Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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35836 Publications

Subsecond thermal processing for nanomaterials and beyond

Skorupa, W.

This talk reviews the advances that subsecond thermal processing in the millisecond range using xenon-filled flash lamps (FLA) brings to the processing of advanced semiconductor materials, thus enabling the fabrication of novel electronic structures and materials. It will be demonstrated how such developments can translate into important practical applications via doping and/or defect engineering. A recent state-of-the-art is published in Ref./1/.
An important issue of our present work is the liquid phase processing in the millisecond range at the surface of solid substrates. A recent example is the controlled formation of III-V nanocrystals (InAs, GaAs) in silicon nanowires after ion beam synthesis /2/, see the contribution of S.Prucnal at this workshop. Further, we prepared coarse grained dendritic crystal structures in thin silicon films on silicon dioxide to show that the addition of carbon prevents the agglomeration of the molten silicon films and largely influences the crystallisation process /3/. We could demonstrate that germanium and silicon exhibit superconductivity at ambient pressure and temperatures in the range of 1-2 K by avoiding Ga clusters after ion implantation and FLA /4/. Regarding photovoltaic applications, we dealt with the ion beam doping and thermal processing of PV silicon demonstrating a distinct improvement of the minority carrier diffusion length compared to rapid thermal processing and furnace treatments /5/. Moreover, we engineered the hydrogen content in photovoltaic silicon in correlation to the phosphorus doping using plasma immersion ion implantation and FLA /6/. Also, we demonstrated FLA driven phosphorus in-diffusion from a surface source /7/.

/1/ W. Skorupa and H. Schmidt: “Subsecond annealing of advanced materials”, Springer Series in Materials Science 192 (2014), ISBN 978-3-319-03131-6.
/2/ S.Prucnal,…,W.Skorupa et al.: “III–V semiconductor nanocrystal formation in silicon nanowires via liquid-phase epitaxy”, Nano Research 7, 1769 (2014); (see also Nano Lett. 11, 2814 (2011)).
/3/ M.Voelskow,…,W.Skorupa et al.: “Formation of dendritic crystal structures in thin silicon films on silicon dioxide by carbon ion implantation and high intensity large area flash lamp irradiation”, J. Cryst. Growth, 388, 70 (2014)
/4/ V.Heera,…,W.Skorupa et al.: “Depth-resolved transport measurements and atom-probe tomography of heterogeneous, superconducting Ge:Ga films”, Supercond.Sc.&Technol. 27, 055025 (2014).
/5/ S.Prucnal,…,W.Skorupa et al.: “Millisecond annealing for advanced doping of dirty-silicon solar cells”, J. Appl. Phys. 111, 123104 (2012).
/6/ F.L. Bregolin,…,W.Skorupa et al.:“Hydrogen engineering via plasma immersion ion implantation and flash lamp annealing in silicon-based solar cell substrates”, J. Appl. Phys. 115, 064505 (2014).
/7/ H.B. Normann,…,W.Skorupa et al.: “Phosphorus in-diffusion from a surface source by millisecond flash lamp annealing for shallow emitter solar cells”, Appl.Phys.Lett. 102, 132108 (2014).

Keywords: flash lamp annealing; thermal processing; ion implantation; semiconductors

  • Invited lecture (Conferences)
    NATO Advanced Research Workshop: "Functional Nanomaterials and Devices for Electronics, Sensors, Energy Harvesting", 13.-16.04.2015, Lviv, Ukraine

Publ.-Id: 22479

Comparative study of defect evolution in carbon implanted strained SiGe and SiSn layers

Gaiduk, P. I.; Hansen, J. L.; Larsen, A. N.; Skorupa, W.

By combining secondary ion-mass spectrometry, transmission-electron microscopy (TEM) and Rutherford-backscattering spectrometry we show that the redistribution of implanted carbon atoms around epitaxially strained Si/SiGe layers results in their accumulation on the Si side and depletion on the SiGe side. On the contrary, uphill diffusion of carbon into SiSn layers takes place in the case of Si/SiSn structures. The TEM study demonstrates formation of dislocation loops, stacking faults and interstitial clusters in the Si/SiGe layers, but elimination of interstitial dislocation loops and suppression of tin precipitates in the Si/SiSn layers. We deduced different evolution of dislocation loops and a precipitate is due to dopant-defect complexes. The complex formation is enhanced by separation of implanted point defects in strain-fields of Si/SiSn and Si/SiGe layers.

Keywords: epitaxially strained Si/SiGe layers; carbon; diffusion; ion implantation

Publ.-Id: 22478

The precession dynamo experiment at HZDR

Giesecke, A.; Gundrum, T.; Herault, J.; Stefani, F.; Gerbeth, G.

In a next generation dynamo experiment currently under development at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) a fluid flow of liquid sodium, solely driven by precession, will be considered as a possible source for magnetic field generation. The experiment is mainly motivated by alternative concepts for astrophysical dynamos that are based on mechanical flow driving. For example, it has long been discussed whether precession may be a complementary power source for the geodynamo (Malkus, Science 1968) or for the ancient lunar dynamo due to the Earth-driven precession of the lunar spin axis (Dwyer, Nature 2011).

We will present the current state of development of the dynamo experiment together with results from non-linear hydrodynamic simulations with moderate precessional forcing. Our simulations reveal a non-axisymmetric forced mode with an amplitude of up to one fourth of the rotation velocity of the cylindrical container confirming that precession provides a rather efficient flow driving mechanism even at moderate precession rates.

More relevant for dynamo action might be free Kelvin modes (the natural flow eigenmodes in a rotating cylinder) with higher azimuthal wave number. These modes may become relevant when constituting a triadic resonance with the fundamental forced mode, i.e., when the height of the container matches their axial wave lengths. We find triadic resonances at aspect ratios close to those predicted by the linear theory except around the primary resonance of the forced mode. In that regime we still identify free Kelvin modes propagating in retrograde direction but none of them can be assigned to a triade.

Our results will enter into the development of flow models that will be used in kinematic simulations of the electromagnetic induction equation in order to determine whether a precession driven flow will be capable to drive a dynamo at all and to limit the parameter space within which the occurrence of dynamo action is most promising.

Keywords: Dynamo; Dresdyn; Precession

  • Poster
    AGU Fall Meeting 2015, 13.-18.12.2015, San Francisco, USA
  • Open Access Logo Contribution to proceedings
    AGU Fall Meeting 2015, 13.-18.12.2015, San Francisco, USA

Publ.-Id: 22477

Targeting of the EGFR/β1 integrin connecting proteins PINCH1 and Nck2 radiosensitizes three-dimensional SCC cell cultures.

Rossow, L.; Eke, I.; Dickreuter, E.; Cordes, N.

Epidermal growth factor receptor (EGFR) signaling plays an important role in tumor cell resistance to therapy. In addition to ligand binding, mutual and cooperative interactions of EGFR with integrin cell adhesion receptors critically influence proper downstream signaling through a number of bridging adapter proteins. In the present study, we analyzed the role of two of these adapter proteins, called PINCH1 and Nck2, for cellular radioresistance in combination with EGFR-targeting using the monoclonal antibody cetuximab. siRNA-mediated knockdown of PINCH1 or Nck2 resulted in enhanced radiosensitivity of 3D grown human squamous cell carcinoma cell lines FaDu (head and neck) and A431 (epidermis) comparable with effects seen after cetuximab treatment. Combination of knockdown and cetuximab did not result in additive nor synergistic effects regarding clonogenic radiation survival. Modifications in MAPK, Akt and FAK phosphorylation occurred upon cetuximab treatment as well as PINCH1 or Nck2 depletion. We further found this tumor cell radiosensitization to be due to attenuated repair of DNA double strand breaks and altered Rad50 and Nbs1 expression but without changes in other DNA repair proteins such as ATM, DNA-PK and Mre11. Our data suggest that the adaptor proteins PINCH1 and Nck2 critically contribute to cellular radioresistance and proper EGFR signaling in 3D lrECM grown human squamous cell carcinoma cells. Further investigations are warranted to identify the intracellular signaling network controlled by EGFR, PINCH1 and Nck2.

Publ.-Id: 22476

Ion beam technology

Fassbender, J.

Overview over ion beam technology at HZDR

  • Invited lecture (Conferences)
    High resolution diagnostics and ion beam technology, 01.-02.10.2015, Bratislava, Slovakei

Publ.-Id: 22474

High-field magnetic behavior and forced-ferromagnetic state in an ErFe11TiH single crystal

Kostyuchenko, N. V.; Zvezdin, A. K.; Tereshina, E. A.; Skourski, Y.; Doerr, M.; Drulis, H.; Pelevin, I. A.; Tereshina, I. S.

The crystal-field and exchange parameters are determined for the single-crystalline hydride ErFe11TiH compound by analyzing the experimental magnetization curves obtained in magnetic fields of up to 60 T. By using the calculated parameters we succeeded in modeling theoretical magnetization curves for ErFe11TiH up to 200 Т and to study in detail the transition from ferrimagnetic to a ferromagnetic state in the appliedmagnetic field.

Publ.-Id: 22473

Enhanced low-energy γ-decay probability - implications for r-process (n,γ) reaction rates

Larsen, A. C.; Guttormsen, M.; Bello-Garrotte, F. L.; Bernstein, L. A.; Bleuel, D. L.; Bracco, A.; Brown, B. A.; Camera, F.; Crespo-Campo, L.; Frauendorf, S.; Goldblum, B. L.; Goriely, S.; Görgen, A.; Hadynska-Klek, K.; Hagen, T. W.; Harissopulos, S.; Kheswa, B. V.; Klintefjord, M.; Leoni, S.; Liddick, S. N.; Moretto, L. G.; Naqvi, F.; Perdikakis, G.; Renstrøm, T.; Rogers, A. M.; Rose, S. J.; Sahin, E.; Schwengner, R.; Siem, S.; Simon, A.; Spyrou, A.; Tveten, G. M.; Voinov, A.; Wiedeking, M.; Utsunomiya, H.

An unexpected enhancement in the average, reduced γ-decay strength at very low -transition energies has been observed in in f p-shell nuclei as well as in the Mo region. Very recently, it has showed up in 138 La, which is, so far, the heaviest nucleus to display this feature. In this work, we present an experimental and theoretical overview of the low-energy enhancement. In particular, experimental evidence for the dipole nature of the enhancement, and shell-model calculations indicating strong, low-energy M 1 transitions are shown. Possible implications of this low-energy enhancement on astrophysical (n,γ ) reaction rates of relevance for the r-process nucleosynthesis are discussed.

Keywords: Nuclear structure; nuclear reactions; gamma strength function; neutron capture; reaction rates

  • Open Access Logo Contribution to proceedings
    14th International Conference on Nuclear Reaction Mechanisms, 15.-19.06.2015, Varenna, Italien
    Proceedings of the 14th International Conference on Nuclear Reaction Mechanisms, Genf: CERN-Proceedings, ISBN 978-92-9083-418-2, 261-266

Publ.-Id: 22472

RF performance results of the 2nd ELBE SRF gun

Arnold, A.; Freitag, M.; Lu, P.; Murcek, P.; Teichert, J.; Vennekate, H.; Xiang, R.; Kneisel, P.; Ciovati, G.; Turlington, L.

An improved SRF gun (ELBE SRF gun II) has been installed and commissioned at HZDR. This new gun replaced the first SRF gun of the ELBE accelerator which had been in operation since 2007. The new gun has an improved 3.5-cell niobium cavity those SRF performances have been studied first with a copper cathode. After the replacement by our standard Cs2Tecathode we observed a tremendous degradation of the cavity gradient paired with an increase of field emission. In this contribution we will report on our in-situ investigations to find the origin and the reason for the particle contamination that happened during the first cathode transfer.

Keywords: SRF gun; photo electron source; injector; ELBE; superconducting RF

  • Poster
    7th International Conference on RF Superconductivity, SRF 2015, 13.-18.09.2015, Whistler, British Columbia, Canada
  • Open Access Logo Contribution to proceedings
    7th International Conference on RF Superconductivity, SRF 2015, 13.-18.09.2015, Whistler, British Columbia, Canada
    Proceedings of the 7th International Conference on RF Superconductivity: Joint Accelerator Conferences Website (JACoW)


Publ.-Id: 22470

Imaging of tumour hypoxia and metabolism in patients with head and neck squamous cell carcinoma.

Zegers, C. M.; van Elmpt, W.; Hoebers, F. J.; Troost, E. G.; Öllers, M. C.; Mottaghy, F. M.; Lambin, P.


Tumour hypoxia and a high tumour metabolism increase radioresistance in patients with head and neck squamous cell carcinoma (HNSCC). The aim of this study was to evaluate the correlation between hypoxia ([18F]HX4 PET) and glucose metabolism ([18F]FDG PET) molecular imaging.

[18F]HX4 and [18F]FDG PET/CT images of 20 HNSCC patients were acquired prior to (chemo)radiotherapy, in an immobilisation mask, with a median time interval of seven days (NCT01347281). Gross tumour volumes of the primary lesions (GTVprim) and pathological lymph nodes (GTVln) were included in the analysis. [18F]FDG PET/CT images were rigidly registered to the [18F]HX4 PET/CT images. The maximum and mean standardised uptake values (SUVmax, SUVmean) within both GTVs were determined. In addition, the overlap was compared between the [18F]HX4 high volume ([18F]HX4 HV) with a tumour-to-muscle ratio > 1.4 and the [18F]FDG high volume ([18F]FDG HV) with an SUV > 50% of the SUVmax. We report the mean± standard deviation.

PET/CT scans including 20 GTVprim and 12 GTVlnwere analysed. There was a significant correlation between several [18F]FDG and [18F]HX4 parameters, the most pronounced being the correlation between [18F]FDG HV and [18F]HX4 HV (R = 0.93, p < 0.001). The fraction of the GTVprim with a high HX4 uptake (9 ± 10%) was on average smaller than the FDG high fraction (51 ± 26%; p < 0.001). In 65% (13/20) of the patients, the GTVprim was hypoxic. In four of these patients the [18F]HX4 HV was located within the [18F]FDG HV, whereas for the remaining nine GTVprim a partial mismatch was observed. In these nine tumours 25 ± 21% (range 5-64%) of the HX4 HV was located outside the FDG HV.

There is a correlation between [18F]HX4 and [18F]FDG uptake parameters on a global tumour level. In the majority of lesions a partial mismatch between the [18F]HX4 and [18F]FDG high uptake volumes was observed, therefore [18F]FDG PET imaging cannot be used as a surrogate for hypoxia. [18F]HX4 PET provides complementary information to [18F]FDG PET imaging.

Publ.-Id: 22469

Weekly kilovoltage cone-beam computed tomography for detection of dose discrepancies during (chemo)radiotherapy for head and neck cancer.

Hermans, B. C.; Persoon, L. C.; Podesta, M.; Hoebers, F. J.; Verhaegen, F.; Troost, E. G.


Use of highly conformal radiotherapy in patients with head and neck carcinoma may lead to under-/overdosage of gross target volume (GTV) and organs at risk (OAR) due to changes in patients' anatomy. A method to achieve more effective radiation treatment combined with less toxicity is dose-guided radiotherapy (DGRT). The aim of this study was to evaluate discrepancies between planned and actually delivered radiation dose in head and neck patients and to identify predictive factors.

In this retrospective analysis, 20 patients with cT2-4 N0-3 M0 carcinoma originating from oropharynx, oral cavity, larynx and hypopharynx (Cohort 1), and seven patients with cT1-4 N0-3 M0 nasopharyngeal carcinoma (Cohort 2) treated with primary (chemo)radiotherapy and undergoing weekly kV-CBCT scans were included. Radiation dose was recalculated on 184 kV-CBCT images, which was quantified by D95% (GTV), Dmean (parotid and submandibular glands) and D2% (spinal cord). Predictive factors investigated for changes in these dose metrics were: gender, age, cT/N-stage, tumor grade, HPV-status, systemic therapy, body mass index at start of treatment, weight loss and volume change over the duration of the radiotherapy.

There was no significant difference between the planned and delivered dose for GTV and OARs of Week 1 to subsequent weeks for Cohort 1. In Cohort 2, actually delivered Dmean to parotid glands was significant higher than planned dose (1.1 Gy, p = 0.002). No clinically relevant correlations between dose changes and predictive factors were found.

Weekly dose calculations do not seem to improve dose delivery for patients with tumors of the oral cavity, oropharynx, larynx and hypopharynx. In patients with nasopharyngeal carcinoma, however, mid-treatment imaging may facilitate DGRT.

Publ.-Id: 22468

Impact of waiting time after surgery and overall time of postoperative radiochemotherapy on treatment outcome in glioblastoma multiforme.

Seidlitz, A.; Siepmann, T.; Löck, S.; Juratli, T.; Baumann, M.; Krause, M.


A time factor of radiooncological treatment has been demonstrated for several tumours, most prominently for head and neck squamous cell carcinoma and lung cancer. In glioblastoma multiforme studies of the impact of postoperative waiting times before initiation of radio- or radiochemotherapy were inconclusive. Moreover analysis of the impact of overall treatment time of radiochemotherapy as well as overall duration of local treatment from surgery to the end of radiochemotherapy is lacking to date.

In this retrospective cohort study, we included 369 consecutive patients treated at our institution between 2001 and 2014. Inclusion criteria were histologically proven glioblastoma multiforme, age ≥ 18 years, ECOG performance status 0-2 before radiotherapy, radiotherapy or radiochemotherapy with 33 × 1.8 Gy to 59.4 Gy or with 30 × 2.0 Gy to 60 Gy. The impact of postoperative waiting time, radiation treatment time and overall duration of local treatment from surgery to the end of radiotherapy on overall (OS) and progression-free (PFS) survival were evaluated under consideration of known prognostic factors by univariate Log-rank tests and multivariate Cox-regression analysis.

The majority of patients had received simultaneous and further adjuvant chemotherapy, mainly with temozolomide. Median survival time and 2-year OS were 18.0 months and 38.9% after radiochemotherapy compared to 12.7 months and 12.6% after radiotherapy alone. Median progression-free survival time was 7.5 months and PFS at 2 years was 14.3% compared to 6.0 months and 3.3%, respectively. Significant prognostic factors in multivariate analysis were age, resection status and application of simultaneous chemotherapy. No effect of the interval between surgery and adjuvant radiotherapy (median 27, range 11-112 days), radiation treatment time (median 45, range 40-71 days) and of overall time from surgery until the end of radiotherapy (median 54, range 71-154 days) on overall and progression-free survival was evident.

Our data do not indicate a relevant time factor in the treatment of glioblastoma multiforme in a large contemporary single-centre cohort. Although this study was limited by its retrospective nature, its results indicate that short delays of postoperative radiochemotherapy, e.g. for screening of a patient for a clinical trial, may be uncritical.

Publ.-Id: 22467

Development of the first pulse powered radiotherapy gantry system for a novel compact laser driven ion beam therapy

Masood, U.; Baumann, M.; Bussmann, M.; Cowan, T. E.; Enghardt, W.; Herrmannsdoerfer, T.; Hofmann, K. M.; Karsch, L.; Kroll, F.; Schramm, U.; Schürer, M.; Wilkens, J. J.; Pawelke, J.

