Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

Information tagging and processing are vital in information-intensive applications, e.g. telecommunication and high-throughput drug screening. Magnetic suspension arrays technology may offer intrinsic advantages to screening applications by enabling high distinguishability, the ease of code generation and the feasibility of fast code readout, though the practical applicability of magnetic suspension arrays technology remains hampered by the lack of quality administration of encoded microcarriers. Here we realize a logic-controlled microfluidic system enabling controlled synthesis of magnetic suspension arrays in multiphase flow networks. The smart and compact system offers a practical solution for the quality administration and screening of encoded magnetic microcarriers and addresses the universal need of process control for synthesis in microfluidic networks, i.e. on-demand creation of droplet templates for high information capacity. The demonstration of magnetic suspension arrays technology enabled by magnetic in-flow cytometry opens the avenue toward point-of-care multiplexed bead-based assays, clinical diagnostics and drug discovery.

Extending planar two-dimensional structures into the three-dimensional space has become a general trend in multiple disciplines, including electronics, photonics, plasmonics and magnetics. This approach provides means to modify conventional or to launch novel functionalities by tailoring the geometry of an object, e.g. its local curvature. In a generic electronic system curvature results in the appearance of scalar and vector geometric potentials inducing anisotropic and chiral effects. In the specific case of magnetism, even in the simplest case of a curved anisotropic Heisenberg magnet, curvilinear geometry brings about two exchangedriven interactions, namely effective anisotropy and antisymmetric vector exchange, i.e. effective Dzyaloshinskii-Moriya interaction. As a consequence, the family of novel curvature-driven effects emerges, which includes magnetochiral effects and topologically induced magnetization patterning, resulting in theoretically predicted unlimited domain wall velocities, chirality symmetry breaking and Cherenkov-like effects for magnons. The broad range of altered physical properties makes these curved architectures appealing in view of fundamental research on e.g. skyrmionic systems, magnonic crystals or exotic spin configurations. In addition to these rich physics, the application potential of three-dimensionally shaped objects is currently being explored as magnetic field sensorics for magnetofluidic applications, spin-wave filters, advanced magneto-encephalography devices for diagnosis of epilepsy or for energy-efficient racetrack memory devices. These recent developments starting from the theoretical predictions to the fabrication of three-dimensionally curved magnetic thin films, hollow cylinders or wires and their characterization using integral means as well as the development of advanced tomography approaches are in the focus of this review.

ZnTe thin films on Si substrates have been prepared by pulsed laser deposition and subsequent pulsed laser melting (PLM) treatment. The crystallization during PLM is confirmed by Raman scattering, x-ray diffraction and room temperature photoluminescence (PL) measurements. The PL results show a broad peak at 574 nm (2.16 eV), which can be assigned to the transitions from the conduction band to the acceptor level located at 0.145 eV above the valence band induced by zinc-vacancy ionization. Our work provides an applicable approach to low temperature preparation of crystalline ZnTe thin films.

Our ultrasound results obtained in pulsed magnetic fields show that the filled-skutterudite compound SmOs₄Sb₁₂ has the Γ₆₇ quartet crystalline-electric-field ground state. This fact suggests that the multipolar degrees of freedom of the Γ quartet play an important role in the unusual physical properties of this material. On the other hand, the elastic Response below ≈20 T cannot be explained using the localized 4f-electron model, which does not take into account the Kondo effect or ferromagnetic ordering. The analysis result suggests the presence of a Kondo-like screened state at low magnetic fields and its suppression at high magnetic fields above 20 T even at low temperatures.

A new inclined rotating tubular fixed bed reactor was recently suggested for process intensification of heterogeneous catalytic multiphase reactions. With that concept, favorable operating conditions can be adjusted operating the reactor in a wetting intermittency mode via periodic catalyst immersion in a stratified gas-liquid flow. This flow pattern adjustment, which requires a careful selection of reactor inclination and rotation, was found to eventually enhance the reaction rate.
In this work an attempt has also been made to predict the flow patterns using computational fluid dynamics. A three-dimensional model based on the relative permeability approach was developed, where gas and liquid phases flow co-currently downwards through the inclined rotating tubular fixed bed reactor. The simulation results are validated against experimental data. The model can clearly predict the four evolving pattern, i.e. stratified, sickle, annular and dispersed flow depending on the operating conditions. In particular, the effect of gas and liquid superficial velocity on liquid saturation and pressure drop for the stratified flow, the most beneficial one with regard to process intensification, was studied in detail, which revealed model predictions within the error range of 15%. It was further verified that the model is capable of correctly predicting the hydrodynamics for aqueous liquid mixtures with varying viscosity and surface tension.

In the present work, a new low-shear rotating reactor concept was introduced for process intensification of heterogeneous catalytic reactions in cocurrent gas-liquid downflow and upflow packed-bed reactors. In order to properly assess potential advantages of this new reactor concept, exhaustive hydrodynamic experiments were carried out using embedded low-intrusive wire mesh sensors. The effect of rotational velocities on liquid flow patterns in the bed cross-section, liquid saturation, pressure drop, and regime transition was investigated. Furthermore, liquid residence time and Péclet number estimated by a stimulus-response technique and a macro-mixing model were presented and discussed with respect to the prevailing flow patterns. The results revealed that the column rotation induces different flow patterns in the cross-section of packed bed operating in a concurrent downflow or upflow mode. Moreover, the new reactor concept exhibits a more flexible adjustment of pressure drop, liquid saturation, liquid residence time and back-mixing at constant flow rates.

Zwischen 10 und 1000 s nach dem Urknall bildeten sich während der Big Bang Nukleosynthese (BBN) die ersten leichten Elemente aus Protonen und Neutronen. Die primordialen Häufigkeiten dieser Elemente hingen von denWirkungsquerschnitten der beteiligten Kernreaktionen ab. Vergleiche zwischen den Ergebnissen nuklearer Netzwerkrechnungen mit astronomischen Beobachtungen bieten eine einzigartige Möglichkeit, etwas über das Universum zu dieser Zeit zu erfahren.
Da es für die p(n,g)d-Reaktion, die eine Schlüsselreaktion der BBN ist, kaum Messungen im relevanten Energiebereich gibt, beruht deren Reaktionsrate in Netzwerkrechnungen auf theoretischen Berechnungen. Darin fließen auch experimentelle Daten der Nukleon-Nukleon-Streuung, des Einfangquerschnitts für thermische Neutronen sowie (nach Anwendung des Prinzips des detaillierten Gleichgewichts) der d(g,n)p-Reaktion mit ein. Diese Reaktion, die Photodissoziation des Deuterons, ist bei BBN-Energien (Tcm = 20–200 keV) ebenfalls kaum vermessen. Die großen experimentelle Unsicherheiten machen Vergleiche mit den präzisen theoretischen Berechnungen schwierig. In den letzten Jahren wurde die d(g,n)p-Reaktion und insbesondere der M1-Anteil des Wirkungsquerschnitts mit quasi-monoenergetischen g-Strahlen aus Laser-Compton-Streuung oder durch Elektrodesintegration untersucht. Üblicherweise verwendete man für Messungen des d(g,n)p-Wirkungsquerschnitts entweder die auf wenige diskrete Energien beschränkte Strahlung des g-Zerfalls oder Bremsstrahlung, für die aber eine genaue Photonenflussbestimmung sowie der Nachweis von einem der Reaktionsprodukte und dessen Energie nötig ist. Da diese Energie im Bereich der BBN relativ gering ist, gab es bisher noch keine absoluten Messung des d(g,n)p-Wirkungsquerschnitts bei Tcm < 5 MeV mit Bremsstrahlung.
Das Ziel dieser Dissertation ist eine solche Messung mit einer Unsicherheit von 5 % im für die BBN relevanten Energiebereich und darüber hinaus bis Tcm ~ 2,5 MeV unter Verwendung gepulster Bremsstrahlung an der Strahlungsquelle ELBE. Dieser supraleitende Elektronenbeschleuniger befindet sich am Helmholtz-Zentrum Dresden-Rossendorf und stellte einen Elektronenstrahl hoher Intensität bereit. Die kinetische Elektronenenergie von 5 MeV wurde mit einem Browne-Buechner-Spektrometer präzise gemessen. Die Energieverteilung der in einer Niob-Folie erzeugten Bremsstrahlungsphotonen wurde berechnet. Die Photonenflussbestimmung nutzte die Kernresonanzstreuung an 27Al, das sich mit deuteriertem Polyethylen in einem mehrschichtigen Target befand. Die 27Al-Abregungen wurden mit abgeschirmten, hochreinen Germanium-Detektoren nachgewiesen, deren Effektivität mit GEANT4 simuliert und durch Quellmessungen normiert wurde. Die Messung der Energie der Neutronen aus der d(g,n)p-Reaktion erfolgte mittels deren Flugzeit in Plastikszintillatoren, die an zwei Seiten von Photoelektronenvervielfachern mit hoher Verstärkung ausgelesen wurden. Die Nachweiseffektivität dieser Detektoren wurde in einem eigenen Experiment in den Referenz-Neutronenfeldern der PTB Braunschweig kalibriert. Die Nachweisschwelle lag bei etwa 10 keV kinetischer Neutronenenergie.Wegen der guten Zeitauflösung der Neutronendetektoren und des ELBE-Beschleunigers genügte eine Flugstrecke von nur 1 m. Die Energieauflösung betrug im d(g,n)p-Experiment 1–2 %. Leider gingen viele Neutronen bereits durch Streuung in dem großen Target verloren oder sie wurden erst durch Teile des kompakten Experimentaufbaus in die Detektoren gestreut. Beide Effekte wurden mit Hilfe von FLUKA simuliert um einen Korrekturfaktor zu bestimmen, der aber bei niedrigen Energien relativ groß war.
Der d(g,n)p-Wirkungsquerschnitts wurde daher nur im Bereich 0.7 MeV < Tcm < 2.5 MeV bestimmt. Die Ergebnisse stimmen mit anderen Messungen, Daten-Evaluierungen sowie theoretischen Rechnungen überein. Die Gesamtunsicherheit beträgt circa 6.5 % und kommt zu fast gleichen Teilen von den statistischen und systematischen Unsicherheiten. Die statistische Unsicherheit könnte durch eine längere FLUKA Simulation noch von 3–5 % auf 1 % verringert werden. Die systematische Unsicherheit von 4.5 % ist vorrangig auf die Photonenflussbestimmung, die Neutronen-Nachweiseffektivität und die Target-Zusammensetzung zurückzuführen.

Previous water hammer tests have revealed pressure spikes in the cavitation area. With the aim of explaining the phenomena and enhancing the understanding of the pressure hammer phenomenon in general, a high speed imaging (HSI) setup was installed at the test bench. To complement the high speed imaging a wire mesh sensor was used. The wire mesh sensor (WMS) allowed the measurement of the cross-sectional void fracture distribution in the pipe while the flow was cavitating. The results of the measurements will be presented and discussed.

Betatron radiation emitted by accelerated electrons in laser-wakefield accelerators can be used as a diagnostic tool to investigate electron dynamics during the acceleration process. We analyse the spectral characteristics of the emitted betatron pattern utilizing a 2D x-ray imaging spectroscopy technique. Together with simultaneously recorded electron spectra and x-ray images, the betatron source size, thus the electron beam radius, can be deduced at every shot.

The Weyl semimetal NbP was found to exhibit topological Fermi arcs and exotic magnetotransport properties. Here, we report on magnetic quantum-oscillation measurements on NbP and construct the three-dimensional Fermi surface with the help of band-structure calculations. We reveal a pair of spin-orbit-split electron pockets at the Fermi energy and a similar pair of hole pockets, all of which are strongly anisotropic. The Weyl points that are located in the k_z ≈ π/c plane are found to exist 5 meV above the Fermi energy. Therefore, we predict that the chiral anomaly effect can be realized in NbP by electron doping to drive the Fermi energy to the Weyl points.

To investigate a field-induced level crossing of the ground-state doublet in PrTr₂Zn₂₀ (Tr = Rh, Ir), we performed ultrasonic measurements in pulsed magnetic fields applied along the [110] and [001] directions and analyzed the results in the framework of the strain-susceptibility approach. Above 40 T for H ∣∣ [110], we observed an elastic softening of the transverse modulus (C₁₁ − C₁₂)/2 corresponding to the ground-state doublet. In both compounds the softening is followed by a minimum at about 47 T at low temperatures. We predict the presence of a new field-induced phase boundary in PrTr₂Zn₂₀ at this field with two possible cases. The magnetic field of the minimum cannot be explained by only the quadrupole interaction.

We performed small-angle neutron scattering (SANS) measurements on the helimagnetic spinel compound ZnCr₂Se₄. The ground state of this material is a multi-domain spin-spiral phase, which undergoes domain selection in a magnetic field and reportedly exhibits a transition to a proposed spin-nematic phase at higher fields. We observed a continuous change in the magnetic structure as a function of field and temperature, as well as a weak discontinuous jump in the spiral pitch across the domain-selection transition upon increasing field. From our SANS results we have established the absence of any long-range magnetic order in the high-field (spin-nematic) phase. We also found that all the observed phase transitions are surprisingly isotropic with respect to the field direction.

Rigid-lattice Kinetic Monte Carlo simulations are performed in order to investigate the modification of Y-Ti-O nanoclusters during irradiation, at selected temperatures, doses and dose rates. The simulations use input parameters for the atomic interactions and the migration barriers obtained by DFT calculations as well as data on representative examples of the cascade debris determined by Molecular Dynamics. Before irradiation the nanostructure is prepared by performing thermal relaxation of a system with randomly distributed Y, Ti, O atoms, and vacancies. The concentration of Y, Ti, and O is chosen according to the common 14 YWT ODS alloy and both low and high vacancy contents are considered. The nanostructures obtained in the preparation step were used subsequently in KMC simulations of irradiation. The results demonstrate the competition between ballistic effects leading to the dissolution and the growth of the clusters. While the former effect dominates at high doses and low temperatures the latter prevails at low doses and high temperatures. On the other hand, the nanoclusters formed in the preparation step show a very high stability under irradiation within the temperature and dose range relevant for the application of ODS alloys in advanced nuclear reactors. The findings of this work are consistent with the results of experimental studies of ion and neutron irradiation of ODS alloys.

