Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

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32179 Publications
On the stability of the boundary layer subject to a wall-parallel Lorentz force
Albrecht, T.; Grundmann, R.; Mutschke, G.; Gerbeth, G.;
The stability of a transitional boundary layer controlled by a wall-parallel, streamwise oriented Lorentz force is investigated by means of direct numerical simulation. Damping of Tollmien-Schlichting waves is observed already at weak control amplitudes.
For a particular control amplitude, similar to homogeneous suction, the initial Blasius layer evolves towards an exponential velocity profile of strongly enhanced stability. Here, intermediate velocity profiles are found to have linear stability properties superior to that of the asymptotic exponential profile. Additional 3-D simulations support the 2-D results as Lorentz force control clearly damps the coherent structures of the transitional flow.
Keywords: MHD, Control, Boundary Layer, DNS, linear stability analysis
  • Physics of Fluids 18(2006), 098103

Publ.-Id: 8459 - Permalink

CFD-simulation of thermalhydraulic benchmark V1000CT2 - analysis with advanced turbulence models
Höhne, T.;
CFD calculations have been performed for the themalhydraulic benchmark V1000CT-2
The numerical grid model was generated with the grid generator IC4C (ICEM-CFD) and the preprocessor ANSYS CFX and contains 4.7 Mio. tetrahedral elements
Different advanced turbulence models were used in the numerical simulation
The best agreement with the Kozloduy experiment at the core inlet shows the DES simulation. Strong fluctuations occur in the downcomer of the RPV.
The results show a clear sector formation of the affected loop at the downcomer, lower plenum and core inlet. The maximum local values of the relative temperature rise in the experiment amount 97.7% and in the calculation 97.3%
Keywords: PWR, VVER-1000, CFD
  • Lecture (Conference)
    V1000CT4 Workshop, 24.-29.04.2006, Pisa, Italy
  • Contribution to proceedings
    V1000CT4 Workshop, 24.-29.04.2006, Pisa, Italy

Publ.-Id: 8458 - Permalink

Elektromagnetische Strömungskontrolle mit wandparallelen Lorentzkräften in schwach leitfähigen Fluiden
Weier, T.;
Die vorliegende Arbeit widmet sich der, vorwiegend experimentellen, Untersuchung der Wirkung wandparalleler Lorentzkräfte in Strömungsrichtung auf Grenzschichtprofile und Körperumströmungen. Die Themen
- Beeinflussung der Grenzschicht an ebenen Platten mit stationären Lorentzkräften
- Kontrolle von Strömungsablösungen an Zylindern und symmetrischen Profilen mit stationären Lorentzkräften
- Beeinflussung von Zylindernachläufen und abgelösten Tragflügelumströmungen mit zeitlich periodischen Lorentzkräften
werden behandelt.
Keywords: Lorentz force, boundary layer control, separation control, active flow control
  • Open Access LogoWissenschaftlich-Technische Berichte / Forschungszentrum Rossendorf; FZR-454 2006


Publ.-Id: 8457 - Permalink

Annual Report 2005 - Institute of Radiopharmacy
Steinbach, J.; Seifert, S.; (Editors)
kein Abstract verfügbar
  • Open Access LogoWissenschaftlich-Technische Berichte / Forschungszentrum Rossendorf; FZR-449 2006


Publ.-Id: 8456 - Permalink

Investigation of FIB assisted CoSi2 nanowire growth
Bischoff, L.; Schmidt, B.; Akhmadaliev, C.; Mücklich, A.;
The ion beam synthesis process of CoSi2 by writing stoichiometric ion implantation and subsequent annealing has been studied. For this a Focused Ion Beam (FIB), equipped with a Co36Nd64 alloy liquid metal ion source, was applied. Si(1 0 0) and (1 1 1) wafers were implanted with 60 keV Co2+ ions in the dose range of 2 × 1016–2 × 1017 cm−2. The implantation parameters, like pixel dwell time, relaxation time, dose rate as well as the pixel overlapping factor were investigated. During subsequent annealing CoSi2 nanostructures with dimensions down to 10 nm have been achieved. To investigate the silicide formation more in detail the annealing process was done in situ in a transmission electron microscope (TEM) on a pre-dimpled and FIB implanted samples of a Si(1 1 1). The formation of the cobalt silicide nano-crystals was monitored by plane-view TEM imaging during a 30 min heat treatment at 600 °C in vacuum.
Keywords: Focused ion beam; Cobaltdisilicide; Ion beam synthesis; Nanowire
  • Microelectronic Engineering 83(2006)4-9, 800-803