Ion beams due to superior dose profile over photons and electrons may provide higher doseconformity and healthy tissue sparing. But due to high costs and huge size ion beam therapy is limited to a few centers only. A novel ion acceleration process via ultra-intense lasermatter interaction, promises size and cost reduction. However, laser-driven beams are characterized by intense particle bunches with peak dose rates exceeding conventional values by several orders of magnitude, low repetition rate, broad energy spread and large divergence, thus are diverse from conventional beams. This requires new solutions for developing Laser-based Ion Beam Therapy (LIBT) for clinical application. The presented work is a result of an ongoing joint translational research project of several institutions aiming to establish LIBT with protons and shows the status in five main challenges.

Materials and Methods:
I) Laser-based technology has been established, with protons (upto 20 MeV) via 150 TW laser system, for systematic radiobiological studies with human cell-lines and small animals with fixed beamline.
II) For translation towards patient irradiation, increase of proton energy from 20 to 230 MeV by increasing the laser power from 150 TW to ~1 PW is required and in progress.
III) Furthermore, a compact ion beam gantry system is designed based on pulsed magnets (PM), with integrated laser-particle acceleration chamber, novel beam capturing and energy selection system. A new pulsed scanning system for wide beams with broad energies is designed for irradiations with clinical accuracy.
IV) The light-weight iron-less high-field PMs are being developed for gantry realization. These are non-trivial and extremely challenging to design.
V) A new 3D TPS has been developed for new dose delivery and treatment planning strategies for LIBT.

No overall difference in the radiobiological effectiveness between laser-driven and conventional beams was detected to date. Therefore, a comparison of dose plans by treatment planning system is possible to evaluate the features of LIBT. The evaluation of treatment plans shows laser driven broad energetic beams are feasible for clinical application. Our double-achromatic 360° isocentric pulsed gantry design is ~2.5x smaller than conventional gantries (see fig.) and is capable of disperssionless scanning of high acceptance beams through 20x20 cm2 field size. For the realization, PMs have been designed and developed. A pulsed solenoid, for particle capturing and focusing, has been successfully tested at laser-driven beams. A novel 10 T compact pulsed 45° sector magnet has been developed and tested. Also, a pulsed high acceptance quadrupole with 250 T/m gradient is being developed.

LIBT is a promising compact alternative and could change IBT, yet requires substantial development towards clinical application. Supported by German BMBF, no. 03Z1N511 & DFG cluster of excellence MAP.

Publ.-Id: 22466

Multiphoton-induced luminescence and its domain contrast in Mg-doped LiNbO3 and LiTaO3

Reichenbach, P.; Kämpfe, T.; Haußmann, A.; Steudtner, R.; Woike, T.; Eng, L. M.

We investigate the luminescence in a wide bandgap oxide, Mg-doped LiNbO3 and LiTaO3 , with both spectral and temporal resolution, enhancing the insight into the relaxation properties relevant in these materials.

  • Lecture (Conference)
    DPG Frühjahrstagung, 15.-20.03.2015, Berlin, Deutschland

Publ.-Id: 22465

Superparamagnetic behavior of Fe doped InAs prepared by ion implantation and pulsed laser annealing

Yuan, Y.; Sawicki, M.; Cai, H.; Helm, M.; Zhou, S.

Dilute magnetic semiconductors (DMSs) attracted great interests in the last several decades because of their potential for spintronic device [1]. III-V compounds especially GaAs based DMS has recently emerged as the most popular material for this new technology. However, that the low mobility of holes in p-type DMS limits the potential application in semiconductor spintronic devices. Therefore, the searching for n-type DMS is of interest.

The doping of Fe in InAs is attracting research attentions due to the possibility to fabricate n-type diluted magnetic semiconductors [2, 3]. However, the low solubility of Fe in InAs is the most difficulty to achieve InFeAs DMS. In this work, we obtain Fe doped InAs layers by ion implantation and pulsed laser annealing. This approach has shown success for preparing other III-V based DMSs [4, 5]. The formed InFeAs layers are proved to be epitaxial-like on InAs substrates. The prepared InFeAs layers reveal similar magnetic properties independent of their conductivity types. While the samples are lacking of charactersistics of DMS, they appear to be superparamagnetic behavior, revealing such as time-dependent magnetiszation measurements reveal aging and memory effects.

1. T. Dietl et al., Science 287, 1019-1022 (2000)
2. M. Kobayashi et al., Appl. Phys. Lett., 105, 032403(2014)
3. P. Nam Hai et al., Appl. Phys. Lett., 101, 182403 (2012)
4. D. Bürger et al., Phys. Rev. B, 81, 115202 (2010)
5. M. Khalid et al., Phys. Rev. B, 89, 121301(R) (2014)

  • Lecture (Conference)
    EMRS 2015 Fall meeting, 15.-18.09.2015, Warsaw, Poland

Publ.-Id: 22464

Electronic Transport through Au-contacted PEEB

Kelling, J.; Sendler, T.; Erbe, A.; Gemming, S.

Abstract Transport through the organic molecule 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) has been investigated using Density functional Theory (DFT) and the Non-Equilibrium Green's Function (NEGF) approach in order to explain results of experiments employing the mechanically controlled break junction (MCBJ) technique. The molecule was studied with various terminal groups (NH2, SH and CN) which lead to different conductance values when attached to Gold electrodes. The effect of different contact geometries was studied in simulations, allowing predictions on the most likely contact geometries occurring in experiments.

  • Poster
    NanoNet Workshop, 30.09.-02.10.2015, Rathen, Sächsische Schweiz, Deutschland

Publ.-Id: 22463

Electronic Transport through Au-contacted, Thiol-terminated PEEB

Kelling, J.; Sendler, T.; Erbe, A.; Gemming, S.

Transport through the organic molecule 1,4-bis(phenylethynyl)-2,5-bis(ethoxy)benzene (PEEB) with Thiol (SH) terminal groups, contacted by Gold electrodes, has been investigated using Density functional Theory (DFT) and the Non-Equilibrium Green’s Function (NEGF) method. The results confirm the existence of a single-atom contact configuration with unusually high conductance for organic molecules of >0.1G0.

  • Lecture (others)
    NanoNet Workshop, 30.09.-02.10.2015, Rathen, Sächsische Schweiz, Deutschland

Publ.-Id: 22462

Accounting for Spectral History Effects with improved microscopic depletion in DYN3D code

Bilodid, Y.; Kotlyar, D.; Shwageraus, E.; Fridman, E.; Kliem, S.

Nodal diffusion codes such as DYN3D are used routinely for nuclear reactor simulations. These codes obtain homogenized few-group macroscopic reaction cross sections (XS) of coarse-mesh space elements (nodes) from XS-libraries, which are generated using lattice neutron transport codes. The libraries represent the dependence of homogenized XS on operational parameters such as fuel temperature, moderator density, moderator temperature, boron concentration and fuel burnup.

Typically, XS libraries are calculated using a branching procedure in which a 2D fuel assembly is first depleted to a certain burnup using core average operating conditions. Then, the branching calculations are performed at predetermined burnup points for all expected combinations of operating conditions. However, the local operating conditions (moderator density, fuel temperature, control rod presence etc.) in the core nodes may differ significantly from the core average conditions. Therefore, XS generation using a single assembly depletion calculation under core averaged conditions neglects the local variations of the spectrum history and may lead to errors in the XS. In order to account for the local spectrum history effects, a new XS correction method was recently developed and implemented in DYN3D. The method utilizes the local Pu-239 concentration as an indicator of spectral history. Pu-correction was verified in a wide range of spectral conditions. However, it is not able to reproduce fuel reactivity changes due to outage periods.

This paper presents a new hybrid method developed and implemented in DYN3D, which utilizes advantages of both, the micro-depletion correction and Pu-correction. The macroscopic XS are corrected using local concentrations of the most neutronically important nuclides, which are calculated by DYN3D using fast and accurate CRAM method. The isotopic microscopic cross sections and macroscopic transport and scattering XS are corrected applying Pu-correction methodology. General applicability of the proposed method is demonstrated on various fuel types and spectral condition, including BWR and PWR unit cells with UOX and MOX fuel.

Keywords: micro depletion; DYN3D; spectral history

  • Contribution to proceedings
    25th Symposium of AER on VVER Reactor Physics and Reactor Safety, 13.-16.10.2015, Balatongyörök, Hungary
    Proceedings of the 25th Symposium of AER on VVER Reactor Physics and Reactor Safety
  • Lecture (Conference)
    25th Symposium of AER on VVER Reactor Physics and Reactor Safety, 13.-16.10.2015, Balatongyörök, Hungary

Publ.-Id: 22461

Thermal annealing behavior of α-Al2O3 scintillation screens

Lederer, S.; Akhmadaliev, S.; Forck, P.; Gütlich, E.; Lieberwirth, A.; Ensinger, W.

Polycrystalline alumina samples (α-Al2O3, purity: 99.8%) were irradiated by 63Cu heavy ions (E = 0.5 MeV/u) at various fluences. After irradiation, absorption measurements were performed within the wavelength range from 200 to 1000 nm to evaluate color center evolution. Thermal annealing behavior of the created defects was investigated with respect to annealing temperature and duration. Complex color center formation processes depending on particle fluence and temperature could be observed. Calculated activation energies necessary for F- and F+-center migration are ∼0.3 eV for temperatures ranging from RT to ∼673 K.

Keywords: Alumina; Heavy-ion irradiation; Color center; Thermal annealing; Scintillation screens

Publ.-Id: 22460

Bestimmung der Gasphasenverteilung in industriellen Kreiselpumpen unter Nutzung der Gammastrahlentomographie

Neumann, M.

Die vorliegende Arbeit beschäftigt sich mit der quantitativen Bestimmung von Gasphasenverteilungen in industriellen Kreiselpumpen unter Verwendung der hoch auflösenden Gammastrahlentomographie. Die Messgenauigkeit des Tomographiesystems wurde mit einem rotierenden, modularen Messphantom bestimmt, welches entwickelt wurde um verschiedene Gasgehalte und Strukturen nachzubilden. Mit definierten Konfigurationen dieses Phantoms wurde erstmals eine kombinierte Methode zur Aufnahme der Tomographiedaten durchgeführt und validiert. Die anschließenden Untersuchungen einer Kreiselpumpe bei verschiedenen eingespeisten Gasgehalten zeigten einen Einfluss der Eintrittsbedingungen auf die Gasverteilung im Laufrad und somit auf das Betriebsverhalten.

This thesis presents the quantitative determination of gas-phase distributions in an industrial centrifugal pump using high-resolution gamma-ray computed tomography. Measurement accuracy was determined onto a sophisticated and rotated modular test mockup miming various gas fraction distributions and structures. Additionally, combined CT scanning mode was applied for the first time and validated using defined mockup configuration. Furthermore, investigations of the centrifugal pump operated with various gas fractions at the inlet showed a non-negligible influence of the inlet conditions onto the gas-phase distribution inside the impeller wheel and thus the operational behavior.

  • Diploma thesis
    Technische Universität Dresden, 2014
    Mentor: Schäfer, T., Bieberle, A., Hampel, U.
    90 Seiten

Publ.-Id: 22459

An experimental study on the gas entrainment in horizontally and vertically installed centrifugal pumps

Neumann, M.; Schäfer, T.; Bieberle, A.; Hampel, U.

In this work we have studied how gas accumulates in an industrial centrifugal pump under various steady-state two-phase flow conditions. Thereby we considered both horizontal and vertical pump installation positions. Phase fractions within the impeller region of the pump have been quantitatively disclosed using high-resolution gamma-ray computed tomography (HireCT) and applying time-averaged rotation-synchronized CT scanning technique. The study was made for inlet volumetric gas flow rates between 0 % and 5 %. To account for different inlet flow conditions, which are assumed to occur during unwanted gas entrainment by hollow vortices we produced disperse and swirling gas-liquid inlet flow. In this way, the influence of inlet flow boundary conditions on the pump performance as well as gas fraction distributions and gas holdup within the impeller wheel region could be successfully analysed and compared with respect to the impeller alignment. In addition, for the first time, thin gas films at the pressure side of the impeller wheel blades could be visualized in an industrial centrifugal pump.

Keywords: gamma-ray computed tomography; centrifugal pump; gas holdup; two-phase flow

  • Journal of Fluids Engineering - Transactions of the ASME 138(2016)9, 091301
    DOI: 10.1115/1.4033029

Publ.-Id: 22458

Exceptional points, spectral singularities, vector field singularities and discriminant varieties

Günther, U.

Many physically realistic problems can be described in terms of parameter-dependent eigenvalue problems of some non-Hermitian operators, as scattering problems or as dynamical flow problems. A common feature of such problems is the existence of degenerate configurations which can be associated to dynamical bifurcation behavior, spectral branch points or special types of singularities in the scattering matrix. Mathematically, such problems are related to non-diagonalizable spectral operator decompositions (the existence of non-trivial Jordan blocks), multiple eigenvalues and the coalescence of singularities in vector flow fields. In parameter spaces these configurations show up as so called discriminant varieties well known from algebraic geometry and singularity theory. In the talk, the structural interrelation of these effects is demonstrated and illustrated on concrete problems from PT quantum mechanics, optical lasing systems and the Bloch-sphere representation of simple time-dependent quantum mechanical problems.

Keywords: non-Hermitian operators; degenerate configurations; dynamical bifurcation behavior; spectral branch points; spectral singularities; Jordan blocks; multiple eigenvalues; singularity coalescence; discriminant varieties

  • Invited lecture (Conferences)
    Mathematics in Technical and Natural Sciences, 18.-24.09.2015, Koscielisko, Poland

Publ.-Id: 22456

Hamiltonian and dissipative second-order polynomial flows on spheres S^2

Günther, U.; Graefe, E.-M.; Korsch, H.-J.

The dynamics of nondissipative and dissipative autonomous Bose-Hubbard dimers is considered in second-order polynomial approximation as flow dynamics on the Bloch sphere. Special emphasis is laid on the stationary-point and singularity structure of the flows, related underlying algebraic stability features encoded in 10th-order homogeneous polynomials describing algebraic discriminant varieties over 3-dimensional projective parameter spaces. Reduced resolvent techniques, hidden Jordan block structures and relations to singularity theory provide further insights into the dynamics and possibly existing limit cycles.

Keywords: Bose-Hubbard model; dimer; autonomous dynamical system; Bloch Sphere; stationary points; discriminant varieties; reduced resolvent; Jordan blocks; limit cycles

  • Invited lecture (Conferences)
    Quantum (and Classical) Physics with Non-Hermitian Operators (PHHQP13), 12.-16.07.2015, Jerusalem, Israel

Publ.-Id: 22455

The In situ growth of nanostructures on surfaces (INS) endstation of the ESRF BM32 beamline: A combined UHV–CVD and MBE reactor for in situ X-ray scattering investigations of growing nanoparticles and semiconductor nanowires

Cantelli, V.; Geaymond, O.; Ulrich, O.; Zhou, T.; Blanc, N.; Renaud, G.

This paper presents the upgraded `In situ growth of Nanoscructures on Surfaces' (INS) endstation of the InterFace beamline IF-BM32 at the European Synchrotron Radiation Facility (ESRF). This instrument, originally designed to investigate the structure of clean surfaces/interfaces/thin-films by surface X-ray diffraction, has been further developed to investigate the formation and evolution of nanostructures by combining small- and wide-angle X-ray scattering methodologies, i.e. grazing-incidence small-angle X-ray scattering (GISAXS) and grazing-incidence X-ray diffraction (GIXD). It consists of a UHV chamber mounted on a z-axis type goniometer, equipped with residual gas analysis, reflection high-energy electron diffraction (RHEED) and Auger electron spectroscopy (AES) to complete the X-ray scattering investigations. The chamber has been developed so as up to eight sources of molecular beam epitaxy (MBE) can be simultaneously mounted to elaborate the nanostructures. A chemical vapor deposition (CVD) set-up has been added to expand the range of growing possibilities, in particular to investigate in situ the growth of semiconductor nanowires. This setup is presented in some detail, as well as the first in situ X-ray scattering measurements during the growth of silicon nanowires.

Keywords: In situ; nanowires; UHV–CVD; IF-BM32; GIXRD; GISAXS

Publ.-Id: 22454

Application of ion beams to fabricate and tune ferromagnetic semiconductors

Zhou, S.

Combining semiconducting and ferromagnetic properties, ferromagnetic semiconductors have been under intensive investigation for more than two decades. Mn doped III-V compound semiconductors have been regarded as the prototype of ferromagnetic semiconductors from both experimental and theoretic investigations. The magnetic properties of III-V:Mn can be controlled by manipulating free carriers via electrical gating, as for controlling the electrical properties in conventional semiconductors. However, the preparation of ferromagnetic semiconductors presents a big challenge due to the low solubility of Mn in semiconductors. Ion implantation has been developed as a standard method for doping Si in microelectronic industry. In this talk, I will show how ion beams can be used in fabricating and understanding ferromagnetic semiconductors. First, ion implantation followed by pulsed laser melting (II-PLM) provides an alternative to the widely used low-temperature molecular beam epitaxy (LTMBE) approach [1-6]. Both ion implantation and pulsed-laser melting occur far enough from thermodynamic equilibrium conditions. Ion implantation introduces enough dopants and the subsequent laser pulse deposit energy in the near-surface region to drive a rapid liquid-phase epitaxial growth. Going beyond LT-MBE, II-PLM is successful to bring two new members, GaMnP and InMnP, into the family of III-V:Mn. Both GaMnP and InMnP films show the signature of ferromagnetic semiconductors and an insulating behavior. Second, we use helium ion to precisely compensate hole in ferromagnetic semiconductors while keeping the Mn concentration constant [7-9]. By this approach, one can tune the magnetic properties of ferromagnetic semiconductor as well as pattern a lateral structure. It also provides a route to understand how carrier-mediated ferromagnetism is influenced by localization.

[1] M. Scarpula, et al. Phys. Rev. Lett. 95, 207204 (2005).
[2] D. Bürger, S. Zhou, et al., Phys. Rev. B 81, 115202 (2010).
[3] S. Zhou, et al., Appl. Phys. Express 5, 093007 (2012).
[4] M. Khalid et al., Phys. Rev. B 89, 121301(R) (2014).
[5] Y. Yuan, et al, IEEE Trans. Magn. 50, 2401304 (2014).
[6] Y. Yuan, et al. J. Phys. D: Appl. Phys. in press (2015).
[7] Lin Li, et al., J. Phys. D: Appl. Phys. 44 099501 (2011).
[8] Lin Li, et al., Nucl. Instr. Meth. B, 269, 2469-2473 (2011).
[9] S. Zhou, et al. Phys. Rev. B, in revision (2015).

Keywords: Ferromagnetic semiconductors; Ion implantation

  • Invited lecture (Conferences)
    The 2015 E-MRS Fall Meeting, 14.-18.09.2015, Warsaw, Poland

Publ.-Id: 22453

Tomography of the ionospheric electron density with geostatistical inversion

Minkwitz, D.; van den Boogaart, K. G.; Gerzen, T.; Hoque, M.

In relation to satellite applications like global navigation satellite systems (GNSS) and remote sensing, the electron density distribution of the ionosphere has significant influence on trans-ionospheric radio signal propagation. In this paper, we develop a novel ionospheric tomography approach providing the estimation of the electron density's spatial covariance and based on a best linear unbiased estimator of the 3-D electron density. Therefore a non-stationary and anisotropic covariance model is set up and its parameters are determined within a maximum-likelihood approach incorporating GNSS total electron content measurements and the NeQuick model as background. As a first assessment this 3-D simple kriging approach is applied to a part of Europe. We illustrate the estimated covariance model revealing the different correlation lengths in latitude and longitude direction and its non-stationarity. Furthermore, we show promising improvements of the reconstructed electron densities compared to the background model through the validation of the ionosondes Rome, Italy (RO041), and Dourbes, Belgium (DB049), with electron density profiles for 1 day. © Author(s) 2015.