Two novel 46-membered Co(II) metallomacrocycles, Co2Cl4(L1)2]∙CH2Cl2 and [Co2(NO3)2(L1)2(H2O)2 ligand L4 was also demonstrated to form metallogels when reacted with NiCl2∙6H2O in tetrahydrofuran under defined conditions.

Die Radiokarbondatierung (C-14) ist insbesondere durch die hochsensitive Beschleunigermassenspektrometrie (accelerator mass spectrometry = AMS) seit Jahrzehnten ein Standardverfahren in der Archäometrie. Das Potential anderer Radionuklide wie Ca-41, Cl-36 und Be-10 mit längeren Halbwertszeiten (0.1-1.4 Ma) ist jedoch noch weitestgehend unausgeschöpft. Dies liegt u. a. an den technologischen, physikalischen und geo- und umweltwissenschaftlichen Einschränkungen und Schwierigkeiten, die zwingend berücksichtigt werden müssen, um eine akkurate Datierung zu ermöglichen.
So ist die indirekte Datierung von in Sedimenten abgelagerten Artefakten bis hin zu einigen Millionen Jahren durch die AMS-Bestimmung des in der Atmosphäre gebildeten Be-10 nur möglich, wenn der lokale Startwert des Be-10/Be-9-Verhältnisses bekannt ist.
Die direkte Altersbestimmung von Knochen über das „in-situ“ gebildete Ca-41 und Aufnahme entlang der Nahrungskette scheint aufgrund der extrem niedrigen Ca-41/Ca-Verhältnisse methodisch noch schwierig zu sein. Technologische Weiterentwicklungen auf dem Gebiet der AMS-Ionenquellen scheinen aber vielversprechend, die Methode in den nächsten Jahren zur Anwendung zu bringen.
Die Datierung von historischen Bauwerken aus kalziumhaltigen Baumaterialien (z. B. Kalkstein) mittels „in-situ“-produzierten Cl-36 ist wegen der Vorbestrahlung der Materialien vor der menschlichen Verwendung bis hin zu Tiefen von 30 m nur eingeschränkt möglich. Sie führt in der Regel zu überschätzten Altern. Gleiches gilt für Einritzungen und Zeichnungen an Oberflächengesteinen.

Purpose:

Retrospective calculation of the delivered proton dose in prostate cancer patients based on a unique dataset of daily CT images.
Methods:
Inter-fractional motion in prostate cancer patients treated at our proton facility is counteracted by water-filled endorectal ballon and bladder filling protocol. Typical plans (XiO, Elekta Instruments AB, Stockholm) for 74 Gy(RBE) sequential boost treatment in 37 fractions include two series of opposing lateral double-scattered proton beams covering the respective iCTV. Stability of fiducial markers and anatomy were checked in 12 patients by daily scheduled in-room control CT (cCT) after immobilization and positioning according to bony anatomy utilizing orthogonal X-ray. In RayStation 4.6 (RaySearch Laboritories AB, Stockholm), all cCTs are delineated retrospectively and the treatment plans were recalculated on the planning CT and the registered cCTs. All fraction doses were accumulated on the planning CT after deformable registration. Parameters of delivered dose to iCTV (D_98%>95%, D_2% <107%), bladder (V_75Gy <15%, V_70Gy <25%, V_65Gy <30%), rectum (V_70Gy <10%, V_50Gy <40%) and femoral heads (V_50Gy <5%) are compared to those in the treatment plan. Intra-therapy variation is represented in DVH bands.
Results:
No alarming differences were observed between planned and retrospectively accumulated dose: iCTV constraints were met, except for one patient (D_98%=94.6% in non-boosted iCTV). Considered bladder and femoral head values were below the limits. Rectum V_70Gy was slightly exceeded (<11.3%) in two patients.
First intra-therapy variability analysis in 4 patients showed no time-dependent parameter drift, revealed strongest variability for bladder dose. In some fractions, iCTV coverage (D_98%) and rectum V_70Gy was missed.
Conclusion:
Double scattered proton plans are accurately delivered to prostate cancer patients due to fractionation effects and the applied precise positioning and immobilization protocols. As a result of rare interventions after daily 3D imaging of the first 12 patients, in-room CT frequency for prostate cancer patients was reduced. The presented study supports this decision.

The study presents the first series of daily in-room CT images acquired from the first 12 prostate cancer patients after proton-specific immobilization and positioning procedures and followed by actual proton radiotherapy at the University Proton Therapy Dresden. Based on this unique dataset, the actually delivered proton dose is calculated retrospectively for each fraction, analyzed for inter-fractional variability and accumulated to a total dose for comparison with the treatment plan.

Introduction: The steep dose gradients and small number of treatment fields require reproducible anatomical geometry and positioning in proton therapy to secure an accurate dose delivery. Prostate cancer is known to be subjected to inter-fractional variation due to day-to-day variation in bowel, rectum and bladder filling. Adequate positioning and treatment protocols were investigated prior the start of proton therapy to prostate cancer patients in our institute [1]. The presented study analyzes the suitability of these protocols by means of a retrospective evaluation of actually delivered proton dose in comparison to the treatment plan.

Material and Methods: Inter-fractional motion in prostate cancer patients treated at the University Proton Therapy Dresden is counteracted by water-filled endorectal ballon and bladder filling protocol. Patient positioning is based on bony anatomy match utilizing orthogonal X-Ray imaging. Stability of implanted fiducial markers and anatomy were checked in the first 12 patients by daily scheduled in-room control CT (cCT) after immobilization and positioning. Typical plans (XiO, Elekta Instruments AB, Stockholm) for 74 Gy(RBE) sequential boost treatment in 37 fractions include two series of opposing lateral double-scattered proton beams covering the respective internal clinical target volume (iCTV). In RayStation 4.6 (RaySearch Laboritories AB, Stockholm), all cCTs are delineated retrospectively and the treatment plans were recalculated on the planning CT and the registered cCTs. All fraction doses were accumulated on the planning CT after deformable registration. Parameters of delivered dose to iCTV (D_98% > 95%, D_2% < 107%), bladder (V_75Gy < 15%, V_70Gy < 25%, V_65Gy < 30%), rectum (V_70Gy < 10%, V_50Gy < 40%) and femoral heads (V_50Gy < 5%) are compared to those in the treatment plan. Intra-therapy variation is represented in DVH bands.

Result: Due to CT maintenance, physician’s decision and initial workflow optimization, the median number of actually acquired cCTs within 37 fractions was 32 (range: 27-37). Seven patients received the sequential boost series prior the nominal series due to concerns that anatomy might change noticeably during six weeks of therapy and then margin concepts might be insufficient. One patient received a nominal plan of 37 fractions to an iCTV excluding seminal vesicles.
First intra-therapy variability analysis in 5 patients showed no time-dependent parameter drift and revealed strongest variability for bladder dose. In some fractions, iCTV coverage (D_98%) and rectum V_70Gy was missed. An illustration of the dosimetric evaluation is shown for an exemplary patient in Figure 1.
No alarming differences (cp. Table 1) were observed between planned and retrospectively accumulated dose for all 12 patients: iCTV constraints were met, except for one patient (D_98% = 94.4% in non-boosted iCTV). Considered bladder and femoral head dosimetric values were below the limits. Rectum V_70Gy was slightly exceeded (<11%) in two patients.

Conclusion: Double scattered proton plans are accurately delivered to prostate cancer patients due to fractionation effects and the applied precise positioning and immobilization protocols. As a result of rare interventions after daily 3D imaging of the first 12 patients, in-room CT frequency for prostate cancer patients was reduced. The presented study supports this decision.

[1] M. Schneidt et al. (2015) Prospective evaluation of patient positioning for interfractional variation in proton therapy of prostate cancer. 3rd ESTRO Forum, Barcelona

Purpose/Objective:

To improve CT-based particle treatment planning the additional tissue information provided by dual-energy CT (DECT) compared to single-energy CT (SECT) can be clinically used to reduce CT-based range uncertainties and to analyze intra- and interpatient tissue variations. First, a DECT scan protocol was optimized and clinically introduced. Second, in a first analysis patient DECT scans were evaluated concerning CT number variability.

Material and Methods:

After an experimental analysis of several CT scan settings concerning beam hardening, image quality and planned dose distribution using tissue surrogates, head and body phantoms and real tissues, an optimized and standardized DECT protocol (voltages: 80/140 kVp, kernel: D34) is clinically applied for patients treated with protons. 45 planning and 360 control DECT scans of overall 70 patients were acquired with a single-source DECT scanner (Siemens SOMATOM Definition AS) until October 2015. Contouring and treatment planning are performed on pseudo-monoenergetic CT scans (MonoCT) derived by a weighted sum of both CT datasets. 25 patients with different tumor sites (head, head & neck, prostate, pelvis) and overall 200 DECT scans were initially investigated to evaluate intra- and interpatient tissue variabilities. Based on the frequency distribution of voxelwise 80/140kVp CT number pairs, a linear correlation of low-density, soft and bony tissues can be determined, respectively.

Results:

A DECT-based MonoCT of 79 keV is found optimal for proton treatment planning. Assuming identical CT dose to a SECT scan, the MonoCT shows a signal-to-noise ratio increased by 8% and a CT number constancy raised by 23% on average and up to 69% for bones. Consequently, the current uncertainties of a heuristic conversion of CT numbers into stopping power ratios (SPR) using a look-up table are reduced.
Evaluation of patient variability revealed that 80/140kVp CT number pairs of human tissues are on average well described by linear correlations with a slope (± σ) of (1.023 ± 0.006) for low-density, (0.825 ± 0.008) for soft and (0.696 ± 0.006) for bony tissues. The slope variation between different patients, independent from tumor site and patient size, is comparable to the variability between different control DECT scans of one patient (σ of about 1-3%). However, a band of CT number pairs deviating from the mean linear correlation, e.g. caused by image noise and partial volume effects, reveals potential insuperable uncertainties of a voxel-based heuristic CT number-to-SPR conversion.

Conclusions:
The clinical application of DECT-based MonoCT can contribute to a more precise range prediction. Further improvements are expected from a direct, non-heuristic SPR calculation, which is not yet clinically available. The further growing DECT patient database enables not only a detailed analysis of intra- and interpatient variations, but also a robustness analysis for different direct SPR prediction approaches.

In this article, we demonstrate how colloidal self-assembly and non-equilibrium dynamic processes can be enhanced by anisotropic particles. As an example, we study spherical particles with radially off-centered net magnetic moment in an oscillating field. Based on complementary data from a numerical simulation of spheres with shifted dipole and experimental observations from particles with hemispherical ferromagnetic coating, it is explained how this magnetic asymmetry gives rise to dynamic structural and orientational phenomena on a two-particle basis. We further present the behavior of ensembles of coated particles. It illustrates the potential for controlled reconfiguration based on the presented two-particle dynamics.

A new SRF gun has been commissioned at the ELBE linac. The gun has an improved 3.5-cell cavity and a superconducting solenoid is integrated. Beam parameter measurements have been carried out with a Cu photocathode.

Picosecond direct laser interference patterning is investigated theoretically and experimentally for the bulk metals copper, stainless steel and titanium. In the past, results on thermal modelling for nanosecond irradiation were reported for pitches in the range of several micrometers. When nanosecond pulses are utilized, the smallest possible pitch on metals is limited by the thermal diffusion length. In this case, the laser patterning process is predominantly determined by heat conduction mechanisms, and pitches less than 1 μm are not feasible. Picosecond laser pulses allow values below 1 μm pitch size on metallic surfaces. The modelling and simulation of DLIP is based on the two-temperature-model and was carried out for a pulse duration of 35 ps at 515 nm wavelength and a laser fluence of 0.1 J cm-2. The subsurface temperature distribution of both electrons and phonons was computed for periodic structures with a pitch of 0.8 μm. The increase in temperature rises for a lower absorption coefficient and a higher thermal conductivity (larger absorption depth) . The distance, at which the maximum subsurface temperature occurs, increases for a small absorption coefficient. High absorption and low thermal conductivity minimizes internal heating and give rise to a pronounced surface micro topography with pitches smaller than 1 μm. Periodic line-like surface structures were produced using two interfering beams on copper, stainless steel and titanium surfaces with a pitch of 0.7 μm using a Yb:YAG-Laser with 515 nm wavelength and a pulse duration of 35 ps.

In this article, we develop a conceptual model of stakeholder integration in new product development (NPD) that (i) explains the drivers of the process and (ii) proposes a framework of capabilities that firms need for successful stakeholder integration. The focus lies on external stakeholders that directly influence the adoption of new products. We conduct a systematic literature review and content analyze a sample of 96 peer-reviewed journal articles. The study is restricted to the medical device industry to enable the use of specific search terms and the consistent categorization of information. We dedicate a section to showing how the framework applies to other settings. The drivers of stakeholder integration are classified into push factors (i.e., expected benefits for the focal firm) and pull factors (i.e., expected benefits for the stakeholders). This study provides an initial model of how stakeholder integration works based on its drivers. In addition, three related stakeholder integration capabilities emerge: stakeholder identification capability, stakeholder interaction capability and stakeholder input integration capability. The paper proposes a description of these capabilities for stakeholder integration in NPD and, thus, contributes to stakeholder theory and research on the management of NPD. The results open new paths for empirical testing and offer practical guidance on how to successfully integrate stakeholders in NPD processes.