Publ.-Id: 8455 - Permalink

Actinides in Biosystems - Complexation Studies with Relevant Bioligands
Glorius, M.; Moll, H.; Bernhard, G.;
Biosystems such as microorganisms, plants, algae’s etc. are influencing for instance the migration of actinides in the environment. It is important to include these processes in the risk assessment of potential high level nuclear waste disposal sites and other affected areas. In general, the overall interaction process of actinides with microbes can be divided into a) direct interaction path ways such as biosorption, bioaccumulation and biotransformation/bioreduction and b) indirect interaction paths such as complexation with released bioligands. The potential of microbes to mobilize actinides by means of the formed bioligands is less investigated.

Our approach is focused on the investigation of selected bioligands having relevant functionalities for a better understanding of the complex actinide interaction processes in biological systems on a molecular level. To achieve this goal a variety of spectroscopic techniques such as time-resolved laser fluorescence spectroscopy (TRLFS) and/or absorption spectroscopy in the ultraviolet-visible-near infrared (UV-vis-NIR) wavelength range will be applied depending on the nature of the actinide element and the bioligand.
This poster gives an overview about our ongoing research in this area by taking three examples: complex formation of curium(III) with adenosine 5’-triphosphate (ATP) [1], curium(III) and amino acids of different functionalities [2], and uranium interactions with molecules containing hydroxamate groups [3].
We want to use this workshop in order to try to answer the question: How can theory help to interpret our experimental results obtained by using spectroscopic methods especially in exploring the structure of the respective aqueous actinide species?

[1] H. Moll, G. Geipel, G. Bernhard, Inorg. Chim. Acta 358 (2005) 2275.
[2] H. Moll, G. Bernhard, Inorg. Chim. Acta (2006) submitted.
[3] M. Glorius, H. Moll, G. Bernhard, manuscript in preparation.

This work was funded by the BMWA under contract number 02E9985.
Keywords: actinides, biosystems, complexation, TRLFS, UV-Vis spectroscopy
  • Poster
    ThUL-Actinet School, 15.-20.05.2006, Lille, Frankreich

Publ.-Id: 8453 - Permalink

New TRLFS Laboratory at the CTU in Prague
John, J.; Filipská, H.; Cernochová, K.; Benes, P.; Geipel, G.; Kubecek, V.; Semelová, M.; Bocan, J.;
Time-resolved laser-induced fluorescence spectroscopy (TRLFS) is a unique method for direct actinide and lanthanide speciation at low concentrations that is increasingly used for the study of various chemical aspects of actinides and lanthanides in solutions, suspensions or on solid surfaces namely in the framework of environmental studies or problems related to nuclear fuel reprocessing and waste disposals. Early in this year, construction and equipment of a new TRLFS laboratory was finished at the Czech Technical University in Prague, Czech Republic, in collaboration and under the support of Institute of Radiochemistry, Forschungszentrum Rossendorf, Germany. The new set-up comprises:
− Vibrant 355 II (Opotec) tunable laser with optical parametric oscillator, basic range 410 2400 nm, pumped at 355 nm with a Brilliant Nd:YAG pulse laser with SHG 532 nm and THG-355 nm modules and an additional FHG 266 nm module. Independent outlets for 355 nm and 266 nm laser beams. A UV 3 module extends the range down to 355 nm. Variable repetition frequency up to 10 Hz with the lengths of the laser pulse 6-8 ns.
− Cuvette Holder Flash 200 with Temperature Controller TC 101 (Quantum Northwest) and the necessary optical elements for signal collection and focussing.
− MS257 (Oriel) monochromator/spectrograph with 4 gratings (150 l/mm 190 800 nm, blaze 300 nm; 300 l/mm 250-1150 nm, blaze 500 nm; 600 l/mm 280 1200 nm, blaze 500 nm; 1200 l/mm 280-1600 nm, blaze 500 nm), with micrometrically adjustable aperture and optical fibre outlet. The main parameters are: outlet focal length 257,4 mm, resolution 0,1 nm, precision ± 0,1 nm, repeatability ± 0,028 nm.
− iStar 720 (Andor) DH720i-18F-03 intensified CCD camera designed for low-light spectroscopy applications requiring fast gating. The CCD sensor has spectral range of 180-850 nm and it includes a digital delay generator built into the head - the minimum optical gate is 1.6 ns.
Results of the first measurements obtained in the new laboratory for a standard UO22+ – SO42– system will be presented. The future research plans include:
− study of uranium complexation with humic substances,
− study of actinides bonding onto solid surfaces,
− actinides and lanthanides complexation with novel extraction and/or complexing agents relevant for spent nuclear fuel reprocessing or operational decontamination, respectively.
  • Contribution to proceedings
    15th Radiochemical Conference, 23.-28.04.2006, Mariánské Lázne, Czech Republic
    Booklet of abstracts & Conference Programme, Prague: Czech Technical University in Prague, 80-01-03474-7
  • Czechoslovak Journal of Physics 56(2006), D565-D568