Keywords: electron density; geostatistics; GNSS; inverse problem; ionosphere; kriging; remote sensing; tomography

Publ.-Id: 22452

Comparative XRPD and XAS study of the impact of the synthesis process on the electronic and structural environments of uranium-americium mixed oxides

Prieur, D.; Lebreton, F.; Martin, P. M.; Caisso, M.; Butzbach, R.; Somers, J.; Delahaye, T.

Uranium-americium mixed oxides are potential compounds to reduce americium inventory in nuclear waste via a partitioning and transmutation strategy. A thorough assessment of the oxygen-to-metal ratio is paramount in such materials as it determines the important underlying electronic structure and phase relations, affecting both thermal conductivity of the material and its interaction with the cladding and coolant. In 2011, various XAS experiments on U1(-x)Am(x)O(2 +/-delta) a samples prepared by different synthesis methods have reported contradictory results on the charge distribution of U and Am. This work alleviates this discrepancy. The XAS results confirm that, independently of the synthesis process, the reductive sintering of U1-xAmxO2 +/-delta leads to the formation of similar fluorite solid solution indicating the presence of Am+III and U+V in equimolar proportions.

Keywords: EXFAS; Uranium; Americium; nuclear fuel; transmutation

Publ.-Id: 22451

Ion induced magnetic patterning using chemical disordered induced ferromagnetism

Bali, R.; Wintz, S.; Meutzner, F.; Hübner, R.; Boucher, R.; Ünal, A. A.; Valencia, S.; Neudert, A.; Potzger, K.; Bauch, J.; Kronast, F.; Facsko, S.; Lindner, J.; Fassbender, J.

Certain binary alloys exhibit magnetic properties which heavily depend on their structural order/disorder. For example FeAl is paramagnetic in the chemically ordered B2-phase whereas it shows ferromagnetic behavior if the chemically disordered A2-phase is investigated. We will demonstrate that by means of ion irradiation a phase transition from the chemically ordered to the chemically disordered phase can easily be achieved and that temperature treatment leads to the reverse phase transition.
One of the major advantages of ion irradiation is the fact that the interaction is extremely local and hence nanoscale disorder features can directly be written into an ordered environment. This technology is used to create nanoscale ferromagnetic features in a paramagnetic matrix. The achievable magnetic patterning resolution is determined and the magnetic domains as well as stray fields arising from the nanomagnets are imaged.

R. Bali et al., Nano Lett. 14, 435 (2014).

Keywords: ion irradiation; magnetism; magnetic domains; patterning

  • Invited lecture (Conferences)
    International Conference on Nanostructuring by Ion Beams, 23.-25.11.2015, Agra, Indien

Publ.-Id: 22450

Quasi-two-dimensional Fermi surfaces of the heavy-fermion superconductor Ce2PdIn8

Götze, K.; Klotz, J.; Gnida, D.; Harima, H.; Aoki, D.; Demuer, A.; Elgazzar, S.; Wosnitza, J.; Kaczorowski, D.; Sheikin, I.

We report low-temperature de Haas–van Alphen (dHvA) effect measurements in magnetic fields up to 35 T of the heavy-fermion superconductor Ce2PdIn8. The comparison of the experimental results with band-structure calculations implies that the 4f electrons are itinerant rather than localized. The cyclotron masses estimated at high field are only moderately enhanced, 8m0 and 14m0, but are substantially larger than the corresponding band masses. The observed angular dependence of the dHvA frequencies suggests quasi-two-dimensional Fermi surfaces in agreement with band-structure calculations. However, the deviation from ideal two-dimensionality is larger than in CeCoIn5, to which Ce2PdIn8 bears a lot of similarities. This subtle distinction accounts for the different superconducting critical temperatures of the two compounds.

Publ.-Id: 22449

Ex-Situ Kinetic Investigations of the Formation of the Poly-Oxo Cluster U38

Falaise, C.; Volkringer, C.; Hennig, C.; Loiseau, T.

The ex-situ qualitative study of the kinetic formation of the poly-oxo cluster U38, has been investigated after the solvothermal reaction. The resulting products have been characterized by means of powder XRD and scanning electron microscopy (SEM) for the solid phase and UV/Vis, X-ray absorption near edge structure (XANES), extended X-ray absorption fine structure (EXAFS), and NMR spectroscopies for the supernatant liquid phase. The analysis of the different synthesis batches, stopped at different reaction times, revealed the formation of spherical crystallites of UO2 from t= 3 h, after the formation of unknown solid phases at an early stage. The crystallization of U38 occurred from t=4 h at the expense of UO2, and is completed after t=8 h. Starting from pure uranium(IV) species in solution (t=0–1 h), oxidation reactions are observed with a UIV/UVI ratio of 70:30 for t=1– 3 h. Then, the ratio is inversed with a UIV/UVI ratio of 25/75, when the precipitation of UO2 occurs. Thorough SEM observations of the U38 crystallites showed that the UO2 aggregates are embedded within. This may indicate that UO2 acts as reservoir of uranium(IV), for the formation of U38, stabilized by benzoate and THF ligands. During the early stages of the U38 crystallization, a transient crystallized phase appeared at t=4 h. Its crystal structure revealed a new dodecanuclear moiety (U12), based on the inner hexanuclear core of {U6O8} type, decorated by three additional pairs of dinuclear U2 units. The U12 motif is stabilized by benzoate, oxalates, and glycolate ligands.

Keywords: poly-oxo cluster U38; dodecanuclear cluster U12; XRD; EXAFS; XANES; NMR; SEM; NMR

Publ.-Id: 22448

Formation of Mississippi Valley-type deposits linked to hydrocarbon generation in extensional tectonic settings: Evidence from the Jabali Zn-Pb-(Ag) deposit (Yemen)

Ostendorf, J.; Henjes-Kunst, F.; Mondillo, N.; Boni, M.; Schneider, J.; Gutzmer, J.

Mississippi Valley-type (MVT) Zn-Pb deposits are widely believed to form in compressional tectonic environments, related to gravity-driven fluid flow. Commonly, they are spatially related to hydrocarbon reservoirs in orogenic foreland settings, but the genetic and temporal links between hydrothermal sulfide mineralization, basin evolution and hydrocarbon generation remains tentative in most cases. We have used direct Rb-Sr chronometry of sphalerite to constrain the age of the Jabali MVT deposit, central Yemen, which is located in the well-studied oil-producing Sab´atayn Basin. A Rb-Sr age of 144.0 ± 4.3 Ma for sulfide mineralization obtained from a quantitative geochronological two-component paleomixing model coincides with a well constrained episode of active rifting, oil generation and expulsion in the Sab´atayn Basin during the Upper Jurassic–Lower Cretaceous.

Publ.-Id: 22447

Tumor volume determination: Demands of radiotherapy on modern radiological imaging

Bütof, R.; Krause, M.

Background: The aim of radiotherapy as a local treatment method is the eradication of all vital tumor cells in order to achieve permanent local tumor control. From a clinical point of view this means that a patient suffering from cancer can only be cured if all cancer stem cells as a specific subpopulation within a tumor are eliminated by the treatment. Results: New radiation techniques often employ lower normal tissue doses with less toxicity and/or the possibility to apply higher radiation doses to the target volume. High-resolution imaging is hereby mandatory for precise tumor volume definition as a basis of local tumor control. New developments in the field of bioimaging lead to further perspectives in radiotherapy. Conclusion: By combining anatomical information with biological characteristics of the tumor, additional benefits for treatment planning and outcome can be achieved. Thus, the use of these modern imaging methods to define irradiation target volumes more clearly forms the basis for the application of modern radiation techniques.

Keywords: Bioimaging; Cancer stem cells; Local tumor control; Radiation oncology; Tumor volume

Publ.-Id: 22446

PET-based dose painting in non-small cell lung cancer: Comparing uniform dose escalation with boosting hypoxic and metabolically active sub-volumes.

Even, A. J.; van der Stoep, J.; Zegers, C. M.; Reymen, B.; Troost, E. G.; Lambin, P.; van Elmpt, W.


We compared two imaging biomarkers for dose-escalation in patients with advanced non-small cell lung cancer (NSCLC). Treatment plans boosting metabolically active sub-volumes defined by FDG-PET or hypoxic sub-volumes defined by HX4-PET were compared with boosting the entire tumour.

Ten NSCLC patients underwent FDG- and HX4-PET/CT scans prior to radiotherapy. Three isotoxic dose-escalation plans were compared per patient: plan A, boosting the primary tumour (PTVprim); plan B, boosting sub-volume with FDG >50% SUVmax (PTVFDG); plan C, boosting hypoxic volume with HX4 tumour-to-background >1.4 (PTVHX4).

Average boost volumes were 507±466cm3 for PTVprim, 173±127cm3 for PTVFDG and 114±73cm3 for PTVHX4. The smaller PTVHX4 overlapped on average 87±16% with PTVFDG. Prescribed dose was escalated to 87±10Gy for PTVprim, 107±20Gy for PTVFDG, and 117±15Gy for PTVHX4, with comparable doses to the relevant organs-at-risk (OAR). Treatment plans are available online (

Dose escalation based on metabolic sub-volumes, hypoxic sub-volumes and the entire tumour is feasible. Highest dose was achieved for hypoxia plans, without increasing dose to OAR. For most patients, boosting the metabolic sub-volume also resulted in boosting the hypoxic volume, although to a lower dose, but not vice versa.

Keywords: Dose painting; FDG; HX4; NSCLC; Positron emission tomography; Radiotherapy

Publ.-Id: 22445

Identification of Patient Benefit From Proton Therapy for Advanced Head and Neck Cancer Patients Based on Individual and Subgroup Normal Tissue Complication Probability Analysis.

Jakobi, A.; Bandurska-Luque, A.; Stützer, K.; Haase, R.; Löck, S.; Wack, L. J.; Mönnich, D.; Thorwarth, D.; Perez, D.; Lühr, A.; Zips, D.; Krause, M.; Baumann, M.; Perrin, R.; Richter, C.


The purpose of this study was to determine, by treatment plan comparison along with normal tissue complication probability (NTCP) modeling, whether a subpopulation of patients with head and neck squamous cell carcinoma (HNSCC) could be identified that would gain substantial benefit from proton therapy in terms of NTCP.

For 45 HNSCC patients, intensity modulated radiation therapy (IMRT) was compared to intensity modulated proton therapy (IMPT). Physical dose distributions were evaluated as well as the resulting NTCP values, using modern models for acute mucositis, xerostomia, aspiration, dysphagia, laryngeal edema, and trismus. Patient subgroups were defined based on primary tumor location.

Generally, IMPT reduced the NTCP values while keeping similar target coverage for all patients. Subgroup analyses revealed a higher individual reduction of swallowing-related side effects by IMPT for patients with tumors in the upper head and neck area, whereas the risk reduction of acute mucositis was more pronounced in patients with tumors in the larynx region. More patients with tumors in the upper head and neck area had a reduction in NTCP of more than 10%.

Subgrouping can help to identify patients who may benefit more than others from the use of IMPT and, thus, can be a useful tool for a preselection of patients in the clinic where there are limited PT resources. Because the individual benefit differs within a subgroup, the relative merits should additionally be evaluated by individual treatment plan comparisons.

Publ.-Id: 22444

Regional radiotherapy in high-risk breast cancer: is the issue solved?

Krause, M.; Petersen, C.; Offersen, B. V.; Baumann, M.

Adjuvant radiotherapy is the treatment standard for breast cancer with lymph node metastases after breast-conserving surgery or mastectomy. The inclusion of regional lymph nodes into the treatment volumes has been a question in recent clinical trials. Their impact on treatment standards and open questions is discussed.

Publ.-Id: 22443

Validation of functional imaging as a biomarker for radiation treatment response.

Jentsch, C.; Beuthien-Baumann, B.; Troost, E. G.; Shakirin, G.

Major advances in radiotherapy techniques, increasing knowledge of tumour biology and the ability to translate these advances into new therapeutic approaches are important goals towards more individualized cancer treatment. With the development of non-invasive functional and molecular imaging techniques such as positron emission tomography (PET)-CT scanning and MRI, there is now a need to evaluate potential new biomarkers for tumour response prediction, for treatment individualization is not only based on morphological criteria but also on biological tumour characteristics. The goal of individualization of radiotherapy is to improve treatment outcome and potentially reduce chronic treatment toxicity. This review gives an overview of the molecular and functional imaging modalities of tumour hypoxia and tumour cell metabolism, proliferation and perfusion as predictive biomarkers for radiation treatment response in head and neck tumours and in lung tumours. The current status of knowledge on integration of PET/CT/MRI into treatment management and bioimage-guided adaptive radiotherapy are discussed.

Publ.-Id: 22442

Multivariable normal-tissue complication modeling of acute esophageal toxicity in advanced stage non-small cell lung cancer patients treated with intensity-modulated (chemo-)radiotherapy.

Wijsman, R.; Dankers, F.; Troost, E.; Hoffmann, A.; van der Heijden, E.; de Geus-Oei, L.; Bussink, J.


The majority of normal-tissue complication probability (NTCP) models for acute esophageal toxicity (AET) in advanced stage non-small cell lung cancer (AS-NSCLC) patients treated with (chemo-)radiotherapy are based on three-dimensional conformal radiotherapy (3D-CRT). Due to distinct dosimetric characteristics of intensity-modulated radiation therapy (IMRT), 3D-CRT based models need revision. We established a multivariable NTCP model for AET in 149 AS-NSCLC patients undergoing IMRT.

An established model selection procedure was used to develop an NTCP model for Grade ⩾2 AET (53 patients) including clinical and esophageal dose-volume histogram parameters.

The NTCP model predicted an increased risk of Grade ⩾2 AET in case of: concurrent chemoradiotherapy (CCR) [adjusted odds ratio (OR) 14.08, 95% confidence interval (CI) 4.70-42.19; p<0.001], increasing mean esophageal dose [Dmean; OR 1.12 per Gy increase, 95% CI 1.06-1.19; p<0.001], female patients (OR 3.33, 95% CI 1.36-8.17; p=0.008), and ⩾cT3 (OR 2.7, 95% CI 1.12-6.50; p=0.026). The AUC was 0.82 and the model showed good calibration.

A multivariable NTCP model including CCR, Dmean, clinical tumor stage and gender predicts Grade ⩾2 AET after IMRT for AS-NSCLC. Prior to clinical introduction, the model needs validation in an independent patient cohort.

Keywords: Esophagitis; Intensity-modulated radiation therapy; Non-small cell lung cancer; Predictive models

Publ.-Id: 22441

ThermAc: A Joint Project on Aquatic Actinide Chemistry and Thermodynamics at Elevated Temperature Conditions

Altmaier, M.; Gaona, X.; Endrizzi, F.; Brendler, V.; Steudtner, R.; Franzen, C.; Tsushima, S.; Panak, P. J.; Skerencak-Frech, A.; Hagemann, S.; Brandt, F.; Krüger, S.; Colàs, E.; Grivé, M.; Thoenen, T.; Kulik, D. A.

The ThermAc project aims at extending the chemical understanding and available thermodynamic database for actinides, long-lived fission products and relevant matrix elements in aquatic systems at elevated temperatures.

  • Poster
    Migration 2015, 13.-18.09.2015, Santa Fe, NM, USA

Publ.-Id: 22440

Bulk- und ortsaufgelöste chemische Prozessanalytik in Aufbereitungsprozessen - der steinige Wege zum Erfolg in der Ressourcenanalytik

Renno, A. D.; Rudolph, M.; Schaefer, J.

Der Einsatz chemischer Analysenverfahren zur Überwachung von mineralischen Rohstoffen kann auf eine sehr lange und erfolgreiche Geschichte zurückblicken. Die in den letzten Jahrzehnten stattgefundenen Entwicklungen auf dem Gebiet der chemischen Analytik, insbesondere die verbesserten Möglichkeiten zur Automatisierung und die größere Robustheit einzelner Gerätekomponenten sollten die Einsatzmöglichkeiten in Bergwerken, Aufbereitungsanlagen und metallurgischen Betrieben sehr stark erweitert haben.
Trotzdem liegt der Schwerpunkt der routinemäßig eingesetzten Verfahren zur Zeit bei der off-line Analyse chemischer und mineralogischer Parameter. Neben Bulktechniken kommen insbesondere ortsaufgelöste Verfahren zum Einsatz. Dies sind im Wesentlichen Verfahren der Röntgenfluoreszenzanalyse sowie elektronenstrahlbasierte Verfahren der automatisierten Mineralogie (MLA und QEMSCAN). Im Bereich der Spurenelementanalyse ist dies ICP-MS für die Lösungsanalytik und die Feststoffanalyse (LA-ICP-MS) .
Es wird aufgezeigt, welche Veränderungen in den Bergbau- und Aufbereitungstechnologien notwendig wären, um einen verstärkten Einsatz von in-line Verfahren verbunden mit eventueller Ortsauflösung zu rechtfertigen. Neueste Entwicklungen der Analysentechnik, die großes Potenzial für die Ressourcenanalytik aufweisen, werden vorgestellt.

Keywords: Prozessanalytik

  • Invited lecture (Conferences)
    ANAKON 2015, 23.-26.03.2015, Graz, Österreich

Publ.-Id: 22439

What role can and should play ion beam analytical methods in the context of geometallurgy?

Renno, A. D.; Buchriegler, J.; Dreßler, S.; Freiherr, C.; Le Bras, L.; Munnik, F.; Nowak, S.; Scharf, O.; von Borany, J.; Ziegenrücker, R.

Geochemical analysis in the domain of the value-added chain of mineral raw materials is designed to support purposeful the development and improvement of technologies.
Linking chemical and mineralogical data as well as information about the microstructure of ores and gangue minerals with general and specific models of the respective deposits allows the establishment of efficient input data for a targeted impact on mineral processing and metallurgical technologies. These interrelations describe the scientific subfield of geometallurgy. Classical exploration geochemistry and analytical methods for process control are added among it.
This relevancy to technologies and process control implicates specific requirements on the analytical methods regarding accuracy, precision, traceability, but also on availability, response time and sample throughput.
Ion beam analysis (IBA) has a well-earned reputation of an elaborate and complex analytical method, which is furthermore, difficult and strongly regulated to access. In addition is the treatment of the data ambitious and poorly automatable.
What role can and should IBA play in the context of geometallurgy and process control?
We will answer this question on a selection of examples and methods used and developed at the Helmholtz-Institute Freiberg in close cooperation with the Ion Beam Center of the Helmholtz-Zentrum Dresden-Rossendorf. In detail we will show:
1.) the application of the High-Speed PIXE (particle induced X-ray emission) to determine the lateral distribution of trace elements in large samples like drill cores or rock-chips,
2.) the chemical composition (H – U) of reference materials for microanalytical methods using a combination of PIXE, particle induced gamma emission (PIGE), nuclear reaction analysis (NRA) and Rutherford backscattering spectroscopy (RBS) and
3.) the validation and support of proof of concept and proof of performance procedures of new process analytical methods.