Sorption on mineral surfaces is an important retardation process to be considered in safety assessments of both chemotoxic and radioactive waste repositories. Most often conventional conservative concepts with temporally and spatially constant distribution coefficients (Kd‑values) are applied in reactive transport simulations.
This work describes, for the first time, a new methodology, where temporally and spatially variable distribution coefficients, so‑called smart Kd‑values were calculated for a more realistic description of sorption processes. This concept is based on a Bottom-Up approach (Davis 1998) of a competitive mineral-specific sorption of dissolved species on surfaces, combining surface complexation models with ion exchange and precipitation in a quasi-thermodynamic manner. The respective multi-dimensional matrices are computed a-priori to any run of the reactive transport codes (here: r³t, Fein 2004). During the run of such transport codes respective calls to the Kd–matrix with an appropriate averaging deliver parameter-specific Kd–values.
Three computer codes were coupled to form one tool: PHREEQC, UCODE and SIMLAB. This strategy has various benefits: (1) One can calculate smart Kd‑values for a reasonable number of environmental parameter combinations; (2) It is possible to perform uncertainty and sensitivity analysis based on such smart Kd‑matrices; (3) The approach is highly flexible with respect to chemical reactions and environmental conditions; (4) The overall methodology is much more efficient in computing time than a direct coupling of the geochemical speciation code with reactive transport codes.
The capability of this new methodology is demonstrated for the sorption of radioactive waste repository-relevant elements such as U, Am, or Np on a natural sandy aquifer. This served as a proof-of-concept for the new methodology to describe the sorption behavior in dependence of changing geochemical conditions. Results were compared to conservative Kd–values from literature used so far.

Fig 1: Kd histogramm for Am(III) in the upper aquifer of the Gorleben cap rock
Sensitivity and uncertainty analysis for the nuclides revealed the importance of ternary interaction effects, the non-concervatism of some generic distribution coefficients used so far, and the effects of input parameter correlation. Moreover, a ranking of the sensitivity of the environmental parameters nearly always put pH value, dissolved inorganic carbon and the content of matrix cations in the first places. Consequently, the mechanistic processes involving them (and their error distribution functions) should deserve higher attention in future research schemes.
References
Davis, J. A., Coston, J. A., Kent, D. B., Fuller, C. C. (1998): Application of the surface complexation concept to complex mineral assemblages. Environ. Sci. Technol. 32, 2820-2828.
Fein, E. (2004): Software Package r³t. Model for Transport and Retention in Porous Media. Report GRS-192, Braunschweig.

We investigate the interaction between charges and spin order of the defect complex V6 in silicon. The first-principles calculations predict spin resolved band splitting incurred by a neutral V6 yet with no net spin. Therefore, any shift of Fermi level can trigger the spin polarization. Both s and p states contribute local moments in the positively charged V6. The ferromagnetic coupling is only obtained between a positively charged V6 and a neutral one. In silicon after neutron irradiation, magnetism is achieved even at room temperature. The 3s∗3p∗ hybrid states of V6 are probably responsible for the observed long-range magnetic order. Our results unravel the role of charged V6 in inducing magnetism and will be useful in understanding and further manipulating the intrinsic properties of defect complexes in silicon and other semiconductors.

Perennially-frozen deposits are considered as excellent paleoenvironmental archives similar to lacustrine, deep marine, and glacier records because of the long-term and good preservation of fossil records under stable permafrost conditions. A permafrost tunnel in the Vault Creek Valley (Chatanika River Valley, near Fairbanks) exposes a sequence of frozen deposits and ground ice that provides a comprehensive set of proxies to reconstruct the late Quaternary environmental history of Interior Alaska. The multi-proxy approach includes different dating techniques (radiocarbon-accelerator mass spectrometry [AMS 14C], optically stimulated luminescence [OSL], thorium/uranium radioisotope disequilibria [230Th/U]), as well as methods of sedimentology, paleoecology, hydrochemistry, and stable isotope geochemistry of ground ice.

The studied sequence consists of 36-m-thick late Quaternary deposits above schistose bedrock. Main portions of the sequence accumulated during the early and middle Wisconsin periods. The lowermost unit A consists of about 9-m-thick ice-bonded fluvial gravels with sand and peat lenses. A late Sangamon (MIS 5a) age of unit A is assumed. Spruce forest with birch, larch, and some shrubby alder dominated the vegetation. High presence of Sphagnum spores and Cyperaceae pollen points to mires in the Vault Creek Valley. The overlying unit B consists of 10-m-thick alternating fluvial gravels, loess-like silt, and sand layers, penetrated by small ice wedges. OSL dates support a stadial early Wisconsin (MIS 4) age of unit B. Pollen and plant macrofossil data point to spruce forests with some birch interspersed with wetlands around the site. The following unit C is composed of 15-m-thick ice-rich loess-like and organic-rich silt with fossil bones and large ice wedges. Unit C formed during the interstadial mid-Wisconsin (MIS 3) and stadial late Wisconsin (MIS 2) as indicated by radiocarbon ages. Post-depositional slope processes significantly deformed both, ground ice and sediments of unit C. Pollen data show that spruce forests and wetlands dominated the area. The macrofossil remains of Picea, Larix, and Alnus incana ssp. tenuifolia also prove the existence of boreal coniferous forests during the mid-Wisconsin interstadial, which were replaced by treeless tundra-steppe vegetation during the late Wisconsin stadial. Unit C is discordantly overlain by the 2-m-thick late Holocene deposits of unit D. The pollen record of unit D indicates boreal forest vegetation similar to the modern one.

The permafrost record from the Vault Creek tunnel reflects more than 90 ka of periglacial landscape dynamics triggered by fluvial and eolian accumulation, and formation of ice-wedge polygons and post-depositional deformation by slope processes. The record represents a typical Wisconsin valley-bottom facies in Central Alaska.

The synthesis of multimodal imaging agents is indeed a growing field and a lot of research is currently being done in this area because of its wide biomedical applications.[1] The idea behind this research is to prepare a single molecule/nanoparticle which is suitable for two or more imaging techniques and thus can act as a multimodal imaging agent, for example, the combination of optical and nuclear imaging modalities may provide complementary information for improving diagnosis as well as the treatment of diseases. These imaging agents combat the limitations of sensitivity, spatial and temporal resolution and also tissue penetrability. The high hydrophilicity of the nanoparticles and fast renal clearance of the complex from the body are the major highlights.
Amine terminated ultrasmall Silicon nanoparticles[2] (Si NPs) of size <5 nm were synthesized by hydrothermal method and purified by dialysis. Sulfo-Cyanine 5[3] dye was attached selectively to the amine terminated Si NPs. The single domain antibody is also conjugated with the particles for specific targeting of the cancerous tumors via a molecular handle such as PEG-Maleimide, which facilitates the targeting as well as maintains the hydrophilicity of the particles at the same time. Bispidines[4] are to be used as a copper chelator for radiolabeling the particles by 64Cu and could be used for the in vitro and in vivo studies by Positron emission tomography.
The substituents after coupling with the USNPs are assumed to act as excellent multimodal imaging agent which can be used for the cancer diagnosis and therapy.

References
[1] G. J. Cheon, Y. Chang, J. Yoo, J. Cheon, Angew. Chem. 2008, 120, 6355 –6358.
[2] Y. Zhong, F. Peng, F. Bao, S. Wang, X. Ji, L. Yang, Y. Su, S. Lee, Y. He, J. Am. Chem. Soc. 2013, 135, 8350−8356.
[3] K. Viehweger, L. Barbaro, K. P. García, T. Joshi, G. Geipel, J. Steinbach, H. Stephan, L. Spiccia, B. Graham, Bioconjugate Chem. 2014, 25, 1011−1022.
[4] H. Stephan, M. Walther, S. Fähnemann, P. Ceroni, J. Molloy, G. Bergamini, F. Heisig, C. E. Müller, W. Kraus, P. Comba, Chem. Eur. J. 2014, 20, 17011-17018.

We investigate the magnetic properties of TaAs, a prototype Weyl semimetal. TaAs crystals show diamagnetism with magnetic susceptibility of about −7×10−7 emu/(g Oe) at 5 K. A general feature is the appearance of a minimum at around 185 K in magnetization measurements as a function of temperature, which resembles that of graphite. No phase transition is observed in the temperature range between 5 K and 400 K.

Positron emission tomography (PET) is a means of imaging the β⁺-activity produced by the radiation field in ion beam therapy and therefore for treatment verification. Prompt Γ-rays that are emitted during beam application challenge the detectors and electronics of PET systems, since those are designed for low and medium count rates. Typical PET detectors operated according a modified Anger principle suffer from multiple events at high rates. Therefore, in-beam PET systems using such detectors rely on a synchronization of beam status and measurement to reject deteriorated data.

In this work, a method for pile-up rejection is applied to conventional Anger logic block detectors. It allows for an in-beam data acquisition without further synchronization.

Though cyclotrons produce a continuous wave beam, the radiation field shaping technique introduces breaks in the application.
Time regimes mimicking synchrotrons as well as cyclotron based ones using double-scattering or pencil beam scanning field shaping at dose rates of 0.5, 1.0 and 2.0 Gy/min were investigated. Two types of inhomogeneous phantoms were imaged. The first one simulates cavity structures, the other one mimics a static lung irradiation.

It could be shown that, depending on the dose rate and the beam time structure, in-beam measurement including a few seconds decay time only, yield images which revealed all inhomogeneities in the phantoms. This technique can be the basis for the development of an in-beam PET system with traditional detectors and off-the-shelf electronics.

Detailed knowledge of the radionuclide transfer in the environment including the food chain represents the basis for the reliable assessment of the resulting risk potential for human and wildlife. In order to improve the knowledge of the underlying processes, interaction processes of plants with actinides are studied (e.g., [1-3]). Due to the interaction with heavy metal ions, plants segregate metal chelates into the rhizosphere, store metal chelates in vacuoles or synthesize protective metabolites that can bind metal ions and consequently reduce their availability in the cytoplasm [4].

In the present work we study the interaction of uranium(VI) with canola cell suspensions (Brassica napus) as a function of the uranium(VI) concentration. The influence of uranium(VI) on the cell metabolism is studied by microcalo-rimetry. Our results show that in the presence of uranium(VI) concentrations >100 µM the heat flow generated by the cells is decreased, which indicates a lower metabolic activity of the cells compared to control samples cultivated in the absence of uranium(VI). These results agree to cell viability data measured applying the MTT test [5]. Furthermore, we study the release of plant cell metabolites in consequence of the cell contact with uranium(VI). Focusing on flavonoids, flavonoid glycosides, and phenolic acids, a solid phase extraction method coupled with high-performance liquid chromatography is developed. This method allows the separation and enrichment of cell metabolites from the nutrient medium as well as their fractionation as basis for their further identification. Knowledge of an element’s speciation is crucial for understanding its biochemical and biological behavior. Therefore, the uranium(VI) speciation in the nutrient medium is determined by time-resolved laser-induced fluorescence spectroscopy and calculated by thermodynamic modeling. The objective is to correlate the influence of uranium(VI) on the metabolic activity of the cells with the uranium(VI) speciation in the nutrient medium.

ACKNOWLEDGEMENTS
The authors thank J. Seibt, S. Heller, J. Philipp, and S. Gurlit for their technical support.

REFERENCES
[1] Günther, A. et al. (2003) Radiochim. Acta 91, 319-328.
[2] Laurette, J. et al. (2012) Environ. Exp. Bot. 77, 96-107.
[3] Geipel, G. et al. (2015) Biometals 28, 529-539.
[4] Weiler, E., Nover, L. (2008) Allgemeine und molekulare Botanik, Thieme, Stuttgart.
[5] Mosmann, T. (1983) J. Immunol. Meth. 65, 55-63.

Die Effizienz von Verdampfungssystemen hängt maßgeblich von der übertragbaren Wärmestromdichte ab. Eine Leistungssteigerung ist durch das Auftreten der Siedekrise limitiert. Dabei kommt es durch ein abruptes Abfallen des Wärmeübergangskoeffizienten in leistungsbestimmten Systemen zu einem starken Temperaturanstieg der Heizfläche, welcher zu einem Versagen der Strukturelemente führen kann. Sicherheitsmargen sorgen in industriellen Anwendungen für einen ausreichenden Schutz vor diesem kritischen Zustand. Mit einer verlässlichen Vorhersage der Siedekrise können diese Margen allerdings reduziert werden. Durch Experimente mit hochaufgelöster Messung der Wandtemperatur und Bestimmung der Phasenverteilung während des Siedens werden Verdampfungsprozesse besser verstanden und CFD-Modell-Entwicklung unterstützt.

Nucleate boiling is one of the main heat transfer mechanism in safety analysis of nucleate power plants. Thereby the decision if the boiling crisis is occurs is on central aspect and main purpose of this study. The MORENA experiment is designed to make a contribution towards the understanding of the influence of local two-phase flow structures on the boiling crisis by the help of fast electron beam X-ray tomography (ROFEX) and infrared thermography.

Both prokaryotic and eukaryotic organisms possess mechanisms for the detoxification of heavy metals, which are found among distantly related species. We investigated the role of intracellular glutathione (GSH), which in a large number of taxa plays a role in the protection against the toxicity of common heavy metals. Anaerobically grown Lactococcus lactis containing an inducible GSH synthesis pathway was used as a model organism. Its physiological condition allowed study of putative GSH-dependent uranyl detoxification mechanisms without interference from additional reactive oxygen species. By microcalorimetric measurements of the metabolic heat during cultivation, it was shown that intracellular GSH attenuates the toxicity of uranium at a concentration in the range of 10-150 µM. In this concentration range, no effect was observed with copper which was used as a reference for redox-metal toxicity. At higher copper concentrations, GSH aggravated metal toxicity. Isothermal titration calorimetry revealed the endothermic binding of U(VI) to the carboxyl group(s) of GSH, rather than to the reducing thiol group involved in copper interactions. The data indicate that the primary detoxifying mechanism is the intracellular sequestration of carboxyl-coordinated U(VI) into an insoluble complex with GSH. The opposite effects on uranyl and on copper toxicity can be related to the difference in coordination chemistry of the respective metal-GSH complexes, which cause distinct growth phase-specific effects on enzyme metal interactions.