Publ.-Id: 8452 - Permalink

Ferromagnetic ZnFe2O4 synthesized by Fe implantation into ZnO
Zhou, S.; Potzger, K.; Reuther, H.; Mücklich, A.; Eichhorn, F.; Schell, N.; Skorupa, W.; Helm, M.; Fassbender, J.ORC
Bulk Zinc ferrite (ZnFe2O4) is known to possess a normal spinel structure and is an antiferromagnetic material. However, ferri- or ferro- magnetism has been observed in nanosized ZnFe2O4, which raised the current interest of ZnFe2O4 nanoparticles [1-3]. In this work, crystalline ZnFe2O4 was synthesized by Fe implantation into ZnO at 623 K, following a post thermal annealing. In the as-implanted ZnO sample, a fraction of Fe is in metallic state, and is responsible for the magnetic property. An annealing at 823 K enhanced the Fe particle formation, but Fe nanoparticles were oxidized after an annealing at 1070 K. A further annealing at 1070 K for 3.5 h induced the formation of ZnFe2O4. ZnFe2O4 was identified by x-ray diffraction, transmission electron microscopy and indirectly by room temperature conversion electron Mössbauer spectroscopy. The magnetic property was investigated by superconducting quantum interference device (SQUID) magnetometry (Fig. 1). At 5 K, the sample shows a hysteric loop upon magnetization reversal with a high coecivity of around 400 Oe. The magnetization also was measured as a function of temperature with zero field cooling and field cooling protocol. The zero field cooling curve exhibits a maximum magnetization at a temperature of around 26 K, indicating a nanoparticle magnetic characteristic. The ferromagnetism of ZnFe2O4 can be explained by a partially inverted spinel structure, where Fe ions migrate from octahedral B sites (Fe3+) to tetrahedral A sites (Fe2+), and a strong A-B superexchange interaction produces the ferromagnetic coupling [1-3].

[1] Z. H. Zhou, et al, Appl. Phys. Lett. 79, 3167 (2001).
[2] G. F. Goya, et al, J. Phys.: Condens. Matter 15, 641 (2003).
[3] J. H. Shim, et al, Appl. Phys. Lett. 86, 082503 (2005).
Keywords: Zinc ferrite; Ferromagnetism; Ion implantation; ZnO
  • Poster
    The 4th International Conference on Physics and Applications of Spin Related Phenomena in Semiconductors, 15.-18.08.2006, Sendai, Japan