Keywords: Ion Beam Analysis; geometallurgy; PIXE; PIGE

  • Lecture (Conference)
    Geoanalysis 2015, 09.-14.08.2015, Leoben, Österreich

Publ.-Id: 22438

High-Speed PIXE: Fast and laterally resolved elemental analysis over wide areas

Renno, A. D.; Buchriegler, J.; Grenzer, J.; Hanf, D.; Merchel, S.; Munnik, F.; Nowak, S.; Scharf, O.; von Borany, J.; Ziegenrücker, R.

A new PIXE (particle-induced X-ray emission) beamline equipped with a full-field energy-dispersive X-ray camera [1,2] has been recently put into operation at HZDR. The so-called High-Speed PIXE is a combination of a 264 x 264 pixel-detector with polycapillary optics guiding the proton-induced X-ray fluorescence radiation towards a pnCCD-chip with an energy resolution of 156 eV (@Mn-Kα). It allows a fast detection of elements over a field of 12 x 12 mm² simultaneously with a lateral resolution better than 100 µm, even at the trace level (<0.1 at.%). A large vacuum sample chamber containing a high-precision sample manipulator (Figure 1) enables a high throughput of even large and heavy samples.
The new set-up is mainly developed for the investigation of geological samples for resource technology research, e.g. analysis of grain composition and intergrowths or determination of rare earth element distributions. The simultaneous measurement of a big array of pixel enables a fast overview over a large region of the sample with first results becoming visible almost immediately. Together with the PIXE-PIGE (particle-induced gamma-emission) implementation at the classical micro-beamline at HZDR (~3 µm resolution) this new approach allows analysis of most of the elements of interest in mineralogy and resource technology research.
First results concerning lateral resolution and detection limits of geological samples are encouraging. Due to the low background in the PIXE spectra investigation of the lateral distribution of trace elements is possible in unrivalled time.

[1] O. Scharf et al., Anal. Chem., 2011, . 83, 2532.
[2] I. Ordavo et al., NIM A, 2011, . 654, 250.

Keywords: High-Speed PIXE; PIXE

  • Lecture (Conference)
    Workshop für Ionenstrahlen und Nanostrukturen, 22.-24.07.2015, Heidelberg, Deutschland

Publ.-Id: 22437

Design of new 18F-labelled radiopharmaceuticals for brain tumor imaging

Brust, P.

Glioblastoma multiforme is the most aggressive type of primary brain tumor with a median overall survival (OS) of about 12 months. Brain metastases are the most common form of brain tumors and significantly outnumber primary brain tumors, with the majority originating from lung cancer, especially non–small cell lung cancer (NSCLC). Despite aggressive treatment, their prognosis is also poor with a median OS of approximately 7 months after diagnosis. Treatment of those tumors remains one of the most challenging tasks in clinical oncology. Although new molecular pathways in tumor biology are being constantly discovered, translation of basic science achievements into clinical practice is rather slow. Major obstacles in resistance to therapy are heterogeneity of brain tumors, multiple genetic alterations, and their diffuse, infiltrative behaviour. Hence identifying and investigating pathways related to tumor etiology and growth is highly important. Positron emission tomography (PET) offers the potential to identify key signaling pathways in brain tumors involving neurotransmitters and -modulators and to discover drugs which may be used for their therapy.
One of the most important prerequisites for PET is the development and evaluation of radiolabelled ligands in order to investigate brain functions in living human subjects. Fluorine-18 is currently the most favorable radionuclide that is routinely used for radiolabeling because of its half-life of 109.8 min. The use of PET radioligands provides brain images of transport, metabolic and neurotransmission processes on the molecular level. PET is currently the most sensitive and specific method for this type of studies. Through integration of chemical/radiochemical, pharmaceutical/radiopharmaceutical, biochemical and radiopharmacological basic research, computational chemistry and with the aid of nuclear medicine diagnostic new approaches in brain tumor treatment will be made available. The presentation will focus on the strategy of radiotracer development bridging from basic science to biomedical application focusing on targets of major importance for the mentioned tumors such as cannabinoid, sigma and nicotinic alpha7 receptors.

  • Lecture (Conference)
    Cancer-2016, 04.-06.04.2016, Baltimore, Maryland, USA

Publ.-Id: 22436

Spatiotemporal monitoring of geochemical transport processes with Positron Emission Tomography (PET) - a useful tool for CEBAMA partners

Kulenkampff, J.

Es ist kein Abstract vorhanden.

  • Lecture (others)
    IGD-TP 6th Exchange Forum, 03.-04.11.2015, London, Großbritannien

Publ.-Id: 22435

From REE-Enrichment to REE Deposits – An Overview

Möckel, R.; Kempe, U.; Gutzmer, J.

Despite their name, rare earth elements (REE, La–Lu) are not rare. As a matter of fact, they are three orders of magnitude more abundant in the Earth’s Crust than for example gold (e.g. Wedepohl, 1995). Ore-forming processes produce local enrichments in which the concentration of gold may exceed its average crustal abundance by a factor of 1000 – or more. Rare earth elements, in contrast, are widely and evenly disseminated in the Earth’s Crust – they are rarely enriched to form economic concentrations that may then be exploited as ore deposits.
Despite being rather scarce, REE enrichments may form by a number of geological processes. Consequently, a number of classifications exist in literature for REE deposits. Broadly, REE deposits of magmatic affiliation can be distinguished from REE deposits of hydrothermal and sedimentary origin. The latter include marine (heavy mineral) placer deposits, residual ion adsorption clays (IACs) as well as highly REE-enriched lateritic caprocks developed at the expense of REE-enriched protoliths. Magmatic deposits include, most importantly, REE enrichment in igneous rocks such as alkaline to peralkaline and carbonatite rocks, as well as rare metal enriched pegmatites. The least common type of REE deposit is of hydrothermal origin, including monazite and/or xenotime-rich vein and breccia-type mineralization. Combinations of above-mentioned ore-forming processes are known or under discussion (e.g. Drew et al. 1990, Dostal et al. 2014, Kempe et al. 2015), resulting in complex mineralisation styles, complex mineral assemblages and multi-stage paragenetic sequences. It is therefore not surprising that the assignment to one or another type is ambiguous in some cases.
Despite obvious genetic complexity and a multitude of ore-forming environments, more than 90% of the world’s recent REE production stems from (virtually) monomineralic ores, including the Bayan Obo deposit (China), the Mountain Pass deposit (USA) and the Mt. Weld deposit (Australia). The former two are pristine magmatic carbonatites, whereas the latter is a lateritic deposit formed by enrichment of a carbonatite intrusion (Long et al. 2010). Bastnaesite, a REE-fluoride-carbonate, is the only important ore mineral at Mountain Pass, monazite, a REE phosphate clearly predominates at Mt. Weld, whereas both of these common REE-minerals are widespread at Bayan Obo.
REE mineral-bearing placer deposits are well known in the marine environment. They always contain monazite as the quantitatively most important REE-mineral, with xenotime, a Y-HREE phosphate closely related to monazite, a distant second. Such placer deposits are, however, currently only exploited for REE in India.
Needless to say, all of the deposit types described above are highly enriched only in light REE (LREE), whereas the highly coveted heavy REE (HRREE) are present only in very minor concentrations. HREE are mostly extracted from ion adsorption clay deposits in southern China. These deposits are the product of intensive chemical weathering of only mildly REE-enriched granites in a warm and humid climate. REE are remobilized during weathering and adsorbed to the surface of clay minerals. There are thus no clear REE minerals present – and exploitation is by in-situ leaching rather than conventional mining (Orris & Grauch, 2002).
Because demand in particular for HREE for high tech applications is rapidly increasing, other REE occurrences with more exotic and more complex mineralogies have been have recently come into focus. This includes alkaline igneous complexes, e.g., in Russia (Lovozero), Canada (Strange Lake, Thor Lake), Sweden (Norra Kärr) and several localities in Greenland. Some of these deposits are hydrothermally altered, leading to considerable increase of REE contents and other valuable elements. Such processes of hydrothermal alteration do not only result in an increase of REE concentration, also a complex assemblage of REE minerals (e.g. Kempe et al. 2015).


Dostal, J., Kontak, D.J. and Karl, S.M. (2014): The early jurassic Bokan Mountain peralkaline granitic complex (southeastern Alaska): Geochemistry, petrogenesis and rare-metal mineralization. Lithos 202–203:395–412
Drew, L.J., Qingrun, M. and Weijun, S. (1990): The Bayan Obo iron-rare-earth-niobium deposits, Inner Mongolia, China. Lithos 26:43–65
Kempe, U., Möckel, R., Grauner, T. Kynicky, J. and Dombon, E. (2015): The genesis of Zr-Nb-REE mineralisation at Khalzan Buregte (Western Mongolia) reconsidered. Ore Geology Reviews 64: 602–625
Long, K.R., Van Gosen, B.S., Foley, N.K. and Cordier, D. (2010): The principal rare earth element deposits of the United States – A summary of domestic deposits and a global perspective. USGS Scientific Investigations Report 2010-5220
Orris, G.J. and Grauch, R.I. (2002): Rare earth element mines, deposits, and occurences. USGS Open-File Report 02-189
Wedepohl, K.H. (1995): The composition of the continental crust, Geochimica et Cosmochimica Acta, 59(7):1217–1232

Keywords: rare earth elements

  • Invited lecture (Conferences)
    AREE 2015 - Analysis of Rare Earth Elements Methods and Applications International Colloquium and Exhibition, 05.-06.10.2015, Kleve, Deutschland

Publ.-Id: 22434

Measurement and modelling of reactive transport in geological barriers for nuclear waste containment

Xiong, Q.; Joseph, C.; Schmeide, K.; Jivkov, A. P.

Compacted clays are considered as excellent candidates for barriers to radionuclide transport in future repositories for nuclear waste due to their very low hydraulic permeability. Diffusion is the dominant transport mechanism, controlled by a nano-scale pore system. Assessment of the clays’ long-term containment function requires adequate modelling of such pore systems and their evolution. Existing characterisation techniques do not provide complete pore space information for effective modelling, such as pore and throat size distributions and connectivity. Special network models for reactive transport are proposed here using the complimentary character of the pore space and the solid phase. This balances the insufficient characterisation information and provides the means for future mechanical-physical-chemical coupling. The anisotropy and heterogeneity of clays is represented using different length parameters and percentage of pores in different directions. Resulting networks are described as mathematical graphs with efficient discrete calculus formulation of transport. Opalinus Clay (OPA) is chosen as an example. Experimental data for the tritiated water (HTO) and U(VI) diffusion through OPA are presented. Calculated diffusion coefficients of HTO and uranium species are within the ranges of the experimentally determined data in different clay directions. This verifies the proposed pore network model and validates that uranium complexes are diffusing as neutral species in OPA. In the case of U(VI) diffusion the method is extended to account for sorption and convection. Rather than changing pore radii by coarse grained mathematical formula, physical sorption is simulated in each pore, which is more accurate and realistic.

Keywords: Reactive transport; pore network model; Opalinus Clay; pore shapes

Publ.-Id: 22433

Analysis of buoyancy-driven flow in the ROCOM test facility

Feng, Q.; Bieder, U.; Höhne, T.

Mixing of coolant with different boron content and/or different temperature in the primary system of pressurized water reactors (PWR) plays an important role during normal operation and under accident conditions [1]. In emergency core cooling (ECC) situations after a loss of coolant accident, cold ECC water is injected into the hot water of the cold leg and downcomer. Temperature distributions near the wall and temperature gradients in time are important to be known for the assessment of thermal stresses (Pressurized Thermal Choc).
Numerous experiments were realized in the test facility ROCOM of the Helmholz Zentrum Dresden-Rossendorf, Dresden, Germany, ([2], [3]) to investigate the effects of density differences between the primary loop inventory and the ECC water on the mixing in the downcomer. The mass flow rate in the hot leg was varied between 0 and 15% of the nominal flow rate, to keep it at the order of magnitude of natural circulation flow. The density differences between ECC and loop water were varied between 0 and 10% in order to simulate cold water injection. In 2005, an experiment with 5% flow rate in loop 1 and 10% density difference between ECC and loop water were compared to CFD calculations with Trio_U [1]. The Froude number is Fr=0.366, which is labelled as density-dominated. The same experiment is analyzed here with the TrioCFD code, taking into account 10 years of code and hardware development.

Keywords: ROCOM; Mixing; RPV

  • Contribution to proceedings
    IYNC2016 - International Youth Nuclear Congress, 24.-30.07.2016, Hangzhou, China
  • Open Access Logo Energy Procedia 127(2017), 44-53
    DOI: 10.1016/j.egypro.2017.08.062

Publ.-Id: 22432

Mineralogija rud nefelina glubokich gorizontov Kija-Šaltyrskogo mestoroždenija

Shalisman, T.

In the framework of the thesis several minerals were analyzed in the Helmholtz-Institute Freiberg and in the Helmholtz-Zentrum Dresden-Rossendorf. The used methods are Mineral Liberation Analysis (MLA), Electron probe micro analysis (EPMA) and Particle Induced X-ray Analysis (PIXE). The data were interpreted and compared to published mineralogical, petrographical and geochemical data.

Keywords: Nepheline ore; Kiya Shaltyr; Siberia; Mineral Liberation Analysis; EPMA; PIXE

  • Diploma thesis
    Siberian Federal University, 2015
    Mentor: Prof. A.M. Sazonov, Prof. S.I. Leont'ev, Dr. Axel Renno
    89 Seiten

Publ.-Id: 22430

Petrografija i petrochimija glubokich gorizontov Kija-Šaltyrskogo mestoroždenija nefelina

Iakovleva, E.

Das Ergebnis der Untersuchungen ist eine petrographische Beschreibung der Hauptgesteinstypen und ihrer petrochemischen Besonderheiten. Des weiteren wird die Verteilung dieser Gesteinstypen in der Lagerstätte sowie die Verteilung der salischen und mafischen Komponenten im Detail beschrieben und statistisch ausgewertet. Dies ermöglichte die Erarbeitung eines Modells der einzelnen Erzkörper in der Lagerstätte. Ein genetisches Modell sowie Vorschläge zur Abbauführung wurden erarbeitet.

Keywords: Petrography; nepheline ore; Kiya Shaltyr; Siberia

  • Diploma thesis
    Siberian Federal University, 2015
    Mentor: Prof. A.M. Sazonov, Prof. S.I. Leont'ev, Dr. Axel Renno
    104 Seiten

Publ.-Id: 22429

Expect the unexpected – automated mineralogical analysis of secondary raw materials

Dreßler, S.; Bachmann, K.; Haser, S.; Heinig, T.; Schaefer, J.; Scharf, O.

Secondary raw materials are becoming increasingly more important in ensuring the stability of critical metal supply. Ashes, slags, dusts and other industrial residues are produced in large quantities.
Precise and accurate chemical and mineralogical data, knowledge of distribution of valuable and deleterious elements in the single phases as well as information about homogeneity and grain size distribution of the minerals are crucial for the development of new extraction technologies.
Gaining these essential information can be achieved by using SEM-based, X-ray-based and Proton-induced methods of automated mineralogical analysis.
However, the large particle size range, the dominance of very small grain sizes (< 5 µm) and the diversity of phases are challenging for such types of analysis. Furthermore, in contrast to natural materials the analysis of secondary materials faces the challenge of developing new methods for non-natural extreme combinations of elements and phases. Initial results of ash and slag samples done with the MLA (electron-based), the High-Speed PIXE (Particle Induced X-Ray Emission) and a the new XRF Mine Analyzer (X-Ray Fluorescence) will be presented and evaluated.

Keywords: Automated Mineralogy; Secondary Raw Materials; MLA; High-Speed PIXE; XRF Mine Analyzer

  • Invited lecture (Conferences)
    VII International Congress & Exhibition “NON-FERROUS METALS and MINERALS”, 14.-17.09.2015, Krasnoyarsk, Russland

Publ.-Id: 22428

Analysis of the coolant density reactivity coefficient in LFRs and SFRs via Monte Carlo perturbation/sensitivity

Aufiero, M.; Fratoni, M.; Fridman, E.; Lorenzi, S.

The coolant density coefficient represents one of the main reactivity feedback in Lead-cooled Fast Reactors (LFRs) and Sodium-cooled Fast Rectors (SFRs), and its accurate calculation is important for a correct evaluation of the dynamic of these systems. Coolant density reactivity maps have been calculated in the past adopting perturbation theory in deterministic codes. Usually, full-core simulations employed multi-group diffusion codes or 2D (r, z) geometrical approximations. Nowadays, Monte Carlo neutron transport simulations are commonly adopted for the study of LFR and SFR. Nonetheless, reactivity feedback is usually calculated via direct perturbations, i.e., comparing the effective multiplication factor of two separate Monte Carlo runs. When small effects are to be investigated via the direct perturbation approach, the adoption of either large system perturbations or a large number of simulated particles is required, in order to reduce the statistical errors. Moreover, if spatial maps of coolant density reactivity coefficient are to be generated via direct perturbation, one criticality source Monte Carlo simulation is required for each spatial region. In this view, the sensitivity/perturbation method offer the advantage of producing a large number of sensitivity coefficients is a single calculation. More important, this approach allows decomposing reactivity effects by energy and reaction for a deeper investigation of the feedback. In this work, two LFR and SFR core designs are considered, focusing on the calculation and analysis of the coolant density reactivity coefficient. The space-dependent lead and sodium density reactivity worth are calculated adopting the sensitivity/perturbation capabilities recently implemented in an extended version of the Serpent-2 code , previously adopted for the calculation of coolant void maps . The present work focuses on the validation of the sensitivity/perturbation results against direct perturbation calculations, on the analysis of the optimal parameters to be adopted for the simulations and on the discussion of the peculiar results obtained for the two considered cases.

  • Contribution to proceedings
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA
    Proceedings of PHYSOR 2016

Publ.-Id: 22427

Axial fuel rod expansion model in nodal code DYN3D for SFR application

Nikitin, E.; Fridman, E.

The nodal diffusion code DYN3D (Grundmann et al., 2000, 2005) is under extension for Sodium cooled Fast Reactor (SFR) application. As a part of the extension new models for thermal expansion reactivity feedbacks are needed. One of these is the reactivity feedback of the axial fuel rod expansion, which is dependent on local temperatures. The difficulty in the modeling of this effect with nodal codes can be attributed to the inflexibility of the nodal mesh i.e. all nodes in a same axial layer have to be of an identical height. This restricts the modeling to a simplified case of the radially uniform axial expansion.

In this study a new model for the treatment of axial fuel rod expansions was developed and implemented in DYN3D. The idea of the model was to preserve the axial size of the nodes and to account for the axial expansion effects by manipulation of homogenized few-group cross sections (XS). In this way the rigid nodal discretization can remain unchanged, and each node can be treated separately depending on its degree of expansion. The model recombines (“mixes”) the XS for the affected nodes, depending on the contribution of the expanded materials inside of the node.

Keywords: Thermal expansion; SFR; Monte Carlo; Serpent; Nodal diffusion method; DYN3D

  • Contribution to proceedings
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA
    Proceedings of PHYSOR 2016
  • Lecture (Conference)
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA

Publ.-Id: 22425

Microscopic depletion with the correction of microscopic cross sections in nodal diffusion code DYN3D

Bilodid, Y.; Kotlyar, D.; Shwageraus, E.; Fridman, E.; Kliem, S.