Asymmetric quantum well systems are excellent candidates to realize semiconductor light emitters at far-infrared wavelengths not covered by other gain media. Group-IV semiconductor heterostructures can be grown on silicon substrates, and their dipole-active intersubband transitions could be used to generate light from devices integrated with silicon electronic circuits. Here, we have realized an optically pumped emitter structure based on a three-level Ge/Si0.18Ge0.82 asymmetric coupled quantum well design. Optical pumping was performed with a tunable free-electron laser emitting at photon energies of 25 and 41 meV, corresponding to the energies of the first two intersubband transitions 0 → 1 and 0 → 2 as measured by Fourier-transform spectroscopy. We have studied with a synchronized terahertz timedomain spectroscopy probe the relaxation dynamics after pumping, and we have interpreted the resulting relaxation times (in the range 60 to 110 ps) in the framework of an out-of-equilibrium model of the intersubband electron−phonon dynamics. The spectral changes in the probe pulse transmitted at pump−probe coincidence were monitored in the range 0.7−2.9 THz for different samples and pump intensity and showed indication of both free carrier absorption increase and bleaching of the 1 → 2 transition. The quantification from data and models of the free carrier losses and of the bleaching efficiency allowed us to predict the conditions for population inversion and to determine a threshold pump power density for lasing around 500 kW/cm2 in our device. The ensemble of our results shows that optical pumping of germanium quantum wells is a promising route toward siliconintegrated far-infrared emitters.

This paper summarizes studies in the field of growth and characterization of multi-crystalline (mc) silicon ingots performed within the Cluster of Excellence "Structure Design of Novel High-Performance Materials via Atomic Design and Defect Engineering (ADDE)". Experimental results on the interaction between impurities, inclusions, dislocations and grain boundaries in multi-crystalline (mc) silicon ingots grown from well-mixed and poorly mixed melts in graphite-containing and graphite free configurations are presented. The ingots were grown in a high-vacuum induction furnace by the vertical Bridgman (VB) method and the degree of impurity mixing within the melt was modified by changing the growth configuration and the growth rate. Vertical and horizontal slices were prepared from the ingots and analyzed by Fourier transform IR spectroscopy, as well as reflected-light and IR transmission microscopy to measure the axial carbon concentration and the distribution of dislocations or inclusions, respectively. The correlation between individual inclusions and dislocations has been investigated by correlative reflected-light/IR transmission and scanning electron microscopy in both setups. The influence of the melt mixing on the segregation of carbon is demonstrated and discussed with respect to the consequences for the formation of inclusions and dislocation clusters in multi-crystalline silicon. Additionally the alignment of dislocations in samples from VB-grown ingots and wafers from edge-defined film-fed (EFG) growth are investigated. Crystallographic orientations of single grains and dislocation structures are analyzed by electron backscatter diffraction and by the "traces on two parallel surfaces" method. The influence of the growth and cooling conditions on the final alignment of dislocations in mc-Si is discussed and explained.

This work presents the first demonstration of a semiconductor based plasmonic near-field superlens, utilizing highly doped GaAs to generate infrared optical images with a spatial resolution beyond the difraction limit. Being easily transferable to other semiconductor materials, the concept described in this thesis can be exploited to realize spectrally adjustable superlenses in a wide spectral range. The idea of superlensing has been introduced theoretically in 2000, followed by numerous publications including experimental studies. The effect initiated great interest in optics, since in contrast to difraction limited conventional optical microscopy it enables subwavelength resolved imaging by reconstructing the evanescent waves emerging from an object. With techniques like scanning near-field optical microscopy (SNOM) and stimulated emission depletion (STED) being already successfully established to overcome the conventional restrictions, the concept of superlensing provides a novel, different route towards high resolution. Superlensing is a resonant phenomenon, relying either on the excitation of surface plasmons in metallic systems or on phonon resonances in dielectric structures. In this respect a superlens based on doped semiconductor benefits from the potential to be controlled in its operational wavelength by shifting the plasma frequency through adjustment of the free carrier concentration.
For a proof of principle demonstration, we investigate a superlens consisting of a highly n-doped GaAs layer (n = 4 x 10^18 cm-3) sandwiched between two intrinsic layers. Recording near-field images of subwavelength sized gold stripes through the trilayer structure by means of SNOM in combination with a free-electron laser, we observe both enhanced signal and improved spatial resolution at radiation wavelengths close to l = 22 µm, which is in excellent agreement with simulations based on the Drude-Lorentz model of free electrons. Here, comparative investigations of a purely intrinsic reference sample confirm that the effect is mediated by the charge carriers within the doped layer. Furthermore, slightly differently doped samples provide indications for the expected spectral shift of the resonance. According to our calculations, the wavelength range to be exploited by n-GaAs based superlenses reaches far into the terahertz region, whereas other semiconductor materials are required to explore the near infrared.

We present an experimental setup strategy for the realization of an optical free-electron laser (OFEL) in the Traveling-Wave Thomson-Scattering geometry (TWTS). In TWTS, the electric fi eld of petawatt class, pulse-front tilted laser pulses is used to provide an optical undulator fi eld. This is passed by a relativistic electron bunch so that electron direction of motion and laser propagation direction enclose an interaction angle. The combination of side scattering and pulse-front tilt provides continuous overlap of electrons and laser pulse over meter scale distances which are achieved with centimeter wide laser pulses.
An experimental challenge lies in shaping of these wide laser pulses in terms of laser dispersion compensation along the electron trajectory and focusing. In the talk we show how diff raction gratings in combination with mirrors are used to introduce and control dispersion of the laser in order to provide a plane wave laser fi eld along the electron trajectory. Furthermore we give tolerance limits on alignment errors to operate the OFEL. Example setups illustrate functioning and demonstrate feasibility of the scheme.

We present an experimental setup strategy for the realization of an optical free-electron laser (OFEL) in the Traveling-Wave Thomson-Scattering geometry (TWTS). In TWTS, the electric field of petawatt class, pulse-front tilted laser pulses is used to provide an optical undulator field. This is passed by a relativistic electron bunch so that electron direction of motion and laser propagation direction enclose an interaction angle. The combination of side scattering and pulse-front tilt provides continuous overlap of electrons and laser pulse over meter scale distances which are achieved with centimeter wide laser pulses. An experimental challenge lies in shaping of these wide laser pulses in terms of laser dispersion compensation along the electron trajectory and focusing. The poster shows how diffraction gratings in combination with mirrors are used to introduce and control dispersion of the laser in order to provide a plane wave laser field along the electron trajectory. Furthermore we give limits on alignment tolerances to operate the OFEL. Example setups illustrate functioning and demonstrate feasibility of the design.

A singular Pu(IV) hexanuclear cluster [Pu6(OH)4O4]12+ stabilized by DOTA ligands has been structurally characterized for the first time both in the solid state and in water solution using X-ray diffraction, Vis-NIR and X-ray absorption spectroscopies. The cluster solubility in water and its high stability in a relatively large pH range are of the upmost importance for plutonium environmental speciation.

The cost efficient, high throughput production of metal- and semiconductor alloys is the foundation of many advanced technologies. With the development of the Ribbon Growth on Substrate (RGS) technology, a new crystallization technique is available that allows the controlled, high crystallization rate production of silicon wafers and advanced metal-silicide alloys. In contrast to other crystallization methods, like e.g. melt spinning or even directional solidification, the RGS process allows high volume manufacturing, better crystallization control and a high material yield due to a substrate driven process. To optimize the application of RGS further, insights from modelling the liquid metal flow are very desirable. We have already conducted extensive numerical investigations in order to study the involved AC magnetic fields. For the RGS technology, these magnetic fields play an essential role in realizing inductive heating and an additional magnetic retention effect.
New simulation results demonstrate the effect of the applied AC magnetic fields on the melt flow of liquid silicon. The focus is thereby devoted to the simulation of the melt surface deformation based on a multi-physical modelling approach in OpenFOAM (foam-extend). Our developed numerical tool allows us to model hydrodynamic and magnetodynamic effects and their interaction. Studies of the time-dependent free-surface flow under the influence of magnetic forces are the key for improving the RGS process as main flow structures and possible instabilities strongly depend on the melt shape.

To improve the precision and reduce the margins for particle therapy, in-vivo range verification is desirable. In this study, a range verification based on prompt gamma imaging (PGI) was applied to patients and compared with in-room CT data.

After a first clinical application of a prompt gamma knife-edge slit-camera in double scattering (DS) mode, systematic measurements and quantitative analysis of patient data have been started. To investigate the detection sensitivity of the slit camera for range deviations in DS compared to pencil beam scanning (PBS), phantom measurements in both treatment modes with clinically relevant treatment plans have been performed.

For the final disposal of radioactive waste in a deep geological repository, salt rock is considered as a potential host rock formation. A lot of research has been conducted regarding the physical and geochemical properties and retention suitability of this potential host rock. However, information about the indigenous microorganisms and their impact on the migration behavior of radionuclides in a worst-case scenario – the release of radionuclides – are widely missing in particular. In this work, we studied the interactions between the radionuclide uranium and the extreme halophilic archaeon Halobacterium (Hbt.) noricense. Extensive investigations were performed with an isolate originating from an Austrian salt mine, Hbt. noricense DSM-15987 [1]. Surprisingly, the obtained kinetics of the sorption experiments showed that bioassociation is not only a sorption process; i.e. fast sorption within the first hours until reaching a stable equilibrium state. The obtained kinetics showed a multistage process with a fast sorption phase during the first two hours of exposure. For the next hours an increasing amount of uranium was detectable (ICP-MS) in the supernatant, implying that the sorbed uranium was released from the cells. Subsequently, the amount of bioassociated uranium was found to increase very slowly until a maximum sorption of 80% was reached after 48 h. For more molecular information of these, hitherto unknown, bioassociation processes on archaeal cells, several spectroscopic and microscopic methods were applied. In situ Attenuated Total Reflection Fourier-transform Infrared (ATR FT-IR) spectroscopy provided evidence that uranium simultaneously binds to carboxylic and to phosphate groups within the initial sorption process of uranium to cells of Hbt. noricense DSM-15987. Despite of the high chloride concentration (3 M) required for the experiments and of the resulting quenching effect of chloride on uranium luminescence, we were able to detect weak signals by Laser-induced Fluorescence spectroscopy. The obtained results support the bioassociation kinetics where a higher amount of sorbed uranium was found after 2 hours of exposure time than after 5 hours. From parallel factor analysis, a preference for uranium to carboxylic groups could be verified. Furthermore, the impact of uranium on archaeal cells over time was monitored microscopically, and the viability was proven using the LIVE/DEAD® Bac LightTM Bacterial Viability Kit from Molecular probes. Moreover, it was shown that with increasing uranium concentration the cells tend to form biofilm-like agglomerates. We assume that this effect might reflect a stress reaction to protect the cells from environmental challenges like the presence of uranium. The heavy metal ions could be localized on the cell surface of the halophilic archaeon within the first sorption phase and later on in the biofilm-like agglomerates by scanning electron microscopy coupled with energy dispersive X-ray spectroscopy.
Due to the fact that Hbt. noricense is an archaeon commonly found in salt rock, the kinetics of uranium bioassociation was investigated as well with the Hbt. noricense WIPP strain isolated from the Waste Isolation Pilot Plant (WIPP), NM, USA. The obtained kinetic curve showed the same shape as the one from the Hbt. noricense DSM-15987 strain. Additionally, Hbt. noricense WIPP formed similar but smaller biofilm-like structures. In summary, independent of the origin of both strains, both halophilic archaea obviously interact with dissolved uranium within a unique bioassociation process. This process, including the subsequent biofilm formation, will be investigated in more detail in the near future.
[1] Gruber, C. et al. (2004) Extremophiles, Vol. 8, 431-439.

Most bacteria and all archaea possess as outermost cell envelope surface-layer (S-layer) proteins. These self-assembling proteins form nanostructured lattices with different symmetries, provide regular arranged pores with defined size and possess different kinds of regular arranged functional groups. The formation of stable and functional S-layer lattices via self-assembly on the cell surface, on different technical surfaces as well as interfaces is a dynamic and complex process. Despite the fact that S-layer proteins have been investigated for over 30 years, the full reaction cascade of self-assembly, which includes the role of different bivalent cations such as Ca2+ and Mg2+, are still not fully understood.
Furthermore, S-layers have a number of important intrinsic properties, e.g. they provide cellular wall protection, mediate selective exchange of molecules and therefore function as molecular sieves. Interestingly, S-layers from bacterial isolates recovered from heavy metal contaminated environments have outstanding metal binding properties and are highly stable. They show potential for selective binding of several metals some of them with high affinity. Therefore, three aspects of the metal-interactions with S-layer proteins must be taken into account.
First, S-layers possess different functionalities, e.g. carboxyl-, phosphoryl, hydroxyl groups, binding toxic metals and metalloids, like U and As, unspecifically and by this hinder them to enter the interior of prokaryotic cells. This interaction process is strongly driven by pH-value as the functionalities need to be deprotonated. Second, precious metals like Au and Pd are likewise bound unspecifically to functional groups, but presumably covalently making the binding irreversible unless the S-layer protein is destroyed completely.
Third, some metals are needed for native protein folding of the S-layer protein monomer, self-assembly, and the formation of highly-ordered lattices. These particular metals are bivalent cations such as Ca2+. As known from titration experiments, certain S-layer proteins bind Ca2+ specifically, thereby forming very stable complexes. There are at least two different binding sites for these bivalent cations showing different binding affinities. Important is that these binding sites not only allow selective binding of calcium, but also of chemical-equal elements including the trivalent lanthanides (Eu3+, Tb3+), possessing comparable ionic radii. This was proven by titration and laser fluorescence spectroscopic experiments.
This study shows that the intrinsic properties and physiological functions of the S-layer proteins build the base for its selective metal binding behavior and its potential for fabrication of biohybrid materials. So by combining S-layers with a layer-by-layer technique different materials can be furnished with coatings. The produced biohybrid materials can be directly used as selective metal filter material for the removal or recovery of strategic relevant metals using pH-value as regulating parameter for selective metal binding and also conceivably release.