Publ.-Id: 8451 - Permalink

Mn-silicide nanoparticles formed inside Si using ion implantation
Zhou, S.; Potzger, K.; Zhang, G.; Mücklich, A.; Eichhorn, F.; Grötzschel, R.; Schmidt, B.; Skorupa, W.; Helm, M.; Fassbender, J.ORC
300 keV Mn was implanted into p-Si with a fluence of 1*10ˆ15/cm2, 1*10ˆ16/cm2 and 5*10ˆ16/cm2, respectively, at 620 K. The samples were annealed at 1070 K in N2 ambient for 5 min by rapid thermal annealing. Rutherford backscattering/channeling, transmission electron microscopy and X-ray diraction were applied for structural characterization. Mnsilicide nanoparticles were formed with the size of 5 nm already in the asimplanted samples and grew up to around 30 nm after annealing. Moreover no significant evidence is found for Mn substituting Si sites either in as-implanted or annealed samples. The virgin samples already show a ferromagnetic like behavior, and the moment is slightly increased after implantation (1*10ˆ16/cm2) and annealing by around 0.5 Bohr magneton per Mn. Therefore, the majority of Mn ions formed Mn-silicides, and some are diluted in Si matrix and develop into ferromagnetic coupling. These effects have to be properly considered for the design of Si-based diluted magnetic semiconductors.
[1] M. Bolduc, C. Awo-Aouda, A. Stollenwerk, M. B. Huang, F. G. Ramos, G. Agnello, and V. P. LaBella Phys. Rev. B 71, 033302 (2005).
  • Poster
    DPG Frühjahrstagung 2006, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8449 - Permalink

Carbon ion implantation into aluminium: Mechanical and tribological properties
Foerster, C. E.; Da, S. S. L. R.; Fitz, T.; Dekorsy, T.; Prokert, F.; Kreissig, U.; Richter, E.; Möller, W.; Lepienski, C. M.; Siqueira, C. J. D.;
Aluminium, carbide nucleation and growing kinetics is correlated to the mechanical properties (hardness and elastic modulus), and to the friction coefficients as a function of carbon ion implantation parameters on aluminium. The microstructure of the modified surface was studied by: a) Elastic Recoil Detection Analysis (ERDA), b) Grazing Incidence X-ray Diffraction analysis (GIXRD) and c) Raman spectroscopy. Hardness and elastic modulus profiles were measured by instrumented nanoindentation technique. Pin-on-disc technique in reciprocal scratch mode was employed to obtain the friction coefficient profile. For low carbon fluences (<= 2 x 10(17) C+ cm(-2)) small size (approximate to 4 nm) embedded Al4C3 precipitates were produced. Higher carbon fluences create an amorphous-like structure. Implantations performed at high substrate temperatures can produce big size precipitate (approximate to 40 nm). Surface hardness increases as a function of carbon fluence resulting in values !
of about 6 GPa (20 times Al bulk value). The hardening mechanisms are associated with dislocations to precipitates bowing and/or cutting processes. Implantation parameters ruled the mechanical properties. Tribological responses are more difficult to correlate to the ion implantations conditions. However, wear is reduced when highly disordered C-C cluster are present.
Keywords: aluminium, Carbon ion implantation, hardness, tribology
  • Surface & Coatings Technology 200(2006)18-19, 5210-5219

Publ.-Id: 8448 - Permalink

Determination and evolution of tunneling distances in Ge nanocrystal based memories
Beyer, V.; von Borany, J.; Klimenkov, M.;
A Ge nanocrystal layer embedded in thin SiO2 was prepared by ion beam synthesis in direct-tunneling distance to the Si substrate. The write performance was investigated in metal-oxide-semiconductor capacitors by means of capacitance measurements. With the experimental data and calculations using a floating-gate-like approach, the distribution of the tunneling oxide thickness dtox can be obtained in high precision confirmed by high-angle annular dark-field scanning transmission electron microscopy imaging. The evolution of dtox during heat treatment is discussed in terms of Ostwald ripening; i.e., dtox increases with annealing time.
Keywords: memory, MOS, nanocrystal, Germanium
  • Applied Physics Letters 89(2006), 193505