Nodal diffusion codes are used routinely for nuclear reactor simulations. The homogenized few-group macroscopic reaction cross sections (XS) for the nodal codes are generated beforehand in single assembly calculations using the lattice neutron transport codes. Usually core- and cycle-averaged operational conditions (coolant density, fuel temperature, boron concentration, etc.) and nominal power are utilized for a single assembly depletion simulation, and the variations of operational conditions are used for branching calculations.
The spectral conditions of single assembly depletion differ from local conditions in a real reactor core. Deviation of local spectral history from core-averaged values leads to deviations in fuel nuclide content and thus influences macroscopic cross sections. Dependence of XS on spectral history is taken into account by various methods: micro-depletion (Bahadir et al., 2005), Pu-correction (Bilodid and Mittag, 2010), spectral indexes (Baturin and Vygovskii, 2001) and exposure-weighted operational parameters (Bahadir et al., 2005).
DYN3D is a 3D nodal reactor dynamic code developed at the Helmholtz-Zentrum Dresden-Rossendorf mainly for transients, but also for steady-state and fuel cycles analysis in LWR cores with hexagonal or square fuel assemblies (Grundmann et al., 2005). Spectral history effects are taken into account in DYN3D by the Pu-correction method (Bilodid and Mittag, 2010). However it is not able to reproduce fuel reactivity changes due to outage periods.
In this work the modified microscopic depletion methodology was proposed and implemented in DYN3D. The most important innovations are: a.) correction of microscopic cross sections, scattering matrix, diffusion coefficients and kinetic parameters using local fissile content and, b.) the depletion solver which utilizes fast and accurate Chebyshev rational approximation method (CRAM).
The use of the CRAM (Gonchar and Rakhmanov, 1989, Pusa, 2011) in depletion solver allows to accurately calculate concentrations of all nuclides, which are present in nuclear fuel in considerable amounts. In the shown test cases about 1100 nuclides were considered in DYN3D, in contrast to about 50 nuclides considered in codes like SIMULATE and ANC.
In DYN3D depletion solver, the number of considered nuclides is chosen by user according to the task of simulation. This research has shown that about 80 nuclides (out of considered 1100) actually are important from neutronics point of view. However, for an accurate tracking of these 80 important nuclides it is necessary to consider all intermediate nuclides in transmutation chains, which results in significantly larger nuclide inventory (>300). On the other hand, knowledge of the full nuclide content can be used for realistic decay heat and radiotoxicity calculation.
In this work Serpent (Leppänen et al., 2014) continuous energy Monte Carlo neutron transport code with JEFF-3.1 isotopic library was used to obtain reference solutions for the examined test cases and to generate homogenized macro- and microscopic cross sections for DYN3D.

  • Contribution to proceedings
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA
    Proceedings of PHYSOR 2016
  • Lecture (Conference)
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA

Publ.-Id: 22424

High Conversion Th-U233 fuel for current generation of PWRs: fuel cycle considerations

Baldova, D.; Fridman, E.; Shwageraus, E.

In our previous studies we reported on a high conversion (HC) Th-U233 fuel design for current generation of PWRs (Baldova et al., 2014a, 2014b). In (Baldova et al., 2014a), HC seed-blanket (SB) Th-U233 fuel assembly design options were presented and investigated. In (Baldova et al., 2014b), the overall operational feasibility of the design was assessed based on the 3D coupled neutronic, thermal-hydraulic (T-H), and burnup analysis of a PWR core fully loaded with HC Th-U233 fuel. This included estimation of fuel cycle length, critical boron concentration (CBC), maximum achievable power density levels, conversion performance as well as evaluation of reactivity coefficients and a number of safety related T-H parameters.
The current paper deals with a number of fuel cycle aspects associated with the use of HC Th-U233 fuel in PWRs.

  • Contribution to proceedings
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA
    Proceedings of PHYSOR 2016
  • Lecture (Conference)
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA

Publ.-Id: 22423

Spectrum Indexes and Minor Actinides measurements in several fast lead cooled VENUS-F zero power critical cores

Kochetkov, A.; Krasa, A.; Wagemans, J.; Bianchini, A. G.; Doligez, G. X.; Firpo, G.; Fridman, E.; Sarotto, M.

Accelerator Driven systems (ADS) along with traditional fast reactors are under study as a possible mean to transmute minor actinides (MA) and long lived fission products (LLFP). The Fast Reactor Experiments for hybrid Applications (FREYA [1]) European FP7 project was launched in 2011 to support the designs of the ADS MYRRHA [2] and lead fast reactor (LFR) ALFRED [3]. The main aim of the FREYA project is to validate reactivity monitoring methods in sub-critical cores, but essential efforts were also devoted to the validation of MA data in several VENUS-F zero power critical assemblies simulating LFR and MYRRHA critical cores. In these critical VENUS-F assemblies, fission rate ratios of MA such as Np-237, Am-241 as well as Pu-239, Pu-240, Pu-242 and U-238 to U-235 were measured using calibrated fission chambers. The measurements were analyzed using advanced computational tools including deterministic and stochastic codes and recent nuclear data sets. The C/E results of these fission rate ratios in several fast neutron lead cooled VENUS-F zero power assemblies are presented and discussed.

  • Contribution to proceedings
    PHYSOR 2016, 01.-05.05.2016, Sun Valley, ID, USA
    Proceedings of PHYSOR 2016

Publ.-Id: 22422

Proteins as new components for funktionalizing textile surfaces

Sallat, M.; Schwarzmann, Y.; Weinert, U.; Günther, T.; Raff, J.

By application of bacterial surface proteins (S-layer proteins) new options of functionalizing textile surfaces are offered. Based on their intrinsic property to reorganize very regularly on surfaces of different materials even after isolation (depending on basic conditions) the S-layer proteins offer new ways to structure textile surfaces in both nano and micro scale.
Within a R&D project both the application of S-layer proteins on textile surfaces and the subsequent functionalization of these protein coated textile surfaces were investigated. Nonwovens with different chemical composition were coated with S-layer proteins and then

  • antimicrobially functionalized with silver nano particles,
  • catalytically activated with palladium nano particles,
  • hydrophilically functionalized with polyurethane or carboxylic acid based chemicals,
  • oleophobically functionalized with fluorocarbons and
  • coated with polyurethane.

The results of this work will be presented.

Keywords: textile surfaces; s-layer; nanoparticles

  • Lecture (Conference)
    Aachen-Dresden International Textile Conference, 26.-27.11.2015, Aachen, Deutschland

Publ.-Id: 22421

Numerical investigation of severe slugging under conditions of a parabolic trough power plant with direct steam generation

Hoffmann, A.; Hirsch, T.; Pitz-Paal, R.

The present study reveals a numerical investigation of severe slugging with the system code ATHLET. It is aimed to close knowledge gaps about the two-phase flow within the connection pipes of two adjacent collectors in a solar thermal power plant with direct steam generation. The underlying ATHLET model provides a one-dimensional 6 equation model with a mass, momentum and energy equation for each phase, respectively. This comprehensive model provides all features for the examination of water steam flows in this type of power plants. A validation of ATHLET for severe slugging conditions is performed and the results are in good agreement with experimental data. The probability of severe slugging is studied for numerous flow conditions and geometric conditions which are close to operation conditions and piping system at the DISS test facility at the Plataforma Solar de Almería, Spain. The results confirm that certain conditions prevent severe slugging in the DISS test facility. Especially, high pressure conditions are the reason for a stable operation. No severe slugging is observed at pressures P ≥ 30 bar in the simulations of a typical geometry of the DISS test facility.

Keywords: severe slugging; parabolic trough; direct steam generation; ATHLET

Publ.-Id: 22420

Evaluation of in vivo quantification accuracy of the Ingenuity-TF PET/MR

Maus, J.; Schramm, G.; Hofheinz, F.; Oehme, L.; Lougovski, A.; Petr, J.; Platzek, I.; Beuthien-Baumann, B.; Steinbach, J.; Kotzerke, J.; van den Hoff, J.

Purpose: The quantitative accuracy of standardized uptake values (SUVs) and tracer kinetic uptake parameters in patient investigations strongly depends on accurate determination of regional activity concentrations in positron emission tomography (PET) data. This determination rests on the assumption that the given scanner calibration is valid in vivo. In a previous study, we introduced a method to test this assumption. This method allows to identify discrepancies in quantitative accuracy in vivo by comparison of activity concentrations of urine samples measured in a well-counter with activity concentrations extracted from PET images of the bladder. In the present study, we have applied this method to the Philips Ingenuity-TF PET/MR since at the present stage, absolute quantitative accuracy of combined PET/MR systems is still under investigation.
Methods: Twenty one clinical whole-body F18-FDG scans were included in this study. The bladder region was imaged as the last bed position and urine samples were collected afterward. PET images were reconstructed including MR-based attenuation correction with and without truncation compensation and 3D regions-of-interest (ROIs) of the bladder were delineated by three observers. To exclude partial volume effects, ROIs were concentrically shrunk by 8–10 mm. Then, activity concentrations were determined in the PET images for the bladder and for the urine by measuring the samples in a calibrated well-counter. In addition, linearity measurements of SUV vs singles rate and measurements of the stability of the coincidence rate of “true” events of the PET/MR system were performed over a period of 4 months.
Results: The measured in vivo activity concentrations were significantly lower in PET/MR than in the well-counter with a ratio of the former to the latter of 0.756±0.060 (mean ± std. dev.), a range of 0.604–0.858, and a P value of 3.9·10−14. While the stability measurements of the coincidence rate of “true” events showed no relevant deviation over time, the linearity scans revealed a systematic error of 8%–11% (avg. 9%) for the range of singles rates present in the bladder scans. After correcting for this systematic bias caused by shortcomings of the manufacturers calibration procedure, the PET to well-counter ratio increased to 0.832±0.064 (0.668–0.941), P = 1.1·10−10. After compensating for truncation of the upper extremities in the MR-based attenuation maps, the ratio further improved to 0.871±0.069 (0.693–0.992), P = 3.9·10−8.
Conclusions: Our results show that the Philips PET/MR underestimates activity concentrations in the bladder by 17%, which is 7 percentage points (pp.) larger than in the previously investigated PET and PET/CT systems. We attribute this increased underestimation to remaining limitations of the MRbased attenuation correction. Our results suggest that only a 2 pp. larger underestimation of activity concentrations compared to PET/CT can be observed if compensation of attenuation truncation of the upper extremities is applied. Thus, quantification accuracy of the Philips Ingenuity-TF PET/MR can be considered acceptable for clinical purposes given the ±10% error margin in the EANM guidelines. The comparison of PET images from the bladder region with urine samples has proven a useful method. It might be interesting for evaluation and comparison of the in vivo quantitative accuracy of PET, PET/CT, and especially PET/MR systems from different manufacturers or in multicenter trials.

Keywords: PET/MR; quantitative evaluation; in vivo; quantification accuracy; truncation compensation

Publ.-Id: 22419

Correlation between Fermi surface transformations and superconductivity in the electron-doped high-Tc superconductor Nd2−xCexCuO4

Helm, T.; Kartsovnik, M. V.; Proust, C.; Vignolle, B.; Putzke, C.; Kampert, E.; Sheikin, I.; Choi, E.-S.; Brooks, J. S.; Bittner, N.; Biberacher, W.; Erb, A.; Wosnitza, J.; Gross, R.

Two critical points have been revealed in the normal-state phase diagram of the electron-doped cuprate superconductor Nd2−xCexCuO4 by exploring the Fermi surface properties of high-quality single crystals by high-field magnetotransport. First, the quantitative analysis of the Shubnikov-de Haas effect shows that the weak superlattice potential responsible for the Fermi surface reconstruction in the overdoped regime extrapolates to zero at the doping level xc = 0.175 corresponding to the onset of superconductivity. Second, the high-field Hall coefficient exhibits a sharp drop right below optimal doping xopt = 0.145 where the superconducting transition temperature is maximum. This drop is most likely caused by the onset of long-range antiferromagnetic ordering. Thus the superconducting dome appears to be pinned by two critical points to the normal state phase diagram.

Publ.-Id: 22418

Liquid Metal Modelling Of Flow Phenomena In The Continuous Casting Process Of Steel

Timmel, K.; Willers, B.; Wondrak, T.; Röder, M.; Shevchenko, N.; Eckert, S.; Gerbeth, G.

The quality of the produced steel in the continuous casting process is significantly governed by the melt flow in the mold. However, direct flow measurements in liquid metals are still rather scarce. In order to investigate these flow phenomena, three experimental facilities operating with low melting liquid metals were installed at Helmholtz-Zentrum Dresden-Rossendorf (HZDR). The melt flow in the models is measured by the Ultrasonic Doppler Velocimetry (UDV) or the Contactless Inductive Flow Tomography (CIFT), multi-phase flows can be visualized by X-ray imaging. The obtained measurement results are primarily used for validation of numerical models.
In this paper we will investigate the fluid flow in the mold and the behavior of the surface of the liquid metal using flow measurements by UDV and surface profile measurement by a laser scanner, respectively. Strong fluctuations and deviations of the free surface were observed in case of a static magnetic field.

Keywords: Continuous Casting; liquid metal model; electro-magnetic flow control; Argon injection; flow measurement

  • Lecture (Conference)
    2016 TMS Annual Meeting & Exhibition, 14.-18.02.2016, Nashville (Tennessee), USA
  • Contribution to proceedings
    2016 TMS Annual Meeting & Exhibition, 14.-18.02.2016, Nashville (Tennessee), USA
    EPD Congress 2016, Warrendale, PA 15086-7514 USA: TMS - The Minerals, Metals and Materials Society, 978-1-119-22578-2, 19-26
    DOI: 10.1002/9781119274742.ch3

Publ.-Id: 22417

Precise nuclear reaction data for solar fusion ...and the Felsenkeller laboratory in Dresden

Bemmerer, D.

Precise data for the solar neutrino fluxes from the decays of beryllium-7 (5% error) and boron-8 (3% error) have opened a new era for the study of solar fusion. In a stunning reversal, solar neutrino fluxes now have lower uncertainties than solar model inputs. Thus, the logical next step is to bring the relevant laboratory nuclear data to a level of precision matching the neutrino data. The relevant energies are far below the repulsive Coulomb barrier of the interacting nuclei for the case of solar fusion reaction. This leads to very low nuclear reaction cross sections, so that relevant data can only be taken in a low-background environment underground, shielded from cosmic ray background. The talk will review recent progress in the field of solar fusion reactions and give an outlook on future work at the upcoming Felsenkeller underground accelerator lab in Dresden, Germany. At Felsenkeller, in spring 2016 a high-current 5 MV accelerator will be placed in an underground laboratory, where the cosmic ray muon flux is suppressed by a factor of 40. This new laboratory will enable uniquely sensitive experiments to study solar fusion and other astrophysically relevant nuclear reactions.

Keywords: Underground nuclear astrophysics; solar fusion; solar neutrinos; Felsenkeller

  • Invited lecture (Conferences)
    Kolloquium KIS, 25.06.2015, Freiburg, Deutschland

Publ.-Id: 22416

Progress of the Felsenkeller shallow-underground 5 MV accelerator for nuclear astrophysics

Bemmerer, D.; Zuber, K.

In the case of astrophysically important reactions, cross section measurements at or near the Gamow energy require high-intensity accelerators, long running times of typically one year per experiment, and ultra low background [1]. The highly successful LUNA 0.4MV accelerator in Gran Sasso, Italy, has pioneered this field with data on several nuclear reactions of stellar hydrogen burning and of Big Bang nucleosynthesis. As a result, there is a call for one or more new underground accelerators with higher beam energy, able to address also helium and carbon burning and the neutron sources for the astrophysical s-process [2].
Such an accelerator is being installed at the Felsenkeller underground site in Dresden, Ger- many. It is shielded from cosmic radiation by 45 m of rock, reducing the muon flux by a factor of 40. An intercomparison exercise has shown that at Felsenkeller, the background in a typical nuclear astrophysics γ-ray detector is competitive to the deep-underground case in the crucial 6-8 MeV γ-ray energy range, if an additional muon veto is used.
A high-current 5MV Pelletron accelerator that was previously used in York, UK, has been bought for this purpose. It is being fitted with an internal ion source to provide intensive H+ and He+ beams in addition to the existing external sputter ion source. The site construction progress will be shown. The laboratory will be open to outside users, who are invited to form a user consortium.

Keywords: Nuclear Astrophysics; Felsenkeller; Underground physics; Big Bang nucleosynthesis; Solar fusion

  • Lecture (Conference)
    Nuclear Physics in Astrophysics VII, 18.-22.05.2015, York, United Kingdom

Publ.-Id: 22415

Underground nuclear astrophysics at the Dresden Felsenkeller

Bemmerer, D.

Favored by the low background underground, accelerator-based exper- iments are an important tool to study nuclear astrophysics reactions involving stable charged particles. This technique has been used with great success at the 0.4 MV LUNA accelerator in the Gran Sasso lab- oratory in Italy. However, the nuclear reactions of helium and car- bon burning and the neutron source reactions for the astrophysical s-process require higher beam energies, as well as the continuation of solar fusion studies. As a result, NuPECC strongly recommended the installation of one or more higher-energy underground accelerators. Such a project is underway in Dresden. A 5MV Pelletron accelerator is currently being refurbished by installing an ion source on the high voltage terminal, enabling intensive helium beams. The preparation of the underground site is funded, and the civil engineering project is being updated. The science case, operational strategy and project status will be reported.

Keywords: Felsenkeller; Nuclear Astrophysics

  • Lecture (Conference)
    DPG-Frühjahrstagung, 24.03.2015, Heidelberg, Deutschland

Publ.-Id: 22414

Underground nuclear astrophysics from the Big Bang to astrophysical novae

Bemmerer, D.

New astronomical observations on the Sun and other astronomical objects require for their interpretation new, precise nuclear cross section data. However, in stable-beam experiments for nuclear astrophysics, in many cases the cross section is so low that the laboratory background in a detector forms an insurmountable obstacle to experiments at astrophysical energies. By placing the experimental setup in an underground laboratory, the cosmic ray induced background can be reduced so far that highly sensitive experiments are feasible. Data on Big Bang nucleosynthesis and a number of hydrogen burning reactions in the Sun, asymptotic-giant branch stars and astrophysical novae are reviewed here.

Keywords: Nuclear Astrophysics; Big Bang; Nova explosions; LUNA; Felsenkeller

  • Invited lecture (Conferences)
    International Workshop XLIII on Gross Properties of Nuclei and Nuclear Excitations „Nuclear Structure and Reactions: Weak, Strange and Exotic“, 13.01.2015, Hirschegg, Österreich
  • Invited lecture (Conferences)
    Seminar INFN Genova, 05.03.2015, Genova, Italia

Publ.-Id: 22413

Work on the NeuLAND time of flight detector for 0.2-1.0 GeV neutrons at HZDR and TU Dresden

Bemmerer, D.

A new setup for kinematically complete reaction experiments for beams of radioactive nuclei far from the valley of stability is under construction at FAIR Darmstadt, Germany. NeuLAND, a highly efficient (>90%) neutron time of flight detector made of fast plastic scintillators is included in the setup. In order to reach proper resolution in the reconstructed energy spectrum, a time resolution of sigma < 150 ps is required. Using the ELBE picosecond electron beam as a time reference, it is currently being studied whether semiconductor-based photosensors (SiPMs) can be used for the readout of the NeuLAND scintillator bars.