In this chapter we discuss the benefits, peculiarities and main challenges related to nanoparticle templating in lyotropic liquid crystals. We first give a brief bird’s-eye view of the field, discussing di↵erent nanoparticles as well as di↵erent lyotropic hosts that have been explored, but then quickly focus on the dispersion of carbon nanotubes in surfactant-based lyotropic nematic phases. We discuss in some detail how the trans- fer of orientational order from liquid crystal host to nanoparticle guest can be verified and which degree of ordering can be expected, as well as the importance of choosing the right surfactant and its concentra- tion for the stability of the nanoparticle suspension. We introduce a method for dispersing nanoparticles with an absolute minimum of stabi- lizing surfactant, based on dispersion below the Kra↵t temperature, and we discuss the peculiar phenomenon of filament formation in lyotropic nematic phases with a su cient concentration of well-dispersed carbon nanotubes. Finally, we describe how the total surfactant concentration in micellar nematics can be greatly reduced by combining cat- and an- ionic surfactants, and we discuss how nanotubes can help in inducing the liquid crystal phase close to the isotropic–nematic boundary.

he cost efficient, high throughput production of metal- and semiconductor alloys is the foundation of many advanced technologies. With the development of the Ribbon Growth on Substrate (RGS) technology, a new crystallization technique is available that allows the controlled, high crystallization rate production of silicon wafers and advanced metal-silicide alloys. Compared to other crystallization methods, such as melt spinning, the RGS process allows better crystallization control, high volume manufacturing and high material yield due to the substrate driven process. In order to optimize RGS further, insights from modelling the liquid metal in the casting frame under electromagnetic fields are very desirable. We performed numerical investigations in order to study the involved AC magnetic fields, which are an essential part of the RGS process to realize a magnetic retention effect. Our simulation results demonstrate the effect of the applied AC magnetic fields on the silicon melt flow. The main focus is thereby devoted to the simulation of the melt surface deformation based on a complex modelling approach. This time-dependent free-surface flow under the influence of magnetic forces is the key for optimizing the RGS process.

To improve precision of particle therapy, in vivo range verification is highly desirable to reduce range uncertainties and thereby increase the advantage of proton therapy. Methods based on prompt gamma rays emitted during treatment seem promising but have not yet been applied clinically, although proposed 12 years ago. We report on the translational implementation as well as the worldwide first clinical application of prompt gamma imaging (PGI) based range verification. A prototype of a PGI camera was used to measure the prompt gamma depth distribution during proton treatment of a head and neck tumor. Inter-fractional variations of the prompt gamma profile were evaluated and anatomical changes were independently verified.

To improve precision of particle therapy, in vivo range verification is highly desirable. Methods based on prompt gamma rays emitted during treatment seem promising but have not yet been applied clinically. Here we report on the worldwide first clinical application of prompt gamma imaging (PGI) based range verification.

Ion implantation of metal ions, followed by annealing, can be used for the formation of buried layers of metal nanoparticles in glasses. Thus, photonic structures with nonlinear optical properties can be formed. In this study, three samples of silicaglasses were implanted with Cu+, Ag+, or Au+ ions under the same conditions (energy 330 keV and fluence 1 × 1016 ions/cm2), and compared to three identical silicaglass samples that were subsequently coimplanted with oxygen at the same depth. All the implantedglasses were annealed at 600 °C for 1 h, which leads to the formation of metal nanoparticles. The depth profiles of Cu,Ag, and Au were measured by Rutherford backscattering and by secondary ion mass spectrometry and the results are compared and discussed.

CFD-simulations for two-phase flows applying the multi-fluid approach are not yet qualified to provide reliable predictions for unknown flows. Among others, one important reason is the missing agreement within the community on closure models to be used. Considering specific phenomena or not, using different models and adjustable constants, most papers presenting a model validation end up with a good agreement with experimental data. However a case by case selection of models and constants does not help to improve the predictive capabilities of such models. For this reason the definition of baseline models considering all known phenomena that could be important is proposed. In such baseline models all parameter have to be defined, i.e., there are no tuning parameters by definition. Therefore these baseline models have to be applied to many experiments with different complexity. Shortcomings of the models and our physical understanding of the complex flow phenomena have to be identified by detailed analyses on the deviations between experimental data and simulation results. A modification of the baseline model will only be done if it bases on physical considerations and improves the overall performance of the model. This requires a huge effort, but seems to be the only way to improve the situation. In particular more complete experimental data are required. Joint activities on the development of such baseline models are desirable. The paper illustrates this strategy by a baseline model for polydisperse bubbly flows which is presently developed at HZDR.

Isolated atoms or ions, typically confined in traps, are ideal systems for studying fascinating coherent quantum effects such as photon echoes. Likewise, isolated donor impurity atoms in semiconductors like silicon show a hydrogen-like spectrum, shifted to the far infrared due to the small effective mass and high dielectric constant [1]. Excited Rydberg states are of particular interest for quantum information, because they allow one to prepare long-living microscopic polarization states.

In contrast to previous far-field spectroscopic studies which probed ensembles of many impurities, we aim here at studying individual impurity centers. To this end, low-temperature scattering-type scanning near-field optical microscopy (s-SNOM) is employed and a free-electron laser is used as a precisely tunable terahertz source [2]. Our silicon samples contain different donors (P, Bi) with different defect densities, respectively, and are pre-characterized by conventional Fourier transform infrared spectroscopy.

[1] Greenland et al., Nature 465, 1057 (2010).
[2] Döring et al., Appl. Phys. Lett. 105, 053109 (2014).

This paper describes the methods used in the Serpent 2 Monte Carlo code for producing homogenized group constants for nodal diffusion and other deterministic reactor simulator calculations. The methodology covers few-group reaction cross sections, scattering matrices, diffusion coefficients and poison cross sections homogenized in infinite and B1 leakage-corrected critical spectra, as well the calculation of assembly discontinuity factors, pin-power form factors, delayed neutron parameters and total and partial albedos. Also included is a description of an automated burnup sequence, which was recently implemented for the handling of restart calculations with branch variations. This capability enables covering the full range of local operating conditions required for the parameterization of group constants within a single run. The purpose of this paper is to bring the methodological description provided in earlier publications up to date, and provide insight into the developed methods and capabilities, including their limitations and known flaws.

Resistive switching (RS) phenomena of oxides in metal-insulatormetal structures have been widely investigated due to promising applications as a non-volatile memory and in neuromorphic circuits. In our previous works, we have demonstrated unipolar RS of YMnO₃-based structures [1]. This work investigates the non-volatile RS switching in Au/YMnO₃-/Nb:SrTiO₃-/Al structures with (p-YMnO₃-)-(n-Nb:SrTiO₃-) junctions. The YMnO₃- films are deposited by pulsed laser deposition on the (100)-SrTiO₃- doped with 0.5 wt.% of Nb substrates and exhibit bipolar RS. Observed RS behavior is assigned to the coupled electronic and ionic processes which depend on the depletion layer extension in the p-n junction. Exploitation of RS in p-n junctions offers additional functionalities of memristive devices, e.g. related to their optical properties.
[1] A. Bogusz et al., AIP Advances 4 (2014), A. Bogusz et al., Adv. Mater. Res. 1101 (2015).

Subwavelength graphene structures support localized plasmonic resonances in the terahertz and mid-infrared spectral regimes. The strong field confinement at the resonant frequency is predicted to significantly enhance the light-graphene interaction, which could enable nonlinear optics at low intensity in atomically thin, subwavelength devices. To date, the nonlinear response of graphene plasmons and their energy loss dynamics have not been experimentally studied. We measure and theoretically model the terahertz nonlinear response and energy relaxation dynamics of plasmons in graphene nanoribbons. We employ a terahertz pump − terahertz probe technique at the plasmon frequency and observe a strong saturation of plasmon absorption followed by a 10 ps relaxation time. The observed nonlinearity is enhanced by 2 orders of magnitude compared to unpatterned graphene with no plasmon resonance. We further present a thermal model for the nonlinear plasmonic absorption that supports the experimental results. The model shows that the observed strong linearity is caused by an unexpected red shift of plasmon resonance together with a broadening and weakening of the resonance caused by the transient increase in electron temperature. The model further predicts that even greater resonant enhancement of the nonlinear response can be expected in high-mobility graphene, suggesting that nonlinear graphene plasmonic devices could be promising candidates for nonlinear optical processing.

Utilizing the anisotropy of the optical excitation in graphene, we reveal the twofold nature of Coulomb scattering in graphene. The initial non-equilibrium charge carrier distribution in graphene created by linearly polarized light possesses a pronounced anisotropy, which has been observed in our recent experiment [1]. In the present study we perform polarization-dependent pump-probe measurements using a photon energy of 88meV to suppress efficiently the optical phonon scattering as the photon energy is below the optical phonon energy (~200meV). In this case the relaxation dynamics leading to an isotropic distribution is dominated by noncollinear Coulomb scattering. By varying the pump fluence over a range of several orders of magnitudes we are able to successfully control the efficiency of this process (see Fig. 1). This reveals a surprising twofold nature of Coulomb scattering in graphene: Whereas collinear Coulomb scattering is known to be a very fast process on the fs timescale, noncollinear scattering is remarkably slow, resulting in a thermalization time of several ps in our experiment. Our experimental findings are complemented by the results of microscopic modelling in which the carrier injection and relaxation dynamics is calculated by solving graphene Bloch equations including orientational phase and energy relaxation in Born-Markov approximation.

References
[1] M. Mittendorff et al., Nano Lett. 14, 1504 (2014).

The Coulomb scattering dynamics in graphene in energetic proximity to the Dirac point is investigated by polarization resolved pump-probe spectroscopy and microscopic theory. Collinear Coulomb scattering rapidly thermalizes the carrier distribution in k-directions pointing radially away from the Dirac point. Our study reveals, however, that in almost intrinsic graphene full thermalization in all directions relying on noncollinear scattering is much slower. For low photon energies, carrier-optical-phonon processes are strongly suppressed and Coulomb mediated noncollinear scattering is remarkably slow, namely on a ps timescale. This effect is very promising for infrared and THz devices based on hot carrier effects.

By using broadband absorber materials, bolometric detectors can typically cover an extremely large spectral range. However, since their response relies on the lattice temperature of the employed material, they exhibit slow response times. Hot electron bolometers (HEBs), on the other hand, can be extremely fast, because they exploit a change in device resistance caused by a varying electron temperature. A major drawback of HEBs based on superconductors is the required cooling to very low temperatures. We have developed a detector for room temperature operation, where the broadband absorption of the gapless material graphene is utilized. To this end, a graphene flake grown by chemical vapor deposition (CVD) is transferred to a SiC substrate and coupled to a logarithmic periodic antenna. Fast detection with a rise time of 40 ps is demonstrated for frequencies ranging from 0.6 THz to 390 THz [1]. Interestingly, the detector properties do not deteriorate for wavelength within the Reststrahlen band of SiC (25 – 50 THz). With a noise-equivalent power of 20 µW/Hz½ (800 µW/Hz½) in the near infrared (mid- and far infrared) the detector is capable of recording pulses with energies of the order of 10 pJ (1 nJ). We show that the detector is a versatile device for timing measurements in multi-color ultrafast spectroscopy studies.

We present a fast detector (rise time 40 ps) operating at room temperature that is capable to detect radiation from the THz to visible spectral range (demonstrated wavelengths 500 µm – 780 nm) [1]. The detector consists of a CVD-grown graphene flake contacted by a broadband logarithmic periodic antenna. SiC acts as a substrate material that does not interfere with the detection mechanism in the desired frequency range, even within the Reststrahlen band of SiC (6 – 12 µm). The detector is ideal for timing purposes. Near infrared (mid- and far infrared) pulse energies of the order of 10 pJ (1 nJ) are sufficient to obtain good signal-to-noise ratios. We suggest that the bandwidth is limited by the antenna dimensions (typically several mm) on the long wavelength side and by the bandgap of SiC (380 nm) on the short wavelength side.
[1] M. Mittendorff et al., Opt. Express 23, 28728 (2015).

Utilizing the anisotropy of the optical excitation in graphene, we reveal the twofold nature of Coulomb scattering in graphene. The initial nonequilibrium charge carrier distribution in graphene created by linearly polarized light possesses a pronounced anisotropy, which has been observed in our recent experiment [1]. In the present study we perform polarization-dependent pump-probe measurements using a photon energy of 88 meV to suppress efficiently the optical phonon scattering. In this case the relaxation dynamics leading to an isotropic distribution is dominated by noncollinear Coulomb scattering. By varying the pump fluence over a range of several orders of magnitudes we are able to successfully control the efficiency of this process. This reveals a surprising twofold nature of Coulomb scattering in graphene: Whereas collinear Coulomb scattering is known to be a very fast process on the fs timescale, noncollinear scattering is remarkably slow, resulting in a thermalization time of several ps in our experiment. Our experimental findings are complemented by the results of microscopic modelling.
[1] M. Mittendorff et al., Nano Lett. 14, 1504 (2014).