Publ.-Id: 8447 - Permalink

Ferromagnetic Gd-implanted ZnO single crystals
Zhou, S.; Potzger, K.; Eichhorn, F.; Helm, M.; Skorupa, W.; Mücklich, A.; Fassbender, J.ORC; Herrmannsdörfer, T.; Bianchi, A.
In order to introduce ferromagnetic properties, ZnO single crystals have been implanted with Gd ions at 180 keV ion energy and two different fluences. Magnetization reversal hysteresis loops have been recorded using a superconducting quantum interference device. The virgin ZnO shows a pure diamagnetic behaviour. Besides the diamagnetic background, weak ferromagnetism has been observed for the as-implanted films. Post-implantation annealing greatly improved the magnetism. For a fluence of 5x10ˆ15 Gd/cm2, post implantation annealing at 820K in vacuum leads to an increase of the saturation moment up to 1.8 Bohr magneton per Gd at exactly 300 K thus excluding Gd, ZnGd or Gd2O3 secondary phases to be formed. The increase of the saturation moment can be explained along with changes in resistivity due to the annealing reported elsewhere. Moreover magnetic domains were observed up to 2 microns by atomic/magnetic force microscope, which again evidenced the formation of diluted magnetic semiconductor.
[1]K. Potzger et al, submitted to J. Appl. Phys. (2005).
[2]S. O. Kucheyev et al. J. Appl. Phys. 93, 2972 (2003).
  • Lecture (Conference)
    DPG Frühjahrstagung 2006, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8446 - Permalink

Hemocompatibility of low-friction boron-carbon-nitrogen containing coatings
Maitz, M.; Gago, R.; Abendroth, B.; Camero, M.; Caretti, I.; Kreissig, U.;
Mechanical heart valves are exposed to extreme mechanical demands, which require a surface showing not only nonhaemostatic properties, but also wear resistance and low friction. As alternative to different forms of amorphous carbon (a-C), so-called diamondlike carbon (DLC), the suitability of boron carbonitride (BCN) coatings is tested here for hemocompatible coatings. They have similar mechanical properties like a-C surfaces, but superior chemical stability at ferrous substrates or counterparts. BCN films with different nitrogen content were compared with hydrogenated a-C films regarding their mechanical properties, surface energy, adsorption of albumin and fibrinogen, blood platelet adherence, and activation of the contact system of the clotting cascade and kinin system. Similar mechanical properties and biological response have been found in the BCN films with respect to a-C, indicating the potential of these coatings for biomedical applications. The increase in the cryst!
allinity and tribological properties of the BCN samples with a higher incorporation of N was also followed by a lower protein adsorption and low activation of the contact system, but an increased adherence of thrombocytes. (c) 2005 Wiley Periodicals, Inc.
  • Journal of Biomedical Materials Research Part B 77B(2006), 179-187

Publ.-Id: 8445 - Permalink

Wettability and biocompatibility of nitrogen-doped hydrogenated amorphous carbon films: Effect of nitrogen
Yang, P.; Huang, N.; Leng, Y.; Yao, Z.; Zhou, H.; Maitz, M.; Leng, Y.; Chu, P.;
Amorphous carbon films have been applied in biomedical fields as potential biocompatible materials with wettability that can be adjusted by doping with other elements, including F, Si, Ti, O and N. In this study, nitrogen-doped hydrogenated amorphous carbon (a-C:H:N) films were deposited by PIII-D using C2H2 + N-2 gas mixtures. The biocompatibility and anti-thrombotic properties of the films were assessed in vitro. The surface morphology and surface wettability of the films were characterized using atomic force microscopy (AFM) and a contact angle method. The results show no cytotoxicity for all films, and films with appropriate nitrogen doping possess much better endothelial cell growth and anti-thrombotic properties. (c) 2005 Elsevier B.V. All rights reserved.
  • Nuclear Instruments and Methods in Physics Research B 242(2006), 22-25