Keywords: Nuclear Astrophysics; Time-of-flight detector; FAIR; Radioactive ion beam

  • Lecture (Conference)
    Kolloquium Institut für Kern- und Teilchenphysik, 29.01.2015, Dresden, Deutschland

Publ.-Id: 22412

γ ray spectroscopy of 19C via single neutron knock-out reaction

Vajta, Z.; Dombrádi, Z.; Elekes, Z.; Aiba, T.; Aoi, N.; Baba, H.; Bemmerer, D.; Fülöp, Z.; Iwasa, N.; Kobayashi, Á.; Kiss, T.; Kondo, Y.; Motobayashi, T.; Nakabayashi, T.; Nannichi, T.; Sakurai, H.; Sohler, D.; Takeuchi, S.; Tanaka, K.; Togano, Y.; Yamada, K.; Yamaguchi, M.; Yoneda, K.

The one-neutron knock-out reaction H1(C20,C19γ) was studied at RIKEN using the DALI2 array. A γ-ray transition was observed at 198(10) keV. Based on the comparison between the experimental production cross section and theoretical predictions, the transition was assigned to the de-excitation of the 3/21+ state to the ground state.

Keywords: Nuclear Physics; Radioactive ion beam; Nuclear Structure

Publ.-Id: 22411

Resonance strengths in the 17,18O(p, α)14,15N reactions and background suppression underground

Bruno, C. G.; Scott, D. A.; Formicola, A.; Aliotta, M.; Davinson, T.; Anders, M.; Best, A.; Bemmerer, D.; Broggini, C.; Cavanna, A. C. F.; Corvisiero, P.; Depalo, R.; Di Leva, A.; Elekes, Z.; Fülöp, Z.; Gervino, G.; Griffin, C. J.; Guglielmetti, A.; Gustavino, C.; Gyürky, G.; Imbriani, G.; Junker, M.; Menegazzo, R.; Napolitani, E.; Prati, P.; Somorjai, E.; Straniero, O.; Strieder, F.; Szücs, T.; Trezzi, D.

We report on measurements of resonance strengths and energies for the Ep=151 and 193 keV resonances in the18O(p, α )15N and17O(p, α )14N reactions, respectively, obtained during commissioning of a new setup for alpha-particle detection studies at the LUNA underground laboratory. Our values, ωγ(151)=164.2±0.9stat+12.1−11.7syst meV and ωγ(193)=1.68±0.03stat±0.12syst meV, are in excellent agreement with those reported in the literature. New values of resonance energies are Ep=151.2±0.3 keV and Ep=194.8±0.3 keV, respectively, this latter with the highest precision to date. Comparative background measurements in silicon detectors overground and underground were also carried out, yielding up to a factor of 15 in background suppression at LUNA at energies around 200keV. This clearly demonstrates the usefulness of underground measurements in charged-particles experiments, especially at low detection energies.

Keywords: Nuclear Astrophysics

Publ.-Id: 22410

Insights into the Mechanism of Extraction of Uranium (VI) from Nitric Acid Solution into an Ionic Liquid by using Tri-n-butyl phosphate

Gaillard, C.; Boltoeva, M.; Billard, I.; Georg, S.; Mazan, V.; Ouadi, A.; Ternova, D.; Hennig, C.

We present new results on the liquid–liquid extraction of uranium (VI) from a nitric acid aqueous phase into a tri-n-butyl phosphate/1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide (TBP/[C4mim][Tf2N]) phase. The individual solubilities of the ionic-liquid ions in the upper part of the biphasic system are measured over the whole acidic range and as a function of the TBP concentration. New insights into the extraction mechanism are obtained through the in situ characterization of the extracted uranyl complexes by coupling UV/Vis and extended X-ray absorption fine structure (EXAFS) spectroscopy. We propose a chemical model to explain uranium (VI) extraction that describes the data through a fit of the uranyl distribution ratio DU. In this model, at low acid concentrations uranium (VI) is extracted as the cationic complex [UO2(TBP)2]2+, by an exchange with one proton and one C4mim+. At high acid concentrations, the extraction proceeds through a cationic exchange between [UO2(NO3)(HNO3)(TBP)2]+ and one C4mim+. As a consequence of this mechanism, the variation of DU as a function of TBP concentration depends on the C4mim+ concentration in the aqueous phase. This explains why noninteger values are often derived by analysis of DU versus [TBP] plots to determine the number of TBP molecules involved in the extraction of uranyl in an ionic-liquid phase.

Keywords: ionic liquid; uranium; exafs

Publ.-Id: 22409

Setting the REE Industry-Specific Criteria and their Significant Role in the Viability of Rare Earth Underground Mining Projects - Festlegung der für die SEE-Industrie spezifischen Kriterien und ihre bedeutende Rolle bei der Durchführbarkeit von Tiefbauprojekten für seltene Erden

Barakos, G.; Mischo, H.

To evaluate the feasibility of a future underground mining operation is a complex problem in itself, with several different parameters to be accounted for and evaluated to secure investment decisions over the viability of any potential underground mining project. This procedure gets even more complicated when it comes to exploiting rare earth deposits. Various concerns are expressed regarding the environmental impacts that an underground mining operation may cause due to the radioactivity of the rare earth elements during mining and in waste treatment. Furthermore, the fragile market and the diversified supply and demand of the different rare earth elements can significantly affect the viability of such a venture, among other factors. This paper deals with the definition and classification of the specific criteria that govern the REE mining industry. Moreover, a thorough investigation is made of how these criteria can determine not only the selection of the underground mining method to be applied, but also of the impact that they may have to the overall feasibility of any given potential project. This paper was presented by the author´s at the SOMP conference on 24th June 2015 at the TU Bergakademie Freiberg, Freiberg, Germany.

Keywords: rare earth elements; underground mining; viability of mining projects

  • Open Access Logo Mining Report 151(2015)4, 5


Publ.-Id: 22408

Rare Earth Underground Mining Approaches with Respect to Radioactivity Control and Monitoring Strategies

Barakos, G.; Mischo, H.; Gutzmer, J.

All rare earth deposits contain Natural Occurring Radioactive Materials (NORMs), which primarily comprise radionuclides from the decay series of elements like Uranium (U) and Thorium (Th), especially products like radon. The contents of these materials are variable, and often occupational and environmental radiation exposures during mining need to be carefully assessed during the selection of appropriate technologies. The restriction of exposure to radon is the main target to help maintain a safe underground working environment. Mine ventilation is the primary technique of controlling ambient concentrations of radon progeny. In this paper, an attempt is made to determine the radon dispersion sources and the risks related to radiation exposure. Evaluations are made of the boundary conditions and the technologies that can contribute to the restriction and removal of radon from the underground mine air.

Keywords: Rare earth elements; underground mining; radon; occupational exposure; ventilation; tailings; mine water; radiation monitoring; dust suppression

  • Book chapter
    Ismar Borges de Lima, Walter Leal Filho: Rare Earths Industry: Technological, Economic, and Environmental Implications, Amsterdam, Netherlands: Elsevier, 2015, 978-0-12-802328-0, 121-138

Publ.-Id: 22407

Ultrasonic and other Techniques for Measuring Liquid Metal Multiphase Flows

Eckert, S.; Vogt, T.; Wondrak, T.; Gundrum, T.; Boden, S.; Gerbeth, G.

Gas-liquid metal two-phase flows are widespread in many technical fields such as metallurgy or energy and nuclear engineering. In general, the gas injection leads to highly turbulent and complex two-phase flows, which are difficult to predict by numerical simulations. The injected gas bubbles have a distinct influence on the flow pattern and may trigger instabilities in the liquid metal flow. However, almost all experimental investigations are limited to water models so far. This restriction is mainly attributed to the non-availability of suitable diagnostic technique which allow for a satisfactory characterization of the gas bubbles inside the liquid metal. We present laboratory experiments using the eutectic alloy GaInSn which is liquid at room temperature. As an example, ultrasonic techniques were used to investigate the vortex activated entrainment of air at the free surface of a rotating flow. The X-ray radioscopy was applied to visualize the behaviour of Argon bubbles rising in the liquid metal. The measurements reveal distinct differences between water and GaInSn especially with respect to the process of bubble formation, the coalescence and the breakup of bubbles.

Keywords: Liquid metal two-phase flow; bubbles; ultrasound Doppler method; Mutual Inductance Tomography; X-ray radioscopy

  • Invited lecture (Conferences)
    9th International Symposium on Measurement Techniques for Multiphase Flow, 22.-25.09.2015, Sapporo, Japan

Publ.-Id: 22406

Recycling of black dross containing rare earths originating from melting and recycling of magnesium alloys

Scharf, C.; Ditze, A.

The process of melting and recycling magnesium alloys using fluxes produces a residue termed black dross. The black dross investigated contained metal and non-metallic phases with a considerable content of rare earth metals (REEs). The black dross was separated by crushing and screening into metal and non-metallic fractions. The non-metallic fraction was further processed by water and acid leaching. In the water leach, NaCl, KCl and CaCl2 were separated for crystallisation. In the acid leach the residue was treated with hydrochloric acid in order to dissolve the rare earth elements Ce, La, Nd and Pr. Selective precipitation by oxalic acid and solvent extraction using D2EHPA or PC88A enables a recovery of up to 92.6% of the REEs from the oxide-salt-fraction. The equilibrium isotherms of the solvent extraction operation indicate the potential for further separating the rare earth elements. A flow sheet of the whole processes was developed in order to guide industrial application.

Keywords: Dross; Leaching; Magnesium; Rare earth; Residue; Solvent extraction

Publ.-Id: 22405

Single-crystal X-ray diffraction and resonant X-ray magnetic scattering at helium-3 temperatures in high magnetic fields at beamline P09 at PETRA III

Francoual, S.; Strempfer, J.; Warren, J.; Liu, Y.; Skaugen, A.; Poli, S.; Blume, J.; Wolff-Fabris, F.; Canfield, P. C.; Lograsso, T.

The resonant scattering and diffraction beamline P09 at PETRA III at DESY is equipped with a 14 T vertical field split-pair magnet. A helium-3 refrigerator is available that can be fitted inside the magnet's variable-temperature insert. Here the results of a series of experiments aimed at determining the beam conditions permitting operations with the He-3 insert are presented. By measuring the tetragonal-to-orthorhombic phase transition occurring at 2.1 K in the Jahn-Teller compound TmVO4, it is found that the photon flux at P09 must be attenuated down to 1.5 x 109 photons s-1 for the sample to remain at temperatures below 800 mK. Despite such a reduction of the incident flux and the subsequent use of a Cu(111) analyzer, the resonant X-ray magnetic scattering signal at the Tm LIII absorption edge associated with the spin-density wave in TmNi2B2C below 1.5 K is intense enough to permit a complete study in magnetic field and at sub-Kelvin temperatures to be carried out.

Publ.-Id: 22404

A new Particle-Induced X-ray Emission set-up for laterally resolved analysis over wide areas

Hanf, D.; Buchriegler, J.; Merchel, S.; Munnik, F.; Renno, A.; Ziegenrücker, R.; Scharf, O.; Nowak, S. H.; von Borany, J.

The recently installed and unique PIXE (particle-induced X-ray emission) set-up at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) is mainly dedicated to applications for a detailed overview of elemental composition over large sample areas within a short time even at trace level. The so-called High-Speed-PIXE (HS-PIXE), a combination of a pnCCD based pixel-detector with polycapillary X-ray optics, offers simultaneous imaging of sample areas up to 12 x 12 mm² with a lateral resolution better than 100 µm. Each of the 264 x 264 individual pixels detects X-ray photons in an energy range from 2 keV to 20 keV with an energy resolution of 156 eV (@Mn-Kα). A high precision sample manipulator offers the inspection of areas up to 250 x 250 mm². During first experiments the lateral resolution could be determined to (76 ± 23) µm using a sample of well-known sharp-edged chromium patterns. Trace element analysis has been performed using a geological sample, a tin ore, with an average Ta-concentration below 0.1 at.%. Fine-zoned structures became visible in the Ta-Lα intensity map within only 45 min. The High-Speed-PIXE closes a gap in the analytic process flow chain especially for geoanalytical characterisations. It is a unique and fast detection system to identify areas of interest in comparably short time at large-area scale for further analysis.

Keywords: PIXE; Lateral Resolution; Imaging; Geometallurgy

Publ.-Id: 22403

Mikrobielle Laugung von Seltenen Erden aus Leuchtpulver

Hopfe, S.; Kutschke, S.; Pollmann, K.

Seltene Erden (SE) werden in fast allen neuen Technologien eingesetzt, dennoch gibt es bis heute kein umweltfreundliches Recycling-Verfahren. Bei Verwertung von Energiesparlampen und Leuchtstoffröhren fallen in Deutschland jährlich rund 175 Tonnen Leuchtpulver an [1, 2], die aufgrund der Quecksilber-Belastung als Sondermüll gelagert werden müssen. Gebunden in den schwer wasser-löslichen Drei¬banden-Farbstoffen enthält das Leuchtpulver ca. 10% SE-Oxide [3]. Bei voll-ständigem Recycling könnten aus den Leuchtstoffabfällen folglich 17,5 Tonnen SE Oxide gewonnen werden. Bei den derzeit niedrigen SE-Preisen [4] entspräche das einem Wert von einer halben Million Dollar.
In dieser Arbeit wurde deshalb die mögliche Rückgewinnung von SE aus Leucht-pulver mithilfe von biohydro¬metallurgischen Techniken untersucht. Aufgrund der elektrochemischen Rand¬bedingungen, erscheint die Laugung mit organischen Säuren und metallbindenden Proteinen erfolgversprechender als Oxidations- oder Reduktions¬reaktionen [5, 6] Auf dieser Grundlage und der Literatur [7] wurden verschiedene hetero- und autotrophe aerobe Mikroorganismen (MO) als Rein- und Mischkultur ausgewählt. Mit den MO-Stämmen wurden zwei-wöchige Laugungs-experimente im Batch-Verfahren durchgeführt. Zur Bestimmung des Einflusses der MO wurden außerdem Experimente mit Kulturüberständen ohne MO gestartet. Mittels ICP-MS wurden die Konzentrationen von verschiedenen Metallionen der Dreibanden-Farbstoffe im Überstand bestimmt. Die gebildeten organischen Säuren wurden durch HPLC analysiert.
Erfolgversprechende Ergebnisse konnten mit den chemoorgano-heterotrophen MO Yarrowia lipolytica, Komatogateibacter xylinus und Lactobacillus casei sowie mit der Mischkultur Kombucha erzielt werden. Allen gemeinsam ist die Absenkung des pH-Wertes während der Kultivierung infolge der Bildung von organischen Säuren. Der Mechanismus für die Auflösung der Dreibanden-Farbstoffe ist daher wahrscheinlich mit der Carboxyl-Funktionalität verknüpft. Dennoch schienen auch die MO einen Einfluss auf die Solubilisierung zu haben, da bei den Experimenten mit Kultur¬überständen niedrigere Laugungsraten erzielt wurden. Diese Arbeiten zeigen erstmals, dass eine Biolaugung von Seltenen Erden aus technischen Produkten prinzipiell möglich ist.

[1] Gallenkemper, B. and J. Breer, Analyse der Datenerhebung nach ElektroG über die Berichtsjahre 2009 und 2010 zur Vorbereitung der EU-Berichtspflicht 2012, in Fachgebiet III 1.6, D. Hörig (Editor) 2012, Umweltbundesamt: Dessau-Rosslau, Ahlen.
[2] Lightcycle, Verwertbare Bestandteile von Altlampen, 2014, Riemann, Stephan.
[3] Haucke, E., T. Huckenbeck, and R. Otto, Verfahren zur Rückgewinnung seltener Erden aus Leuchtstofflampen, Osram AG, 2011: Germany.
[4] Argus Media: Metal-Pages, URL: (Stand 29.07.2015)
[5] Evans, C.H., Biochemistry of the Lanthanides. Biochemistry of the Elements, Editor. E. Frieden. Vol. 1. 1990, New York, London: Plenum Press.
[6] Morss, L.R., Yttrium, Lanthanum, and the Lanthanide Elements, in Standard Potentials in Aqueous Solution, Editoren: A.J. Bard, R. Parsons, and J. Jordan. 1985, Marcel Dekker, Ink.: New York, Basel. p. 587-629.
[7] Krebs, W., et al., Microbial recovery of metals from solids. FEMS Microbiology Reviews, 1997. 20 (3-4): p. 605–617.

Keywords: Seltene Erden; Biologische Laugung; Leuchtpulver

  • Poster
    Aufbereitung und Recycling, 11.-12.11.2015, Freiberg, Deutschland

Publ.-Id: 22402

Bioleaching of rare earth elements from fluorescent phosphor with the tea fungus Kombucha

Hopfe, S.; Kutschke, S.; Möckel, R.; Pollmann, K.

Rare earth elements (REE) are used in mostly all new technologies and until now, there is nearly no recycling of REE containing end-of-life products [1]. Furthermore, only poor information is available regarding interactions of microorganisms with REE and there are almost no studies describing the bioleaching of REE. However, it can be assumed that microorganisms play an important role in the biogeochemistry of REE. This study investigates the potential of organic acid producing microbes to extract REE from technical waste.
During recycling of energy-saving bulbs fluorescent phosphor (FP) is collected as a distinct fraction. It contains about 10% REE-oxides bound in the hardly water-soluble triband dyes as oxides, phosphates and aluminates [2]. In the present, the feasibility of the mixed culture Kombucha to dissolve the REE-compounds from FP was examined. Kombucha is a symbiosis of acetic bacteria and yeasts that grows on green tea with sucrose producing organic acids. Besides batch- and fed-batch approaches with the whole culture, also experiments with single Kombucha-organisms and culture supernatant were performed. The concentrations of the solubilised metal ions in the supernatant were measured with ICP-MS and the produced organic acids were analysed by HPLC. Futhermore, we tried to determine the microbial diversity trough DNA-analysis.
It could be shown, that the production of organic acids by the microoganisms of Kombucha lead to considerable higher concentrations of REE in the supernatant than in the control. These results show that it is possible to dissolve the REE compounds of FP by the help of microbial processes. Moreover, it provides the basis for the development of an eco-friendly alternative to the currently applied methods.

[1] European Commission (2014) On the review of the list of critical raw materials for the EU and the implementation of the Raw Materials Initiative, Brüssel. [2] Haucke et al. (2011) Verfahren zur Rückgewinnung seltener Erden aus Leuchtstofflampen, Osram AG.

Keywords: Bioleaching; Kombucha; Rare Earth Elements; Fluorescent Phosphor

  • Lecture (Conference)
    Goldschmidt 2015, 16.-21.08.2015, Prague, Česká republika

Publ.-Id: 22401

Screening of different microorganisms for the biological leaching of rare earth elements from fluorescent phosphor

Hopfe, S.; Kutschke, S.; Möckel, R.; Pollmann, K.