After a brief overview on the ultrafast carrier dynamics in graphene we focus on two Coulomb-mediated effects. The first one is related to the very different scattering times for collinear versus non-collinear scattering. Collinear Coulomb scattering, due to many possibilities to fulfill energy and momentum conservation requirements, is extremely fast (sub-100 fs timescale). Non-collinear scattering, on the other hand, can be surprisingly slow, namely on the scale of a few ps. This observation is in contrast to the common belief that a non-equilibrium carrier distribution in graphene fully thermalizes on a sub-100 fs timescale. We show that polarization resolved pump-probe experiments at low photon energies, i.e. below the optical phonon energy of ~200 meV, allow one to trace the non-collinear Coulomb scattering and to control its efficiency by varying the pump fluence. The second surprising Coulomb effect is the direct observation of strong Auger scattering in Landau quantized graphene. The Auger scattering in this case can efficiently deplete an energy level while that level is optically pumped at the same time. Finally the potential of graphene for photonic and fast optoelectronic devices such as THz sources and detectors will be discussed.

Contemporary particle injector technologies provide different advantages depending on the chosen design. In the case of copper rf injectors these is primarily the high accelerating field, enabling the generation of high charge bunches with very low emittance. However, the cost of that is a comparably low repetition rate. DC guns, on the other hand, can provide higher repetition rates and consequently increased beam currents at lower beam quality, i.e., increased emittance. The concept of a superconducting rf injector offers the opportunity to combine the advantages of both these concepts. However, it demands special concepts for emittance compensation, as the common approach with overlapping magnetic fields during the rf acceleration interferes with the limitations of superconductivity. The ELBE SRF Gun project is one of the most advanced in this field. Gun II, the second SRF injector at the Electron Linear accelerator with high Brilliance and low Emittance (ELBE), introduces new features for emittance compensation which were studied in detail over the last years. One of these methods is the integration of a superconducting solenoid into the cryostat. Another method uses rf focusing by retracting the photocathode’s tip from the last cell of the resonator. This paper discusses both of these schemes by briefly outlining their setups, discussing results of numerical simulations of their impact, and presenting results of initial experimental beam measurements with Gun II.

We investigate strip line photoconductive terahertz (THz) emitters in a regime where both the direct emission of accelerated carriers in the semiconductor and the antenna-mediated emission from the strip line play a significant role. In particular, asymmetric strip line structures are studied. The widths of the two electrodes have been varied from 2 µm to 50 µm. The THz emission efficiency is observed to increase linearly with the width of the anode, which acts here as a plasmonic antenna giving rise to enhanced THz emission. In contrast, the cathode width does not play any significant role on THz emission efficiency. This is a consequence of the emission being caused by photoexcited electrons while the effect of photoexcited holes is negligible.

Thermal processing in the subsecond range comprises modern, non-equilibrium annealing techniques which allow various material modifications at the surface without affecting the bulk. Flash lamp annealing (FLA) is one of the most diverse methods of short time annealing with applications ranging from the classical field of semiconductor doping to the treatment of polymers and flexible substrates. It still continues to extend to other material classes and applications, and becomes of interest for an increasing number of users.
In this review we present a short, but comprehensive and consistent picture about the current state of the art of FLA, sometimes also called pulsed light sintering. In the first part we take a closer look to the physical and technological background, namely to the electrical and optical specifications of flash lamps, the resulting temperature profiles and the corresponding implications on process-relevant parameters like reproducibility and homogeneity. The second part briefly considers the various applications of FLA starting with the classical task of defect minimization and ultra-shallow junction formation in Si, followed by further applications in Si technology, namely in the fields of hyperdoping, crystallization of thin amorphous films and photovoltaics. Subsequent chapters cover the topics of doping and crystallization in Ge and silicon carbide, doping of III-V semiconductors, diluted magnetic semiconductors, III-V nanocluster synthesis in Si, annealing of transparent conducting oxides and high-k materials, nanoclusters in dielectric matrices and the use of FLA for flexible substrates.

The pattern of isentropes in the vicinity of a first-order phase transition is proposed as a key for a sub-classification. While the confinement–deconfinement transition, conjectured to set in beyond a critical end point in the QCD phase diagram, is often related to an entropic transition and the apparently settled gas-liquid transition in nuclear matter is an enthalphic transition, the conceivable local isentropes w.r.t. ”incoming” or ”outgoing” serve as another useful guide for discussing possible implications, both in the presumed hydrodynamical expansion stage of heavy-ion collisions and the core-collapse of supernova explosions. Examples, such as the quark-meson model and two-phase models, are shown to distinguish concisely the different transitions.

The assistance of an intense optical laser on electron-positron pair production by the Breit-Wheeler and Schwinger processes in XFEL fields is analyzed. The impact of a laser beam on high-energy photon collisions with XFEL photons consists in a phase space redistribution of the pairs emerging in the Breit-Wheeler sub-process. We provide numerical examples of the differential cross section for parameters related to the European XFEL. Analogously, the Schwinger type pair production in pulsed fields with oscillating components referring to a superposition of optical laser and XFEL frequencies is evaluated. The residual phase space distribution of created pairs is sensitive to the pulse shape and may differ signifcantly from transiently achieved mode occupations.

Partonic matter produced at the early stage of ultrarelativistic nucleus-nucleus collisions is assumed to be composed mainly of gluons, but quarks and antiquarks are produced at later times.
The dynamical evolution of this chemically nonequilibrium system is described by the ideal (2+1)–dimensional hydrodynamics with a time dependent (anti)quark fugacity. The equation of state is taken as a linear interpolation of the lattice data for the pure gluonic matter and the chemically equilibrated quark-gluon plasma. The spectra and elliptic flows of thermal dileptons and photons are calculated for central Pb+Pb collisions at the LHC energy. The results are obtained assuming different equilibration times, including the case when the complete chemical equilibrium of partons is reached already at the initial stage. It is shown that a suppression of quarks at early times leads to a significant reduction of the invariant mass spectra of dileptons, but a rather modest suppression of the pT -distributions of direct photons. It is demonstrated that a noticeable enhancements of photon and dilepton elliptic flows might be a good signature of the pure glue initial state.

We study the process of laser-assisted Compton scattering: The Compton scattering of x-rays from an XFEL off electrons that are driven by a relativistically intense short optical laser pulse. The frequency spectrum of the laser-assisted Compton radiation shows a broad plateau in the vicinity of the laser-free Compton line due to a nonlinear mixing between x-ray and laser photons [1]. We observe sharp peak structures in the plateau region. These structures are interpreted as spectral caustics by using a semiclassical analysis of the laser-assisted QED matrix element, relating the caustic peak positions to the laser-driven electron motion [2].

Chromium oxide (CrO_x) thin films were grown by pulsed-DC reactive magnetron sputter deposition in an Ar/O₂ discharge as a function of the O₂ fraction in the gas mixture (f) and for substrate temperatures, T_s, up to 450 ºC. The samples were analysed by Rutherford backscattering spectrometry (RBS), spectroscopic ellipsometry (SE), atomic force microscopy (AFM), scanning (SEM) and transmission (TEM) electron microscopy, X-ray diffraction (XRD), and X-ray absorption near-edge structure (XANES). On unheated substrates, by increasing f the growth rate is higher and the O/Cr ratio (x) rises from ~2 up to ~2.5. Inversely, by increasing T_s the atomic incorporation rate drops and x falls to ~1.8 . XRD shows that samples grown on unheated substrates are amorphous and that nanocrystalline Cr₂O₃ (x = 1.5) is formed by increasing T_s. In amorphous CrO_x , XANES reveals the presence of multiple Cr environments that indicate the growth of mixed-valence oxides, with progressive promotion of hexavalent states with f. XANES data also confirms the formation of single-phase nanocrystalline Cr₂O₃ at elevated T_s. These structural changes also reflect on the optical and morphological properties of the films.

The transport of colloidal particles at the fluidic interface of a binary fluid is of significant importance to the flotation process. Flotation is a separation process in which hydrophobic particles attach to the surface of rising air bubbles while the undesired hydrophilic particles settle down the bottom of the cell to eventually be discharged. Current numerical models developed for the simulation of the particle attachment process are still at an early stage of development. The fine attaching particles have so far been modelled as point particles, thereby neglecting the deformation of the fluidic interface. Here the combination of the smooth profile method with an in-house binary fluid model is suggested to directly simulate the attachment of a single particle to an immersed bubble under various capillary numbers.

Purpose: At the OncoRay center in Dresden at proton therapy facility is in operation. The first patient was treated in December 2014. The system is driven by an IBA (IBA Proton Therapy, Louvain-la-Neuve, Belgium) Cyclone 230 isochronous cyclotron with a maximum proton energy of 230 MeV. Patients are treated in one room equipped with a 360° rotating gantry. Besides patient treatment a strong focus is on research. A dedicated experimental room is part of the facility. In the current state of expansion this room is equipped with a fixed beam line. Beam energies between 70 and 230 MeV and currents up to about 120 nA at 230 MeV can be provided.
Materials and Methods: An in house developed control system (figure 1) allows for a parallel operation of the treatment and the experimental beamline. Absolute priority for the treatment room is ensured by the control software.
The beam current is controlled by a dedicated hardware directly. Continuous wave beams as well as pulsed beams with repetition rates up to 333 Hz with variable duty cycles are available. The beam is monitored by means of a segmented ionization chamber. The beam can be activated manually, for a defined time or until a certain charge has been reached at the beam exit. A direct continuance after a beam switch to the treatment room is possible.
Results: The proton therapy system itself is operated by an IBA team, that ensures excellent beam stability and availability. Since only one treatment room is present, experiments can be performed conveniently during the day shifts. Requests from the treatment room cause interruptions of 1-2 min duration in intervals of about 20 min.
Conclusions: In summary, the OncoRay center is equipped with an experimental beamline that combines the reliability and beam quality of a commercial clinical proton therapy system with the flexibility of an in house developed control system whose design parameters are governed by the needs of physical and translational research.

The flow structure and lift response of a separated flow over an airfoil that is subjected to an impulsive type of pitching motion is compared to the response produced by a localized pulse disturbance at the leading edge of an airfoil. Time-resolved PIV data is used to obtain the velocity field on the suction surface of the airfoil. POD analysis shows that the majority of energy is contained within the first four modes. Strong similarities in the shapes of the POD basis functions are found, irrespective of the type of actuation (global or local). The time-varying coefficient of the second POD mode tracks the negative of the lift coefficient in each case. Basis functions from the localized actuation data were projected on the velocity field of the globally actuated flow to obtain a hybrid set of coefficients. The hybrid coefficients matched reasonably well with the coefficients obtained from the original POD analysis for the globally excited flow. Both types of actuation were found to generate very similar Lagrangian flow structures. The results suggest a certain degree of universality in the POD modes/flow structures for the separated flow over an airfoil, irrespective of the type of excitation.

The increasing deployment of highly fluctuating renewable energy sources, as e.g. wind and solar power plants, demands for stationary energy storage. Pumped storage hydro power, which is the only technology widely used today, can not be applied in all places; new technologies are therefore required. A promising alternative is the liquid metal battery (LMB). Easy scale-up, low priced raw materials, a simple set-up, long life-time and extremely high current densities make it a promising candidate for grid-scale energy storage. Liquid metal batteries are built as a stable density stratification of two liquid metals, separated by a likewise liquid salt. During discharge, the upper metal will lose electrons; the ion will diffuse through the electrolyte layer and alloy there with the cathode metal. In order to build such batteries cheap, they have to be large; however, this implies currents in the order of kilo-amperes. The battery current and its interaction with magnetic fields may be the source of different instabilities, leading to a fluid flow in the liquid metal battery. Stirring the cathode may be advantageous by mixing or removing reaction products from the salt-cathode interface. However, very strong fluid flow may even wipe away the electrolyte layer and lead to a short-cirucit. This must be avoided.

We present a numerical model implemented in OpenFOAM, coupling the Navier-Stokes equation with Maxwell’s equations. The electric potential is determined by solving a Poisson equation; the current by Ohm’s law and the
magnetic field by Biot-Savart’s law. This model is used to simulate the Tayler instability in the batterie’s anode. A multi-region model, similar to chtMultiRegionFoam, is used to model electro-vortex flow. Finally, a multiphase model, based on multiphaseInterFoam, allows to simulate deformation of the electrolyte layer as well as metal pad rolling, known from aluminium reduction cells.

Lanthanides (Ln) and actinides (An) could potentially be chemo- and radiotoxic when they are incorporated into the food chain after accidental releases to the environment. This spectroscopic study focuses on the interaction of Ln(III) and An(III) with mucin, one of the essential components of human mucosa, for better understanding of their behaviour in human gastrointestinal tract in case of oral ingestion. The first spectroscopic screening with TRLFS (Time-Resolved Laser-Induced Fluorescence Spectroscopy) revealed mucin as a fundamental binding partner of Eu(III) as well as of Cm(III) in the human gastrointestinal tract. Mucin is an important glycoprotein of the mucosa, working as an important protective barrier on the digestive system and functions. Mucin can interact with metal ions via a variety of their saccharides. This contribution is dedicated to the identification of dominant binding groups of Mucin with Ln(III) and An(III) by spectroscopy (TRLFS, IR, NMR) and thermodynamic calculations

Self-assembling biomolecules provide attractive templates for the preparation of metallic nanostructures. However, the intuitive transfer of the “outer shape” of the assembled macromolecules to the final metallic particle depends on the intermolecular forces among the biomolecules which compete with interactions between template molecules and the metal during metallization. The shape of the bio-template may thus be more dynamic than generally assumed. Here, we have studied the metallization of phospholipid nanodiscs which are discoidal particles of ~ 10 nm diameter containing a lipid bilayer ~ 5 nm thick. Using negatively charged lipids, electrostatic adsorption of amine-coated Au nanoparticles was achieved and followed by electroless gold deposition. Whereas Au nanoparticle adsorption preserves the shape of the bio-template, metallization proceeds via invasion of Au into the hydrophobic core of the nanodisc. Thereby, the lipidic phase induces a lateral growth that increases the diameter but not the original thickness of the template. Infrared spectroscopy reveals lipid expansion and suggests the existence of internal gaps in the metallized nanodiscs, which is confirmed by surface-enhanced Raman scattering from the encapsulated lipids. Interference of metallic growth with non-covalent interactions can thus become itself a shape-determining factor in the metallization of particularly soft and structurally anisotropic biomaterials.