Publ.-Id: 8444 - Permalink

Speciation of actinides
Geipel, G.;
Actinides under environmental conditions can be found in a sub-µ-molar to the lower millimolar concentration range. However, the direct detection of species under these conditions with conventional spectroscopic techniques is not possible.
By application of very intense light sources, as are available with the different laser systems the excitation of traces of actinides ions becomes possible. Several ions of actinides possess outstanding spectroscopic properties which allow the detection of species also in the lowest concentration range.
For the non-invasive detection of species in solution especially the laser-induced photoacoustic spectroscopy (LIPAS) and in the case of fluorescing species the time-resolved laser-induced fluorescence spectroscopy (TRLFS) are method of first choice. LIPAS is a very sensitive method for absorption spectroscopy and can be applied therefore for all non-fluorescent systems. Compared to conventional UV-VIS spectroscopy up to three orders of magnitude lower detection limits can be achieved. TRLFS is only applicable in systems where the deexcitation takes place via radiative processes with emission of photons. In the series of the lower actinides here the systems containing protactinium(IV), uranium(IV) and uranium(VI) as well as americium(III) and curium(III) have to be named. Due to the extremely high quantum efficiency of curium(III) ions concentrations down to 10-11 mol/L can be observed be TRLFS. On the other hand organic ligands as humic substances are ubiquitous in the nature. The interaction of such compounds with actinides can also studied using the fluorescence properties of the organic ligand. A brief overview for these methods will be given.
Examples for the application of the laser-induced spectroscopic methods we be given. At first examples for the spectroscopy and detection of uranium species in natural waters from mining related to drinking waters will be shown. As special case the determination pure uranyl carbonate species, which are non-fluorescent at room temperature, will be shown. Also the interaction with sulfate, phosphate and arsenate will be touched on. The application of LIPAS will be shown especially for the uranium(IV) phosphate and arsenate systems. As uranium(IV) shows also fluorescence properties some problems with the detection of these species will be summarized. Studies of the interaction of curium and americium with several ligands will also shortly summarized.
Polyelectrolytic organic macromolecules, like humic substances, are important complexing agents towards actinide metal ions. Due to these properties humic substances are possible carriers for the migration of actinides in the environment. The study of the high molecular compounds is very complex. Therefore the investigation of simple model ligands would give a more detailed description of the binding behavior of humic substances. Especially the different bonding of carboxylic and phenolic group and the discrimination between them is of interest to get more detailed information about the complex formation. To study the complex formation of actinides with such organic ligands the TRLFS with ultrashort excitation pulses is a very suitable method.
Keywords: Laser-induced spectroscopy, actinides, organid ligands
  • Invited lecture (Conferences)
    Selected topics on nuclear methods for non-nuclear applications, 27.-30.09.2006, Varna, Bulgaria

Publ.-Id: 8443 - Permalink

Microscopic theory of impurity states in coupled quantum wells and superlattices
Stehr, D.; Helm, M.; Metzner, C.; Wanke, M. C.;
We present a theory of impurity states in quantum wells and superlattices which treats the confining heterostructure potential and the random impurity potential on the same footing. The relevant 3D Hamiltonian is diagonalized exactly in the low-doping regime. The results are used to calculate infrared absorption spectra which contain contributions of impurity and intersubband transitions. We mainly discuss the excited impurity states, which are pinned to higher subbands and are resonant states in the continuum. After a detailed analysis of a coupled quantum well system, we study the transition to a superlattice. In particular, we are able to reproduce existing experimental data on a quadruple quantum well, which had not been understood in the past.
  • Physical Review B 7408(2006)8, 511

Publ.-Id: 8442 - Permalink

Experiments and ANSYS CFX simulations of horizontal air-water channel flow phenomena
Höhne, T.; Vallee, C.;
For the investigation of stratified two-phase flow, two horizontal channels with rectangular cross-section were built at Forschungszentrum Rossendorf. The channels allow the investigation of air/water co-current flows, especially the slug behaviour, at atmospheric pressure and room temperature. The test-sections are made of acrylic glass, so that optical techniques, like high-speed video observation or particle image velocimetry (PIV), can be applied for measurements. The rectangular cross-section was chosen to provide better observation possibilities. Moreover, dynamic pressure measurements were performed and synchronised with the high-speed camera system.
CFD post test simulations of stratified flows were performed using the code ANSYS-CFX. The Euler-Euler two fluid model with the free surface option was applied on grids of minimum 4∙105 control volumes. The turbulence was modelled separately for each phase using the k-ω based shear stress transport (SST) turbulence model. The results compare very well in terms of slug formation, velocity, and breaking. The qualitative agreement between calculation and experiment is encouraging and shows that CFD can be a useful tool in studying horizontal two-phase flow.
Keywords: CFD, Stratified flow, horizontal channel
  • Contribution to proceedings
    Multiphase Flows: Simulation, Experiment and Applications, 26.-29.06.2006, Dresden, Germany
  • Lecture (Conference)
    Multiphase Flows: Simulation, Experiment and Applications, 26.06.2006, Dresden, Germany