Rare earth elements (REE) are used in mostly all new technologies and until now, there exists no environmentally friendly recycling-process for fluorescent phosphor (FP). Furthermore, China has with a worldwide market share of 94 % (Roskill, 2011) a virtual monopoly in the production of REE. Therefore, there is increasing demand for novel recycling technologies to secure the supply of REE. During recycling of energy-saving bulbs annually 175 tons of FP are collected as a distinct fraction (Gallenkemper and Breer 2012, Riemann 2014). It contains about 10% of REE-oxides, which are bound in the hardly water-soluble triband dyes as oxides, phosphates and aluminates (Hauke et al., 2014).
In this study the feasibility of the solubilisation of triband dyes by bio-hydrometal¬lurgical techniques is examined. Due to electrochemical restrictions, leaching with organic acids and metal binding molecules is more promising, than oxidation or reduction reactions (Evans 1990, Morss 1985). On this basis and the literature (e.g. Krebs et al., 1997), different auto- and heterotrophic aerobic microorganisms are selected. With these strains two weeks lasting batch-experiments were performed. The concentrations of several metal ions of the triband dyes in the supernatants were measured by ICP MS. Furthermore, the produced organic acids were analysed by HPLC.
With “classical” bio-leaching organisms no relevant leaching success could be achieved, since the pH-value in the media was increased by the FP, thus inhibiting the growth of microorganisms. In contrast, some chemo-organoheterotrophic species were able to solubilize REE-compounds. Particularly the bacteria Komatogateibacter xylinus, Lactobacillus casei and the yeast Yarrowia lipolytica turned out to be suitable. Common for all these strains is the lowering of the pH-value during the cultivation due to the production of organic acids (e.g. acetic, lactic or citric acid). Therefore, the underlying mechanism of triband dye solubilisation is probably connected with the carboxyl-functionality. Additionally it is conspicuous, that in all approaches especially the red dye yttrium europium oxide is affected. This is presumably because of the higher solubility of oxides in comparison to phosphates and aluminates in general.
These results show that it is possible to dissolve the REE-compunds of FP by the help of microbial processes. Moreover, it provides the basis for the development of an eco-friendly alternative to the currently applied methods.

Keywords: Bioleaching; Rare earth elements; Fluorescent phosphor

  • Lecture (Conference)
    ICBB 2015 BARCELONA, International Conference on Bioengineering and Biotechnology, 15.07.2015, Barcelona, España

Publ.-Id: 22400

Epitaxial Post-Implant Recrystallization in Germanium Nanowires

Kelly, R. A.; Liedke, B.; Baldauf, S.; Gangnaik, A.; Biswas, S.; Georgiev, Y.; Holmes, J. D.; Posselt, M.; Petkov, N.

As transistor dimensions continue to diminish, techniques for fabrication need to be adapted. In particular, crystal recovery post ion implantation is required due to destructive ion bombardment inducing crystal damage including amorphization. Here, we report a study on the post-implant recrystallization in germanium (Ge) nanowires (NWs) following gallium (Ga) ion doping. In this work a variation of NW diameters and orientations were irradiated and annealed in situ to investigate the mechanism of recrystallization. An added complication of misorientation of crystal grains increases the complexity of crystal recovery for suspended NWs. We show that when the misorientation is prevented, by leaving a crystal link between two seeds and providing a rigid support, recrystallization occurs primarily via solid phase epitaxial growth (SPEG). Finally, we demonstrate that topdown fabricated Ge NWs on insulator can be recovered with no extended defects. This work highlights both experimentally and through molecular dynamic simulations the importance of engineering crystal recovery in Ge NWs which may have potential for next-generation complementary metal-oxide semiconductor (CMOS) devices.

Keywords: Ge nanowires; post-implant recrystallization

Publ.-Id: 22399

Atomic transport during solid-phase epitaxial recrystallization of amorphous germanium

Radek, M.; Bracht, H.; Johnson, B. C.; McCallum, J. C.; Posselt, M.; Liedke, B.

The atomic mixing of matrix atoms during solid-phase epitaxy (SPE) is studied by means of isotopically enriched germanium (Ge) multilayer structures that were amorphized by Ge ion implantation up to a depth of 1.5 micrometer. Recrystallization of the amorphous structure is performed at temperatures between 350 °C and 450 °C. Secondary-ion-mass-spectrometry is used to determine the concentration-depth profiles of the Ge isotope before and after SPE. An upper limit of 0.5 nm is deduced for the displacement length of the Ge matrix atoms by the SPE process. This small displacement length is consistent with theoretical models and atomistic simulations of SPE, indicating that the SPE mechanism consists of bond-switching with nearest-neighbours across the amorphous-crystalline (a/c) interface.

Keywords: solid-phase epitaxial recrystallization; Ge; atomic transport

Publ.-Id: 22398

New “green” biotechnical concepts for the recovery of metals from primary and secondary resources

Pollmann, K.; Raff, J.; Hopfe, S.; Kostudis, S.; Matys, S.; Bertheau, R.; Lehmann, F.; Suhr, M.; Vogel, M.; Flemming, K.; Schönberger, N.; Kutschke, S.

Novel environmental-friendly technologies are required in order to secure the demand of industrial relevant metals, covering the fields of exploitation, beneficiation and recycling of rare elements.
Nature itself offers promising approaches in these fields. In our group we develop bio-based technologies for extracting, treating and recycling metals such as copper or rare earths using microbes, microbial metabolites or biomolecules. The presentation gives an overview of current research activities that are performed in our group.
Natural processes such as microbial weathering, biomineralization, or biosorption are highly attractive for biotechnological applications that intend the recovery of metals from primary and secondary resources.
Currently applied bioleaching concepts use acidophilic bacteria such as Acidithiobacillus ferrooxidans for the extraction of metals from sulfidic ores. This approach is already used for the extraction of copper especially in ores with low metal content. Other concepts use metabolic products from microorganisms for indirect bioleaching processes. For example, in our group we investigate the use of heterotrophic bacteria for the extraction of strategic relevant elements such as copper and Rare Earth Elements from different sources.
Biosorption uses the metal binding capabilities of biomass or biomolecules for the recovery of metals from solutions. Such compounds can be immobilized on materials to construct metal selective filter materials. These materials enable an efficient removal of specific metals, are relatively cheap, and can be regenerated. In our group we use bacterial surface layer proteins (S-layers) for the construction of metal selective biocomposites. In other projects we select metal binding peptides using phage surface display technology. In a third approach we use metabolic products, e.g. metallophores, as complexing agents.
In conclusion, in combination with established physical and chemical processes, such biotechnological approaches have a high potential to improve metal beneficiation and recycling and contribute to environmentally friendly and sustainable processes.

Keywords: biomining; biosorption; bioleaching; metal recovery

  • Lecture (Conference)
    Green & Sustainable Chemistry, 04.-06.04.2016, Berlin, Deutschland

Publ.-Id: 22397

Pobibilities and challenges of remote sensing for exploration of carbonatite-hosted REE deposits

Zimmermann, R.; Brandmeier, M.; Gloaguen, R.

Remote sensing data can provide valuable information about ore deposits and their alteration zones at surface level. However, small-scale, structurally controlled ore deposits require remotely sensed data with a very high spatial and spectral resolution. Due to their economic importance, carbonatite-hosted HREE deposits have become a focus of interest and provide a challenge for traditional remote sensing methods. Thus, in this study we focus on developing and testing new remote sensing exploration methods to detect carbonatites as potential host rocks in a well known deposit: Lofdal/Bergville Farm in the northern part of Namibia. The HREE-hosting carbonatite dykes have widths of 0.5 to 3 m. HREE got enriched within these small dykes and fractures during a post-carbonatite intrusion hydrothermal mineralization stage [1].

Several classification and unmixing algorithms were tested on airborne HyMap data. We observe a significant improvement of classification results by using a combination of spectral, textural and geomorphometric information in an expert-based approach compared to "traditional" classification algorithms. The extent of major dykes and the main intrusion could be reproduced very accurately. Thus, we recognize that carbonatites are associated with specific geometric patterns that help to improve classification results. Furthermore, the structures found by Automated lineament extraction (TecLines Toolbox [2]) agree with the orientation of mapped structures in the area and provide more detail to the original mapping.

However, a major difficulty that arised during this study was the still inadequate spatial resolution of 5 m for mapping most of the dykes. Small-scale alteration zones and narrow dykes cannot be detected or mapped correctly. Furthermore, the spectral signature of the surrounding host rocks is similar to the carbonatites and the fenitization zone. Including geometric information into the classification does not lead to significant improvement.

High spatial and spectral resolution is essential for accurate mapping of those narrow mineralized structures. Therefore, we hope to handle these problems by using high-resolution drone-borne systems for hyperspectral imaging, geophysics and 3D photogrammetry.

[1] Anthony-Jones, W., Bau, M. and Wall, F. (2014): Rare Earth Element deposits. Proceedings of the 13th Freiberg Short Course in Economic Geology, TU Bergakademie Freiberg

[2] Rahnama, M. and Gloaguen, R. (2014): TecLines: A MATLAB-Based Toolbox for Tectonic Lineament Analysis from Satellite Images and DEMs, Part 1: Line Segment Detection and Extraction, Remote Sensing 6: 5938–5958

  • Lecture (Conference)
    IAMG 2015 - The 17th annual conference of the International Association for Mathematical Geosciences, 08.09.2015, Freiberg, Deutschland
  • Contribution to proceedings
    IAMG 2015 - The 17th annual conference of the International Association for Mathematical Geosciences, 05.-13.09.2015, Freiberg, Deutschland
    Proceedings of IAMG 2015, 978-3-00-050337-5, 773-783

Publ.-Id: 22396

On the burning of Plutonium originating from Light Water Reactor use in a fast molten salt reactor – A neutron physical study

Merk, B.; Litskevich, D.

An efficient burning of the plutonium produced during light water reactor (LWR) operation has the potential to significantly improve the sustainability indices of LWR operation. The work offers a comparison of the efficiency of the Pu burning in different reactor configurations - a molten salt fast reactor, a LWR with MOX fuel, and a sodium cooled fast reactor. The calculations are performed using the HELIOS 2 code. All results are evaluated against the plutonium burning efficiency determined in the CAPRA project. The results are discussed with special view on the increased sustainability of LWR use in the case of successful avoidance of an accumulation of Pu which otherwise would have to be forwarded to a final disposal. A strategic discussion is given about the unavoidable plutonium production, the possibility to burn the plutonium to avoid a burden for the future generations which would have to be controlled.

Keywords: Plutonium; Plutonium Management; Plutonium Burning; Nuclear Reactors; Molten Salt Reactor; Fast Reactor; Light Water Reactor; MOX Fuel

Publ.-Id: 22395

Assisted dynamical Schwinger effect: pair production in a pulsed bifrequent field

Panferov, A. D.; Smolyansky, S. A.; Otto, A.; Kämpfer, B.; Blaschke, D.; Juchnowski, L.

Electron-positron pair production by the superposition of two laser pulses with different frequencies and amplitudes is analyzed as a particular realization of the assisted dynamic Schwinger effect. It is demonstrated that, within a non-perturbative kinetic equation framework, an amplification effect is conceivable for certain parameters. When both pulses have wavelengths longer than the Compton wavelength, the residual net density of produced pairs is determined by the resultant field strength. The number of pairs starts to grow rapidly if the wavelength of the high-frequency laser component gets close to the Compton wavelength.

Publ.-Id: 22394

Spectral caustics in laser assisted Breit-Wheeler process

Nousch, T.; Seipt, D.; Kämpfer, B.; Titov, A. I.

Electron-positron pair production by the Breit-Wheeler process embedded in a strong laser pulse is analyzed. The transverse momentum spectrum displays prominent peaks which are interpreted as caustics, the positions of which are accessible by the stationary phases. Examples are given for the superposition of an XFEL beam with an optical high-intensity laser beam. Such a configuration is available, e.g., at LCLS at present and at European XFEL in near future. It requires a counter propagating probe photon beam with high energy which can be generated by synchronized inverse Compton backscattering.


Publ.-Id: 22393

Addendum to “Determination of gamma-ray widths in 15N using nuclear resonance fluorescence”

Szücs, T.; Mohr, P.

The determination of absolute widths of two observed levels above the proton threshold in 15N has been improved by a combined analysis of our recent 15N(gamma,gamma′)15N∗ photon scattering data, resonance strengths omegagamma of the 14C(p,gamma)15N reaction, and gamma-ray branchings b_gamma,i in 15N. The revised data are compared to the adopted values, and some inconsistencies in the adopted values are illustrated.

Keywords: 15N; gamma-ray widths; proton widths

Publ.-Id: 22392

Gamma background studies in 45 m and 150 m deep mines

Szücs, T.

A very low background level is a key requirement for low-energy nuclear astrophysics experiments. A detailed high energy (E_gamma > 3 MeV) gamma-background study with two escape-suppressed HPGe detectors has been performed at a medium deep underground site, in the Reiche Zeche mine (150 m) in Freiberg, Germany [1]. The new data complement a data set with the same detector at the Earth's surface, shallow underground (45 m) in the Felsenkeller laboratory in Dresden, Germany [2], and deep underground (1400 m) in LNGS in Gran Sasso, Italy [3]. The detailed background data from one and the same escape-suppressed HPGe detector at different underground depths allows the investigation of the effect of the active and passive shielding on the high energy (E_gamma > 3 MeV) laboratory background. A detailed interpretation of the behaviour of different background components as a function of the underground depth will be presented. The data show that already a shallow underground site has sufficiently low gamma-background for many nuclear astrophysics studies when an additional active shield is used to veto the remaining muon flux. Benefiting from these low background conditions, a used 5MV Pelletron tandem accelerator is currently being refurbished for installation at the Dresden Felsenkeller [4].
[1] T. Szücs et al., Eur. Phys. J. A 51, 33 (2015).
[2] T. Szücs et al., Eur. Phys. J. A 48, 8 (2012).
[3] T. Szücs et al., Eur. Phys. J. A 44, 513 (2010).
[4] D. Bemmerer et al., Proc. of Sciences NIC XIII, 044 (2015).

Keywords: background; underground; active shielding

  • Lecture (Conference)
    European Nuclear Physics Conference (EuNPC2015), 31.08.-04.09.2015, Groningen, The Netherlands

Publ.-Id: 22391

Analysis and applications of a generalized multi-field two fluid approach for plunging jet configuration

Krepper, E.; Zidouni, F.; Lucas, D.

The paper describes the simulation of a plunging jet. A generalized approach developed for the simulation of two-phase flow problems with multi-scale interfacial structures is applied for this problem. The GEneralized TwO Phase flow (GENTOP) modeling approach considers different scales in term of interfacial structure. The explicit statistical simulation of the interface between continuous gas and fluid is combined with the Euler/Euler simulation of dispersed gas. For the dispersed gas the Multiple Size Group (MUSIG) approach simulates different bubble sizes. The mass transfer between the bubble sizes is considered by bubble breakup and coalescence models. The gas entrainment during the plunging jet is described by the transition between continuous gas and dispersed gas. Here for a special sub grid model is applied.
This set of models is applied for the simulation of plunging jet experiments performed by Chanson et al. (2004). In the tests different geometric scale of plunging jet were investigated and here analyzed. The paper shows the capabilities of this approach and identifies weak points which need further development.

Keywords: CFD; two phase flow; Euler/Euler approach; interfacial area; plunging jet

  • Lecture (Conference)
    The 16th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-16), 30.08.-04.09.2015, Chicago, USA
  • Contribution to proceedings
    The 16th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-16), 30.08.-04.09.2015, Chicago, USA

Publ.-Id: 22390

Concepts for the development of new biosorbents

Matys, S.

In this contribution new approaches for the development of alternative, selectively binding biosorption materials for metal recyclables on the basis of bacterial surface proteins and peptides are presented and discussed.

  • Lecture (Conference)
    Freiberger Forschungsforum, 66. Berg-und Hüttenmännischer Tag (BHT), 17.-19.06.2015, Freiberg, Deutschland

Publ.-Id: 22389

Low-energy enhancement in the gamma-ray strength functions of 73,74Ge

Renstrøm, T.; Nyhus, H.-T.; Utsunomiya, H.; Schwengner, R.; Goriely, S.; Larsen, A. C.; Filipescu, A. D. M.; Gheorghe, I.; Bernstein, L. A.; Bleuel, D. L.; Glodariu, T.; Görgen, A.; Guttormsen, M.; Hagen, T. W.; Kheswa, B. V.; Lui, Y.-W.; Negi, D.; Ruud, I. E.; Shima, T.; Siem, S.; Takahisa, K.; Tesileanu, O.; Tornyi, T. G.; Tveten, G. M.; Wiedeking, M.

The gamma-ray strength functions and level densities of 73,74Ge have been extracted up to the neutron separation energy Sn from particle- coincidence data using the Oslo method. Moreover, the gamma-ray strength function of 74Ge above Sn has been determined from photo-neutron measurements; hence these two experiments cover the range of E = 1 - 13 MeV for 74 Ge. The obtained data show that both 73,74 Ge display an increase in strength at low energies. The experimental strength functions are compared with M1 strength functions deduced from average B(M1) values calculated within the shell model for a large number of transitions. The observed low-energy enhancements in 73,74 Geare adopted in the calculations of the 72,73Ge(n,gamma) cross sections, where there are no direct experimental data. Reaction rate calculations for more neutron-rich germanium isotopes are shown to be sensitive to a low-energy enhancement.

Keywords: Nuclear structure; nuclear reactions; strength functiopns; level densities

Publ.-Id: 22388

PIConGPU: Unleashing the Full Computational Potential for the Many-Core Era

Huebl, A.; Widera, R.; Pausch, R.; Worpitz, B.; Eckert, C.; Burau, H.; Garten, M.; Debus, A.; Kluge, T.; Bussmann, M.

Since its release as open source in 2013, PIConGPU is the fastest published 3D3V Particle-in-Cell (PIC) code in the world in terms of sustained peak performance with 7.2 Pflop/s scaling up to 18'432 GPUs on Titan (ORNL). Accelerator hardware is the key technology enabling an order-of-magnitude increase in computational power over conventional CPUs, but on the same time requires a general rethinking of particle-mesh and particle-particle algorithms in terms of multi-level parallelism.
We present the challenges that are common to all PIC codes in a heterogeneous computing environment and possible solutions in PIConGPU. Starting from a general description of mesh-based operations over communication and latency hiding down to efficient caching and register usage, a sustainable programming technique is explained that is both interchangeable in algorithms and performance portable.
The continuing trend of steady increase in theoretical peak performance for the world's leading machines diverges significantly from the bandwidths that are available for high-performance file systems, causing substantial change in established imulation and analysis chains. In-situ and staged processing are approaches to bridge that gap and will be presented on routines that are either memory limited, computationally highly expensive or communication bound.
Quantitatively, a dramatically lowered time-to-solution is the direct advantage of a many-core accelerated based PIC code. The former is indispensable for an equally significant, qualitative scientific improvement that allows to incorporate multi-physics models that are beyond the simple averaging over ensembles, e.g., kinetic collision and non-LTE ionization models. The potential impact for laser-ion acceleration on solid density targets will be illustrated in an example.

Keywords: HPC; PIConGPU; LPA; GPU; Simulation; PIC

  • Invited lecture (Conferences)
    ICNSP 2015 - International Conference on Numerical Simulation of Plasmas, 12.-14.08.2015, Golden (CO), USA

Publ.-Id: 22387

A treatment planning study to assess the feasibility of laser-driven proton therapy using a compact gantry design

Hofmann, K. M.; Masood, U.; Pawelke, J.; Wilkens, J. J.