Radiation therapy (RT) evolved to be a primary treatment modality for cancer patients. Unfortunately, the cure or relief of symptoms is still accompanied by radiation-induced side effects with severe acute and late pathophysiological consequences. Inhibitors of cyclooxygenase-2 (COX-2) are potentially useful in this regard because radioprotection of normal tissue and/or radiosensitizing effects on tumor tissue have been described for several compounds of this structurally diverse class. This review aims to substantiate the hypothesis that antioxidant COX-2 inhibitors are promising radioprotectants because of intercepting radiation-induced oxidative stress and inflammation in normal tissue, especially the vascular system. For this, literature reporting on COX inhibitors exerting radioprotective and/or radiosensitizing action as well as on antioxidant COX inhibitors will be reviewed comprehensively with the aim to find cross-points of both and, by that, stimulate further research in the field of radioprotective agents.

In the two-fluid transport model, the coupling of mass, momentum and energy transfer between phases is highly dependent on interfacial area transfer terms. Several research efforts in the past have been focused on the development of an interfacial area transport equation model (IATE), in order to eliminate the drawbacks of static flow regime maps currently used in best-estimate thermal-hydraulic system codes. The IATE attempts to model the dynamics that are involved in two phase flows by accounting for the different interaction mechanisms affecting bubble transport in the flow.
In general, current IATE models perform poorly in high void fraction flow regimes. As both models depend on closure relations that require empirically determined coefficients, a genetic algorithm is implemented to study their optimization. The preliminary study indicates that improvements are achievable by application of the genetic algorithm.
Optimization of coefficients for an entire set of high-resolution wire mesh sensor (WMS) data provided a single set of optimal coefficients. The application of WMS-optimized coefficients to external tests improved IATE performance for similar hydraulic diameters and provided a neutral change in performance for significantly smaller/larger hydraulic diameters. This is a crucial outcome as an optimized set of coefficients that provide significant improvement for a subset of experimental data – is shown to benefit performance in external data for which the coefficients are not specifically optimized.

In the two-fluid transport model, the coupling of mass, momentum and energy transfer between phases is highly dependent on interfacial area transfer terms. Several research efforts in the past have been focused on the evelopment of an interfacial area transport equation model (IATE), in order to eliminate the drawbacks of static flow regime maps currently used in best-estimate thermal-hydraulic system codes. The IATE attempts to model the dynamics that are involved in two phase flows by accounting for the different interaction mechanisms affecting bubble transport in the flow.
The further development and validation of IATE models has been hindered by the lack of adequate experimental data in regions beyond the bubbly flow regime. At the Helmholtz-Zentrum Dresden Rossendorf (HZDR) experiments utilizing wire mesh sensors have been performed over all flow regimes, establishing a database of high-resolution (in space and time) data. Two sets of data from small and large diameter pipes fitted with wire mesh sensors are utilized in this work. Analysis of flow conditions in the bubbly, churn turbulent and annular flow regimes is presented.
The performance of the Fu-Ishii two-group model is evaluated against small diameter database. Results indicate good performance (< 10% error) for small group 1 bubbles, and poor performance for large group 2 bubbles. The Smith two-group large diameter IATE model is evaluated for the large diameter database. In low void-fraction regimes, the Smith model performs well. In high void-fraction regimes, there is poor group-wise interfacial area prediction – however the total interfacial area is erroneously predicted well as group-wise errors compensate each other. Overall, the study suggests that further efforts and re-evaluation of closure terms are needed in order to extend the range of validity of the IATE models.

Diese Arbeit behandelt numerisch die Fluiddynamik in Flüssigmetallbatterien. Insbesonders die Tayler-Instabilität und Elektrowirbelströmungen werden ausführlich betrachtet. Die Motivation der Untersuchungen besteht zum einen in einer Steigerung von Leistung und Sicherheit und zum anderen in der Senkung von Produktions- und Betriebskosten von Flüssigmetallbatterien.
Es wird ein Lösungsverfahren für zeitabhängige magnetohydrodynamische Strömungen entwickelt und in OpenFOAM implementiert. Die Basisversion des Lösers erlaubt die Analyse einer flüssige Elektrode. Eine Erweiterung dient der Untersuchung des Einflusses von Stromsammler und Zuleitung der Batterie. Simulationen werden vorwiegend für zylindrische, aber auch für quaderförmige Elektrodengeometrien durchgeführt.
Der Hauptteil der Arbeit widmet sich der stromgetriebenen Tayler-Instabilität, die in großen Batterien bei Strömen von einigen Kiloampere auftritt und dort zu einer Strömung in Form von Konvektionszellen führt. Das Auftreten, Wachstum und die Geschwindigkeiten dieser Instabilität werden analysiert und deren Bedeutung für die Batterie diskutiert. Zur Dämpfung bzw. Unterdrückung der Strömung werden eine Reihe von Gegenmaßnahmen vorgestellt und deren praktischer Nutzen bewertet. Der zweite, kürzere Teil der Arbeit befasst sich mit Elektrowirbelströmungen, deren Charakterisierung und ihren Wechselwirkungen mit der Tayler-Instabilität. Die besondere Bedeutung von Elektrowirbelströmungen für die Integrität der Elektrolytschicht sowie ihre Anwendbarkeit für die Verbesserung des Stofftransports in Flüssigmetallbatterien werden hervorgehoben.

Understanding the assembly of nanoparticles into superlattices with well-defined morphology and structure is technologically important but challenging as it requires novel combinations of in-situ methods with suitable spatial and temporal resolution. In this study, we have followed evaporationinduced assembly during drop casting of superparamagnetic, oleate-capped γ-Fe2O3 nanospheres dispersed in toluene in real time with Grazing Incidence Small Angle X-ray Scattering (GISAXS) in combination with droplet height measurements and direct observation of the dispersion. The scattering data was evaluated with a novel method that yielded time-dependent information of the relative ratio of ordered (coherent) and disordered particles (incoherent scattering intensities), superlattice tilt angles, lattice constants, and lattice constant distributions. We find that the onset of superlattice growth in the drying drop is associated with the movement of a drying front across the surface of the droplet. We couple the rapid formation of large, highly ordered superlattices to the capillary-induced fluid flow. Further evaporation of interstitital solvent results in a slow contraction of the superlattice.
The distribution of lattice parameters and tilt angles was significantly larger for superlattices prepared by fast evaporation compared to slow evaporation of the solvent.

In the present work, low energy Ga+ ion beam implantation was used for the structural and optical properties modification of tetrahedral amorphous carbon (ta-C) thin films, using gallium (Ga+) as the ion species. Thin film samples (d~40nm) of ta-C, deposited by filtered cathodic vacuum arc (FCVA), have been implanted with Ga+ at ion energy E = 20 keV and ion doses D=3.1014÷3.1015 cm-2. The Ga+ ion beam induced structural modification of the implanted material results in a considerable change of its optical properties, displayed in a significant shift of the optical absorption edge to lower photon energies as obtained from optical transmission measurements. This shift is accompanied by a considerable increase of the absorption coefficient (photo-darkening effect) in the measured photon energy range (0.5÷3.0 eV). These effects could be attributed both to additional defect introduction and increased graphitisation, as well as to accompanying formation of bonds between the implanted ions and the host atoms of the target, as confirmed by infra-red (IR) and Raman measurements. The optical contrast thus obtained (between implanted and unimplanted film material) could be made use of for information archiving, in the area of high-density optical data storage, while using focused Ga+ ion beams.

Multimodal imaging combines information from several imaging techniques in order to accurately image and diagnose various medical conditions. A well designed probe can offer imaging prospects using optical imaging, positron emission tomography using a radioactive label and magnetic resonance imaging.[1]
Silicon nanoparticles are an interesting material for biological and medical applications. These nanoparticles combine the low toxicity of silicon and the ultrasmall size (< 5 nm) achievable through wet chemistry techniques.[2] The surface termination of silicon nanocrystals can be functionalized from simple amino acid groups to photoemissive dyes, radiotracers and targeting agents, such as peptides, thus making silicon nanoparticles an interesting platform for targeted multimodal imaging.
After synthesis and purification, the crucial step towards the utilization of silicon nanoparticles as multimodal probes is the modification of the surface. An accurate quantification of the number of available functional groups is both important and a great challenge to determine.
Our research is focused on the surface modification and characterization of silicon nanocrystals and their use as imaging agent in biomedicine.

[1]. Louie A. Multimodality Imaging Probes: Design and Challenges. Chem.Rev. 2010, 110, 3146-3195. Doi:10.1021/cr9003538
[2]. Shiohara A., Lai P.-S., Northcote P, Tilley R.D. Sized controlled synthesis, purification, and cell studies with silicon quantum dots. Nanoscale. 2011, 8, 2040-3364. Doi: 10.1039/C1NR10458F

Variable energy positron annihilation spectroscopy (VEPAS) allows to measure depthdependent defect profiles. While the depth resolution is still in the nm range for low positron energies, it broadens strongly at higher penetration energies. The reason is the broad positron implantation profile often described as Makhov profile [1].
To avoid this problem and to determine real defect profiles in a depth of several µm, one can remove the surface step-by-step or continuously by sputtering the surface away, e.g. by low energy Ar ions. Of course, the advantage of VEPAS to have a non-destructing testing tool is lost. However, one gains from relatively sharp depth profile down to several µm and improved defect sensitivity in larger depth.
In the talk details of the sputtering process will be discussed and several examples of photovoltaic CIGS layers and defects after ion implantation in Si will demonstrate the power of this type of defect profiling.

Fe doped InAs layers have been prepared by ion implantation and pulsed laser annealing. Fe ions exist in the +3 valence state when located in Indium sites, which indicates that Fe atoms do not introduce free carriers in the InAs layer and only act as the local spins. However, (In, Fe)As or (In, Fe)As codoped with Se (provide free electrons) exhibits typically superparamagnetic behavior, which is proven by both static and dynamic magnetic measurements. This is most probably due to the formation of Fe-rich nanoregions in the InAs matrix, similarly to the case of Cr-doped ZnTe [1]. However, the co-doping by Zn (which introduces free holes) increases both the saturation magnetization and the Curie temperature. A systematic comparison between (In, Fe)As, (In, Fe)As:Zn and (In, Fe)As:Se leads to the re-affirmation of the pd-exchange as the key gradient in dilute ferromagnetic semiconductors [2].

[1]. K. Kanazawa et al., Nanoscale, 6, 14667-14673 (2014)
[2]. T. Dietl et al., Science, 287, 1019-1022 (2000)

Thallium (Tl) is a non-essential element in humans, and it is considered to be highly toxic. In this study, the contents, sources, and dispersal of Tl were investigated in surface sediments from a riverine system (the western Pearl River Basin, China), whose catchment has been contaminated by mining and roasting of Tl-bearing pyrite ores. The isotopic composition of Pb and total contents of Tl and other relevant metals (Pb, Zn, Cd, Co, and Ni) were measured in the pyrite ores, mining and roasting wastes, and the river sediments. Widespread contamination of Tl was observed in the sediments across the river, with the highest concentration of Tl (17.3 mg/kg) measured 4 km downstream from the pyrite industrial site. Application of a modified Institute for Reference Materials and Measurement (IRMM) sequential extraction scheme in representative sediments unveiled that 60 - 90% of Tl and Pb were present in the residual fraction of the sediments. The sediments contained generally lower ²⁰⁶Pb/²⁰⁷Pb and higher ²⁰⁸Pb/²⁰⁶Pb ratios compared with the natural Pb isotope signature (1.2008 and 2.0766 for ²⁰⁶Pb/²⁰⁷Pb and ²⁰⁸Pb/²⁰⁶Pb, respectively). These results suggested that a significant fraction of non-indigenous Pb could be attributed to the mining and roasting activities of pyrite ores, with low ²⁰⁶Pb/²⁰⁷Pb (1.1539) and high ²⁰⁸Pb/²⁰⁶Pb (2.1263). Results also showed that approximately 6 - 88% of Tl contamination in the sediments originated from the pyrite mining and roasting activities. This study highlights that Pb isotopic compositions could be used for quantitatively fingerprinting the sources of Tl contamination in sediments.

A widely used approach to model two-phase bubbly flows for industrial applications is the Eulerian two-fluid framework of interpenetrating continua. The loss of small-scale physics caused by the averaging procedure has to be compensated by introduction of closure relations. These concern the momentum exchange between the phases, the effect of the bubbles on the liquid turbulence and bubble breakup and coalescence. The quest for models with a broad range of applicability allowing predictive simulations is an ongoing venture. A set of best available submodels was assembled and validated against different bubbly flow situations (Rzehak and Krepper 2013, 2015). The present contribution deals with two phase downward pipe flow. Experiments were performed at HZDR using an ultrafast X-ray tomographic measurement technique. Gas fraction distribution, gas velocities, and bubble size distributions were measured at different distances from the gas injection. Deduced from the experimental data, in some tests the complexity of the closure problem could be reduced imposing a fixed bubble size distribution. Considering the effect of bubble sizes on the closure relations the agreement of the simulations with the measurements could be improved remarkably.

Acid Cu leaching from the European Kupferschiefer ore deposits is a challenge e.g. due to its high carbonate content. In this study, we investigated the transport behaviour of Cu under conditions related to a biohydrometallurgical leaching approach using neutrophil microorganisms in neutral to slightly alkaline solutions. We studied the effect of the microbial siderophore desferrioxamineB (DFOB) as a model leaching organic ligand on Cu mobility in column experiments with kaolinite. The results revealed that DFOB strongly enhances Cu mobility. The breakthrough of Cu occurs considerably earlier in the presence of DFOB than in the absence of the organic ligand. Furthermore, complete elution of Cu was observed at 5 pore volume exchanges faster compared to elution with deionized water. The established geochemical transport model shows good agreement with the experimental data and suggests a maximum efficiency at a Cu to DFOB molar ratio of 1:1. In addition, results of modelling revealed that in the absence of the ligand, a pH increase from 6.5 to 8.5 significantly retarded Cu breakthrough, whereas in the presence of DFOB, Cu breakthrough curves were nearly insensitive to pH changes and close to the breakthrough curve of a non-reactive tracer.