Purpose: Laser-driven proton acceleration is suggested as a cost- and space-efficient alternative for future radiation therapy centers, although the properties of these beams are fairly different compared to conventionally accelerated proton beams. The laser-driven proton beam is extremely pulsed containing a very high proton number within ultrashort bunches at low bunch repetition rates of few Hz and the energy spectrum of the protons per bunch is very broad. Moreover, these laser accelerated bunches are subject to shot-to-shot fluctuations. Therefore, the aim of this study was to investigate the feasibility of a compact gantry design for laser-driven proton therapy and to determine limitations to comply with. Methods: Based on a published gantry beam line design which can filter parabolic spectra from an exponentially decaying broad initial spectrum, a treatment planning study was performed on real patient data sets. All potential parabolic spectra were fed into a treatment planning system and numerous spot scanning proton plans were calculated. To investigate limitations in the fluence per bunch, the proton number of the initial spectrum and the beam width at patient entrance were varied. A scenario where only integer shots are delivered as well as an intensity modulation from shot to shot was studied. The resulting plans were evaluated depending on their dosimetric quality and in terms of required treatment time. In addition, the influence of random shot-to-shot fluctuations on the plan quality was analyzed. Results: The study showed that clinically relevant dose distributions can be produced with the system under investigation even with integer shots. For small target volumes receiving high doses per fraction, the initial proton number per bunch must remain between 1.4×108 and 8.3×109 to achieve acceptable delivery times as well as plan qualities. For larger target volumes and standard doses per fraction, the initial proton number is even more restricted to stay between 1.4×109 and 2.9×109. The lowest delivery time that could be reached for such a case was 16 min for a 10 Hz system. When modulating the intensity from shot to shot, the delivery time can be reduced to 6 min for this scenario. Since the shot-to-shot fluctuations are of random nature, a compensation effect can be observed, especially for higher laser shot numbers. Therefore, a fluctuation of ±30% within the proton number does not translate into a dosimetric deviation of the same size. However, for plans with short delivery times these fluctuations cannot cancel out sufficiently, even for ±10% fluctuations. Conclusions: Under the analyzed terms, it is feasible to achieve clinically relevant dose distributions with laser-driven proton beams. However, to keep the delivery times of the proton plans comparable to conventional proton plans for typical target volumes, a device is required which can modulate the bunch intensity from shot to shot. From the laser acceleration point of view, the proton number per bunch must be kept under control as well as the reproducibility of the bunches.

Keywords: laser accelerated protons; novel accelerators; proton beam therapy; treatment planning

Publ.-Id: 22386

The influence of the beam charge state on the analytical calculation of RBS and ERDA spectra

Baradas, N. P.; Kosmata, M.; Hanf, D.; Munnik, F.

Analytical codes dedicated to the analysis of Ion Beam Analysis data rely on the accuracy of both the calculations and of basic data such as scattering cross sections and stopping powers. So far, the effect of the beam charge state of the incoming beam has been disregard by general purpose analytical codes such as NDF. In fact, the codes implicitly assume that the beam is always in the equilibrium charge state, by using tabulated stopping power values e.g. from SRIM, which are in principle valid for the equilibrium charge state. The dependence of the stopping power with the charge state is ignored. This assumption is reasonable in most cases, but for high resolution studies the actual change of the charge state from the beam charge state towards equilibrium as it enters and traverses the sample must be taken into account, as it influences the shape of the observed data. In this work, we present an analytical calculation, implemented in NDF, that takes this effect into account. For elastic recoil detection analysis (ERDA), the changing charge state of the recoils can also be taken into account. We apply the calculation to the analysis of experimental high depth resolution ERDA data for various oxide layers collected using a magnetic spectrometer.

Keywords: NDF; RBS; ERDA; beam charge state

Publ.-Id: 22385

High-temperature scintillation of alumina under 32 MeV 63Cu5+ heavy-ion irradiation

Lederer, S.; Akhmadaliev, S.; von Borany, J.; Gütlich, E.; Lieberwirth, A.; Zimmermann, J.; Ensinger, W.

Polycrystalline alumina samples (α-Al2O3, purity: 99.8%) were irradiated with 63Cu5+63Cu5+ ions of 32 MeV kinetic energy (≈0.5 MeV/u) up to fluences of 1E14 ions/cm2 at various temperatures ranging from 295 to 973 K. Ion beam induced luminescence and emission spectra were monitored at wavelengths from 320 to 800 nm. Optical absorption measurements were performed to deduce color center formation. Results were evaluated by the Birks model to determine the material’s radiation hardness. The applicability of alumina as scintillation screens for ion beam diagnostics could be extended by enhanced temperature operation. Analysis of the emission spectra shows a complex color center formation behavior as a function of fluence and temperature.

Keywords: Alumina; Heavy-ion irradiation; Scintillation yield decrease; High-temperature scintillation; Thermal annealing

Publ.-Id: 22384

MHz Repetion Rate Yb:YAG and Yb:CaF2 Regenerative Picosecond Laser Amplifiers with a BBO Pockels Cell

Bergmann, F.; Siebold, M.; Loeser, M.; Röser, F.; Albach, D.; Schramm, U.

We present picosecond Yb:YAG and Yb:CaF2 regenerative laser amplifiers with ultra-high repetition rates in the MHz range. A maximum pulse energy of 40 uJ was obtained at 20 kHz while we achieved around 1 uJ at 1 MHz. We demonstrated a pulse duration of 2.1 ps for Yb:YAG and 4.8 ps for Yb:CaF2 when seeded by a mode-locked Yb:KGW fs-oscillator without pulse stretching or phase compensation.

Keywords: high repetition rate; regenerative amplifiers; picosecond lasers; ytterbium-doped laser materials

Publ.-Id: 22383

Structural Characterization of Aluminum (Oxy)hydroxide Films at the Muscovite (001)−Water Interface

Lee, S. S.; Schmidt, M.; Fister, T. T.; Nagy, K. L.; Sturchio, N. C.; Fenter, P.

The formation of Al (oxy)hydroxide on the basal surface of muscovite mica was investigated to understand how the structure of the substrate controls the nucleation and growth of secondary phases. Atomic force microscopy images showed that solid phases nucleated on the surface initially as two-dimensional islands that were ≤10 Å in height and 100–200 Å in diameter after 16–50 h of reaction in a 100 μM AlCl3 solution at pH 4.2 at room temperature. High-resolution X-ray reflectivity data indicated that these islands had an internal atomic structure that resembles a single gibbsite layer, i.e., a plane of Al ions octahedrally coordinated to oxygen or hydroxyl groups. The formation of a gibbsite layer is likely favored because of the structural similarity between its basal plane and the underlying mica surface. After 700–2000 h of reaction, thicker and continuous films formed on top of the gibbsite-layer coated mica surface. X-ray diffraction data showed that these films were composed of diaspore whose formation was predicted by thermodynamic calculations. This diaspore film grew predominantly with its (040) and (140) crystallographic directions oriented along the muscovite (001) direction, indicating that the preformed metastable gibbsite layer acted as a structural anchor for the subsequent growth of thermodynamically stable diaspore.

Publ.-Id: 22382

Solidification characteristics of Fe-Ni peritectic alloy thin strips under a near-rapid solidification condition

Song, C.-J.; Yang, Y.; Guo, Y.-Y.; Zhang, Y.-H.; Lu, W.; Zhai, Q.-J.

This paper is an experimental investigation of the structure evolution and the solute distribution of 2 mm thick strips of Fe-(2.6, 4.2, 4.7, 7.9wt.%)Ni peritectic alloy under a near-rapid solidification condition, which were in the regions of d-ferrite single-phase, hypo-peritectic, hyper-peritectic and γ-austenite single-phase, respectively. The highest area ratio of equiaxed grain zone in the hyper-peritectic of Fe-4.7wt.%Ni alloy strip was observed, while other strips were mainly columnar grains. The lowest micro-segregation was obtained in the Fe7.9wt.%Ni alloy strip, while micro-segregation in the Fe-4.7wt.%Ni alloy was the highest. As opposed to the microsegregation, the macro-segregation of all the Fe-Ni strips was suppressed due to the rapid solidification rate. Finally, the structure formation mechanism of Fe-Ni alloy strips was analyzed.

Keywords: Fe-Ni peritectic alloy; Near-rapid solidification; Solidification characteristics

  • Open Access Logo China Foundry 12(2015)3, 189-195

Publ.-Id: 22381

Resistance fluctuations in insulating silicon films with superconducting nanopreciptitates – superconductor-to-metal or vortex matter phase transition?

Heera, V.; Fiedler, J.; Skorupa, J.; Skorupa, W.

Silicon films with Ga-rich nanoprecipitates are superconductors or insulators in dependence on their normal state resistance. Even in the insulating state of the film superconducting nanoprecipitates exist below the critical temperature of 7 K and determine its complex transport behavior. In this range sometimes large, random resistance jumps appear that are accompanied by little temperature changes. The resistance fluctuates between a well-defined low-resistance value and a broader band of higher resistances. Jumps to higher resistance are associated with a temperature decrease and vice versa. We present experimental results on these fluctuations and suppose a first order phase transition in the film as probable origin.

Keywords: resistance fluctuations; silicon film; superconducting nanoprecipitates; first order phase transition; vortex matter

Publ.-Id: 22380

Ion implantation of the 4H SiC epitaxial layers and substrates with 2MeV Se+ and 1MeV Al+ ions

Wierzchowski, W.; Turos, A.; Wieteska, K.; Stonert, A.; Ratajczak, R.; Jóźwik, P.; Wilhelm, R.; Akhamadaliev, S.; Mazur, K.; Paulmann, C.

The implantations were performed in 4H silicon carbide homoepitaxial layers deposited on (00.1) substrates with 8° offcut, and reference 4H-SiC substrates. The 2MeV Se+ ions and 1MeV Al+ ions were implanted with four fluences subsequently increased by the factor of 4-5×. The samples were studied by means of X-ray diffraction topography, high-resolution diffractometry, specular X-ray reflectometry, and Rutherford backscattering spectrometry\channeling method. The dislocation density in the samples evaluated from the diffraction topographs did not exceed 5×103cm-2. The representative roughness values evaluated from the reflectometric measurements was 2.3±0.1nm for the substrates and less than 1.4±0.1nm for the epitaxial layers. A significantly higher damage level in the case of 2MeV Se+ ions in comparison with 1MeV Al+ ion and a linear increase of the strain with the fluence was indicated, but the highest doses of selenium ions caused the amorphization of the implanted layer. It was also possible to obtain a good fitting of the theoretical and experimental diffraction curves approximating the strain profiles by the distribution of the point defects calculated with the SRIM 2008 code. It was confirmed that the maximum coming from surface damages observed in channeling spectra of the virgin substrate wafers was significantly higher than in the case of epitaxial layers.

Publ.-Id: 22379

Effect of pressure and high magnetic field on phase transitions and magnetic properties of Ni1.92Mn1.56Sn0.52 and Ni2MnSn Heusler compounds

Kastil, J.; Kamarad, J.; Isnard, O.; Skourski, Y.; Misek, M.; Arnold, Z.

Complex study of magnetic, magnetocaloric and structural properties of the Ni2MnSn and Ni1.92Mn1.56Sn0.52 compounds was performed. The stoichiometric single-crystal of Ni2MnSn was prepared by Czochralski method. The remarkable pressure effect on the martensitic magnetization and the martensite-austenite transition temperature TM–A was observed in the Ni1.92Mn1.56Sn0.52 compound. The coefficient dTM–A/dp reached value of 18 K/GPa. The already low value of martensite magnetization of Ni1.92Mn1.56Sn0.52 was further substantially decreased by external pressure, in contrast with pressure almost insensitive magnetization of the stoichiometric Ni2MnSn single-crystal. The pulse magnetic field of 58 T invoked the structural transition at temperature 180 K that is of about 100 K below TM–A of Ni1.92Mn1.56Sn0.52 at zero field. An anomalous increase of resistivity of the compound has been observed at temperature range below TM–A, however, it does not copy the sharp change of magnetization at TM–A. The obtained results indicate the important role of interatomic distances on the magnetic ordering and electronic structure of the studied Heusler alloys and are in agreement with the Jahn-Teller mechanism of the martensitic transition in these compounds.

Publ.-Id: 22378

ISPT 7 - Book of Proceedings

Bieberle, A.; Schlessiger, H.; Hampel, U.; (Editors)

Process tomography aims at non-invasive dynamic imaging and measurement of industrial processes and multiphase flows. In recent years different modalities, based on e.g. electrical measurements, X-ray, gamma ray or neutron transmission, positron emission, ultrasound and visible light, have been developed into technical solutions and stimulated the work of scientists and engineers in many application fields, such as chemical and process engineering, oil and gas production, power engineering, fundamental research on flow mechanics as well as CFD code development.

The symposium provides a platform for scientists and engineers to introduce and discuss recent advances in process tomography and its application in industrial process analysis and control, multiphase flow measurement and dynamic non-destructive testing. It continues a series of preceding events in Jurata 2000, Wroclaw 2002, Lodz 2004, Warzaw 2006, Zakopane 2008, and Cape Town 2011.

Keywords: Process tomography systems and Hardware; Inverse problems and reconstruction methods; Image processing and data visualization; Multi-modality and multi-sensor approaches; Mathematical modeling; Multiphase flow studies; Data generation for computational fluid Dynamics; Industrial application; Dynamic non-destructive testing

  • Book (Editorship)
    Dresden: HZDR, 2015

Publ.-Id: 22377

ISPT7 - Book of Abstracts

Bieberle, A.; Schlessiger, H.; Hampel, U.; (Editors)

Process tomography aims at non-invasive dynamic imaging and measurement of industrial processes and multiphase flows. In recent years different modalities, based on e.g. electrical measurements, X-ray, gamma ray or neutron transmission, positron emission, ultrasound and visible light, have been developed into technical solutions and stimulated the work of scientists and engineers in many application fields, such as chemical and process engineering, oil and gas production, power engineering, fundamental research on flow mechanics as well as CFD code development.

The symposium provides a platform for scientists and engineers to introduce and discuss recent advances in process tomography and its application in industrial process analysis and control, multiphase flow measurement and dynamic non-destructive testing. It continues a series of preceding events in Jurata 2000, Wroclaw 2002, Lodz 2004, Warzaw 2006, Zakopane 2008, and Cape Town 2011.

Keywords: Process tomography systems and Hardware; Inverse problems and reconstruction methods; Image processing and data visualization; Multi-modality and multi-sensor approaches; Mathematical modeling; Multiphase flow studies; Data generation for computational fluid Dynamics; Industrial application; Dynamic non-destructive testing

  • Book (Editorship)
    Dresden: HZDR, 2015

Publ.-Id: 22376

Investigation into the Formation of Nanoparticles of Tetravalent Neptunium in Slightly Alkaline Aqueous Solution

Husar, R.

Considering the worldwide growing discharge of minor actinides and the current need for geological disposal facilities for radioactive waste, this work provides a contribution to the safety case concerning Np transport if it would be released from deep repository sites and moving from alkaline cement conditions (near-field) to more neutral environmental conditions (far-field). The reducing conditions in a nuclear waste repository render neptunium tetravalent, which is assumed to be immobile in aqueous environment due to the low solubility solution of Np(IV). For tetravalent actinide nuclides, the most significant transport should occur via colloidal particles. This work demonstrates the formation of intrinsic neptunium dioxide nanocrystals and amorphous Np(IV) silica colloids under environmentally relevant conditions.

The dissociation of the initial soluble Np(IV) complex (i.e. [Np(IV)(CO3)5]6-) induces the intrinsic formation of nanocrystalline NpO2 in the solution phase. The resulting irregularly shaped nanocrystals with an average size of 4 nm exhibit a face-centered cubic (fcc), fluorite-type structure (space group ). The NCs tend to agglomerate under ambient conditions due to the weakly charged hydrodynamic surface at neutral pH (zetapotential ~0 mV). The formation of micron-sized agglomerates, composed of nanocrystals of 2-5 nm in size, and the subsequent precipitation cause immobilization of the major amount of Np(IV) in the Np carbonate system. Agglomeration of NpO2 nanocrystals in dependence on time was indicated by PCS and UV-vis absorption spectroscopy with the changes of baseline characteristics and absorption maximum at 742 nm.

Hitherto, unknown polynuclear species as intermediate species of NpO2 nanocrystal formation were isolated from solution and observed by HR-TEM. These polynuclear Np species appear as dimers, trimers and hexanuclear compounds in analogy with those reported for other actinides.

Intrinsic formation of NpO2 (fcc) nanocrystals under ambient environmental conditions is prevented by admixing silicic acid: amorphous Np(IV) silica colloids are formed when silicate is present in carbonate solution.

Herein, the initial molar ratio of Si to Np in solution lead to the formation of Np(IV) silica particles of different composition and size where Si content determines the structure and stability of resulting colloids. Implications for different electronic structures of Np(IV) in dependence on Si content in the solid phase are given by the shift of the absorption maximum at 742 nm characteristic for Np(IV) colloids, silica excess of 5 times the magnitude of Si to Np reveal a redshift up to 6 nm in the colloidal UV-vis spectrum. Precipitation of Np(IV) particles in the ternary system results in a different coordination sphere of Np(IV) compared to the binary system, and the incorporation of Si into internal structure of Np(IV) silica colloids in coffinite-like structure is confirmed by EXAFS. TEM confirms different kinds of particle morphologies in dependence on the silica content. Silica-poor systems reveal porous particles in the micron-range which consist of irregular cross-linked hydrolyzed Np(IV) silica compartments with pores <15 nm.

In contrast, long-term stabilized and silica-enriched systems are characterized by isolated particles with an average particle size of 45 nm. Agglomerates of such isolated Np(IV) silica particles appear as consolidated amorphous solids with a densely closed surface and exhibit no internal fractures. The latter mentioned morphology of Np(IV) silica particles might facilitate the migration behavior of Np(IV) in a stabilized colloidal form under environmental conditions. The silica-enriched particles with densely closed surface are long-term stabilized as colloidal dispersion (>1 year) due to repulsion effects caused by significant surface charge. Particles synthesized from Si/Np = 9/1 carry exclusively negative surface charge in nearly the whole pH range from pH 3 to pH 10 with zetapotential = (-) 5 to (-) 30 mV. The zeta potentials of all particle systems containing silica are significantly shifted to more negative values below pH 7 where the isoelectrical point shifts from pH = 8.0 to 2.6 effecting negative charge under ambient conditions which supports electrostatic stabilization of Np(IV) particles. Particle surface charge at the slipping plane, particle size and shape necessarily depend on the initial magnitude of Si content in solution during particle formation. Particular changes of the morphology and internal structure of different Np(IV) silica colloids by aging are indicated by TEM and XPS. The composition and the crystallinity state of the initially formed amorphous phases partially changed into well-ordered nanocrystalline units characterized with fcc structure.

The presence of silicate under conditions expected in a nuclear waste repository significantly influences the solubility of Np(IV) and provoke the stabilization of waterborne Np(IV) up to concentrations of 10-3 M, exceeding Np´s solubility limit by a factor of up 10.000.

Neptunium and silicate significantly interact with each other, and thereby changing their individual hydrolysis and polymerization behavior. Silicate prevents the intrinsic formation of NpO2 NCs in fcc-structure, and at the same time, Np(IV) prevents the polymerization of silicate. Both processes result in the formation of Np(IV) silica colloids which possibly influence the migration behavior and fate of Np in the waste repositories and surrounding environments. For tetravalent actinides in general, the most significant transport in the environment would occur by colloidal particles. Therefore, Np(IV) silica colloids could have a significant implication in the migration of Np, the important minor actinide in the waste repositories, via colloidal transport.

Keywords: Actinides; neptunium; nanoparticles; nanocrystals; environmental chemistry

  • Doctoral thesis
    TU Dresden, 2015
    Mentor: Prof. Dr. Thorsten Stumpf
    113 Seiten

Publ.-Id: 22375

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