In this chapter the present capabilities of CFD-modelling for wall boiling in industrial applications are described. The basis is the Eulerian two-fluid framework of interpenetrating continua. From the first attempts heat flux partitioning algorithms were used to describe boiling at a heated wall. Based on a mechanistic model representation of the microscopic processes the framework is described by empirical correlations. The developments of the main correlations for the bubble size at detachment and for the nucleation site density are described. Different approaches for the bubble size in the bulk are presented. Further the extension of the conventional heat partitioning model towards the high heat flux will be also stated. Finally an outlook on further model improvement is given.

A precise control over the meso- and microstructure of ordered and aligned nanoparticle assemblies, i.e., mesocrystals, is essential in the quest of exploiting collective material properties for potential applications. In this work, we produce evaporation-induced self-assembled mesocrystals with different mesostructures and crystal habits based on iron oxide nanocubes by varying the nanocube size and shape, and by applying magnetic fields. A full 3D characterization of the mesocrystals was performed using image analysis, high-resolution scanning electron microscopy and Grazing Incidence Small Angle X-ray Scattering (GISAXS). This enables structural determination of e.g. multi-domain mesocrystals with complex crystal habits, and the quantification of interparticle distances with sub-nm precision. We find a lower size limit for crystallization in the absence of a magnetic field. Mesocrystals of small nanocubes (l = 8.6 – 12.6 nm) are isostructural with a body centered tetragonal (bct) lattice whereas mesocrystals assembly of the largest nanocubes in this study (l = 13.6 nm) additionally form a simple cubic (sc) lattice. The mesocrystal habit can be tuned from a square, hexagonal to star-like and pillar shapes depending on the particle size, shape, and the applied magnetic field strength. Finally, we outline a qualitative phase diagram of the evaporation-induced self-assembled superparamagnetic iron oxide nanocube mesocrystals based on nanocube edge length and magnetic field strength.

Magnetic nanoparticles and their assembly into highly correlated structures are of great interest for future applications as e.g. spin-based data storage. These systems are not only distinguished by the obvious miniaturization but by the novel physical properties emerging due to their limited size and ordered arrangement. These superstructures are formed from nanometer-sized building blocks - ordered like atoms in a crystal - which renders them a new class of materials.

Fundamental investigation of magnetic nanostructures represents an important step towards the control and understanding of these systems. Recently, single micrometer-sized 3-dimensional nanoparticle assemblies (so called mesocrystal) became available, exhibiting a high degree of structural order close to that of an atomic crystal. This system provides a good basis for the magnetic investigation of static and dynamic processes inside and of the nanoparticle superstructure.

Microresonators, provide a straightforward method for the investigation of static and dynamic magnetic properties of nm and micrometer sized objects using ferromagnetic resonance (FMR) [1,2]. Due to the much higher filling factor as compared to conventional microwave cavities, they offer several orders of magnitude increased sensitivity. A focused ion beam (FIB) approach is used to isolate an individual 3D mesocrystal from an ensemble [3] and to transfer it into a microresonator loop. The FMR study reveals the dynamic magnetic properties and magnetic anisotropy of the single mesocrystal - an object composed of highly ordered nanoparticles.

The economic damage of environmental pollution is remarkable, thus protecting the environment has become a pressing issue during the last decades. Consequently, for companies there is an obvious need to consider environmental issues in product development and to understand why consumers adopt ecological innovations. The success of eco-innovations, however, depends on the individual adoption decision of the consumer. Hence, the question arises, why do consumers adopt ecological innovations? By integrating two areas of consumer characteristics, namely environmental consciousness and consumer innovativeness with a special focus of young consumers as the next generation of eco-innovators, the present study provides an answer to this question. Furthermore, we focus on the promising market segment of young consumers as potential agents of change. In total 446 young consumers were surveyed. The results provide insights on what drives eco-innovativeness and thus, how to market new eco-logical products. Structural equation modeling led to the result that joyful consumption is an important antecedent of domain-specific eco-innovativeness. Additionally, a biospheric value orientation leads to higher eco-innovativeness, whereas altruistic values reduce ecoinnovativeness.
The results show that practitioners and product designers have to take into account not only the benefit for nature but also the hedonic component of a new product.

In a next generation dynamo experiment currently under development at 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. We will present results from non-linear hydrodynamic simulations with moderate precessional forcing dedicated to the planned experiment.
Our results have been used for flow models in kinematic dynamo simulations in order to determine whether a precession driven flow will be capable to drive a dynamo at experimental conditions and to limit the parameter space within which the occurrence of dynamo action is most promising.

In a next generation dynamo experiment currently under development at 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.

In my talk I will present results from hydrodynamic simulations of a precession driven flow in cylindrical geometry. In a second step, the velocity fields obtained from the hydrodynamic simulations have been applied to a kinematic solver for the magnetic induction equation in order to determine whether a precession driven flow will be capable to drive a dynamo at experimental conditions.

It turns out that excitation of dynamo action in a precessing cylinder at moderate precession rates is difficult and future dynamo simulations are required in more extreme parameter regimes where a more complex fluid flow is observed in water experiments which is supposed to be beneficial for dynamo action.

The independent isomeric yield ratios of 89g,mZr from the nat Zr(gamma,xn) reactions and those of 91g,mMo and 97g,m Nb from the nat Mo(g,x) reactions with the bremsstrahlung end-point energy of 45 - 70 MeV were determined by an off-line gamma-ray spectrometric technique using the 100 MeV electron linac at the Pohang Accelerator Laboratory, Korea. The isomeric yield ratios of 89g,mZr and 97g,mNb from the nat Zr(g,xn) and nat Mo(gamm,x) reactions at the bremsstrahlung end-point energy of 16 MeV were also determined by the same technique using the 20 MeV electron linac at Helmholtz-Zentrum Dresden-Rossendorf, Germany. The measured isomeric yield ratios of 89g,mZr, 91g,mMo, and 97g,mNb were compared with literature data to examine the role of the Giant Dipole Resonance (GDR). The isomeric yield ratios of the 89g,mZr, 91g,mMo, and 97g,mNb from the above reactions were also calculated by using the computer code TALYS 1.6 and compared with the experimental data to examine the validity of the theoretical model for independent isomeric yield ratio calculations.

Sorption on mineral surfaces is an important retardation process to be considered in safety assessments of both chemotoxic and radioactive waste repositories. Most often conventional conservative concepts with temporally and spatially constant distribution coefficients (Kd values) are applied in reactive transport simulations.
In this work, the reactive transport program r³t is extended towards a more realistic description of the contaminant migration by implementing pre-computed multidimensional smart Kd matrices that are able to reflect changing geochemical conditions, e.g. caused by climatic changes.
Three computer codes were coupled to form one tool: PHREEQC, UCODE and SIMLAB. This strategy has various benefits: (1) One can calculate smart Kd values for a reasonable numbers of environmental parameter combinations; (2) It is possible to perform uncertainty and sensitivity analysis based on such smart Kd matrices; (3) The approach is highly flexible with respect to chemical reactions and environmental conditions; (4) The overall methodology is much more efficient in computing time than a direct coupling of the geochemical speciation code with the transport code r3t.
The capability of this new methodology is demonstrated for the sorption of repository-relevant radionuclides on a natural sandy aquifer. This proof-of-concept is able to describe the sorption behavior in dependence of changing geochemical conditions quite well.

The European Kupferschiefer deposits constitute a challenging local resource of base metals such as copper. In order to exploit them both efficiently and environmentally benignly, biotechnological leaching approaches are investigated. Commonly used acidophilic bioleaching is limited by high carbonate content of up to 18 % resulting in an increased pH value of more than 2. Hence, alternative processes such as neutral leaching are tested. We could show that using organic acids in neutral pH range has a higher leaching impact than in acidic milieu.
The paper summarises research results on bioleaching of copper from Kupferschiefer ore in neutral to alkaline environment: Glutamic and citric acid were investigated regarding their leaching performance depending on pH, particle size and temperature. Furthermore the leaching performance of biotechnologically produced citric acid was investigated. For that purpose the yeast Yarrowia lipolytica was grown on raw glycerol, and leaching effect of the cultivation supernatant was ascertained.

Cubic fluorite-type phases have been reported in the UIVO2-Bi2O3 system for the entire compositional range, but an unusual non-linear variation of the lattice parameter with uranium substitution has been observed. In the current extensive investigation of the uranium(IV) oxide - bismuth (III) oxide system, this behaviour of the lattice parameter evolution with composition has been confirmed and its origin identified. Even under inert atmosphere at 800 oC, UIV oxidises to UV/UVI as a function of the substitution degree. Thus, using a combination of three methods (XRD, XANES and Raman) we have identified the formation of the BiUVO4 and Bi2UVIO6 compounds, within this series. Moreover, we present here the Rietveld refinement of BiUVO4 at room temperature and we report the thermal expansion of both BiUVO4 and Bi2UVIO6 compounds.

We present both the in-situ far field radiation diagnostics in the particle-in-cell code PIConGPU and the offline radiation diagnostic code ClaRa. The first was developed to close the gap between simulated plasma dynamics and radiation observed in laser plasma experiments. The second is used to quantitatively simulate radiation observed in e.g. Thomson scattering experiment. Both methods are based on the far field approximation of the Liénard-Wiechert potential. Their predictive capabilities, both qualitative and quantitative, have been tested against analytical models.

We will discuss the advantages of the in-situ approach of PIConGPU over ClaRa that allows predicting both coherent and incoherent radiation spectrally from infrared to x-rays and provides the capability to resolve the radiation polarization and determine the temporal and spatial origin of the radiation. Furthermore, we explain why the direct integration into the highly-scalable GPU framework of PIConGPU allows computing radiation spectra for thousands of frequencies, hundreds of detector positions and billions of particles efficiently.

In this talk we will demonstrate these capabilities on resent simulations of laser wakefield acceleration (LWFA), high harmonics generation during target normal sheath acceleration (TNSA) and Thomson scattering during laser electron interactions.

A brief talk starting on how to simulate laser plasma interactions for laser driven accelerators and light sources and conclude on how simulating radiation on top of the laser plasma simulation can give insights for diagnostics in experiments.

Across the periodic table the trans-influence operates, where tightly-bonded ligands selectively lengthen mutually-trans metal-ligand bonds. Conversely, in high oxidation state actinide complexes the inverse-trans-influence (ITI) operates, where normally cis strongly-donating ligands instead reside trans and actually strengthen each other. However, restricted to high valent actinyls and a few uranium(V/VI) complexes, over decades the ITI has had limited scope in an area with few unifying rules. Here, we report cerium, uranium, and thorium bis(carbene) complexes with trans C=M=C cores where characterization data consistently suggest the presence of an ITI. By applying appropriate metal-ligand-matching, this work now demonstrates the occurrence of the ITI beyond high oxidation state 5f metals extended to encompass mid-range oxidation state actinides and lanthanides. Thus, the ITI emerges as an overarching f-block principle.

We have designed and synthesized a series of cyclopentadienyl tricarbonyl rhenium complexes containing a 5,6-dimethoxyisoindoline or a 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline pharmacophore as σ2 receptor ligands. Rhenium compound 20a possessed low nanomolar σ2 receptor affinity (Ki = 2.97 nM) and moderate subtype selectivity (10-fold). Moreover, it showed high selectivity toward vesicular acetylcholine transporter (2374-fold), dopamine D2L receptor, NMDA receptor, opiate receptor, dopamine transporter, norepinephrine transporter, and serotonin transporter. Its corresponding radiotracer [99mTc]20b showed high uptake in a time- and dose-dependent manner in DU145 prostate cells and C6 glioma cells. In addition, this tracer exhibited high tumor uptake (5.92% ID/g at 240 min) and high tumor/blood and tumor/muscle ratios (21 and 16 at 240 min, respectively) as well as specific binding to σ receptors in nude mice bearing C6 glioma xenografts. Small animal SPECT/CT imaging of [99mTc]20b in the C6 glioma xenograft model demonstrated a clear visualization of the tumor at 180 min after injection.

For the past decade, renally clearable ultrasmall nanoparticles (sub-10 nm size) have attracted enormous attention for biomedical applications[1]. In this direction, ultrasmall silicon nanoparticles (Si NPs) and carbon “quantum” dots (CQDs) are gaining in importance[2, 3]. These quantum-sized particles display tunable photoluminescence, they are highly resistant against photo-bleaching, chemically stable after functionalization and biocompatible. Covalent functionalization of the surface with appropriate bifunctional chelator agents (BFCAs) for radiometals such as 99mTc, 111In, 64Cu, 68Ga enabling SPECT or PET, and simultaneously targeting vector molecules opens the avenue for the development of promising targeted dual-labelled imaging agents.
Here we report on the synthesis and characterization of Si NPs and CQDs (size < 5 nm), containing 64CuII-NOTA for PET imaging. The biodistribution data demonstrate that the 64Cu-labelled particles are rapidly excreted from the body using the renal pathway. In particular, the surface charge of Si NPs and CQDs seems to influence the biodistribution pattern.

Work financially supported by Helmholtz Virtual Institute “Nano-Tracking”, Agreement No. VH-VI-421

[1] B. H. Kim, M. J. Hackett, J. Park, T. Hyeon, Chemistry of Materials 2014, 26, 59-71

[2] Tu, C., X. Ma, A. House, S. M. Kauzlarich, A. Y. Louie, ACS Medicinal Chemistry Letters 2011, 2, 285

[3] Hong, G., S. Diao, A. L. Antaris, H. Dai, Chemical Reviews 2015, 115, 10816–10906