Publ.-Id: 8441 - Permalink

Modeling of a buoyancy-driven flow experiment at the ROCOM test facility using the CFD-Code ANSYS CFX
Höhne, T.; Kliem, S.; Weiß, F.-P.;
The influence of density differences on the mixing of the primary loop inventory and the Emergency Core Cooling (ECC) water in the downcomer of a Pressurised Water Reactor (PWR) was analyzed at the ROssendorf COolant Mixing (ROCOM) test facility. ROCOM is a 1:5 scaled model of a German PWR, and has been designed for coo¬lant mixing studies. It is equipped with advanced instrumen¬ta¬tion, which delivers high-resolution information for temperature or Boron concen¬tra¬tion fields. This paper presents ROCOM experiments in which water with higher density was injected into a cold leg of the reactor model. Wire-mesh sensors measuring the concentration of a tracer in the injected water were installed in the upper and lower part of the downcomer. An experiment with 5 % of the design flow rate in one loop and 10 % density difference between the ECC and loop water was selected for validation of the CFD software ANSYS CFX. A mesh with two million control volumes was used for the calculations. The effects of turbulence on the mean flow were modelled with a Reynolds stress turbulence model. The results of the experiment and of the numerical calculations show that mixing is dominated by buoyancy effects: At higher mass flow rates (close to nominal conditions) the injected slug propagates in the circumferential direction around the core barrel. Buoyancy effects reduce this circumferential propagation. The ECC water falls in an almost vertical path and reaches the lower down¬comer sen¬sor directly below the inlet nozzle. Therefore, density effects play an important role during natural convection with ECC injection in PWRs. ANSYS CFX was able to predict the observed flow patterns and mixing phenomena quite well.
Keywords: CFD, Boron Dilution, ROCOM
  • atw - International Journal for Nuclear Power 3(2007), 168-174

Publ.-Id: 8440 - Permalink

Flow experiments and VGF growth with a travelling magnetic field
Lantzsch, R.; Galindo, V.; Pätzold, O.; Gerbeth, G.; Stelter, M.;
The status of flow modelling under the influence of a travelling magnetic field for the purpose of melt control in VGF growth of GaAs is summarized. Global heat flux modeling is combined with flow simulation, flow stability analysis, and model experiments using the eutectic melt GaInSn.
  • Lecture (Conference)
    DGKK-Arbeitskreis, 22.03.2006, Erlangen, Germany

Publ.-Id: 8439 - Permalink

Tailoring the microstructure and mechanical properties of Ti-Al alloy using a novel electromagnetic stirring process
Biswas, K.; Hermann, R.; Das, J.; Priede, J.; Gerbeth, G.;
The microstructures and mechanical properties of Ti45Al55 alloys were investigated in terms of the melt convection state during solidification. The samples were subjected to conventional induction melting as well as enhanced melt stirring by application of an external magnetic field using a specially designed floating zone arrangement. The stirred samples showed a significant improvement of the plastic deformability (16.9 %) up to 1137 MPa stress. A strong morphology change from dendritic to spherical shape geometry and an increased properitectic phase fraction was observed after stirring. The possible reasons were explained as result of spherical growth under forced convection, rather than a consequence of fragmentation of dendrite arms. An increase in the semi-coherent interfaces between g/a2 interfaces and the lack of orientation anisotropy of the spherical shape (g+a2) colonies in the stirred sample may contribute to the higher deformability of the stirred samples. Reduced Vickers hardness values of the g-matrix and increased hardness of the (g+a2) lamellar structure in the stirred samples is attributed to redistribution of oxygen and reduced interlamellar g/a2 spacing.
  • Scripta Materialia 55(2006)I2, 1143-1146

Publ.-Id: 8438 - Permalink

Applied MHD at Forschungszentrum Rossendorf – a review of R&D activities on tailored magnetic fields and liquid metal measuring techniques
Gerbeth, G.;
Magnetic fields provide an attractive contact-less influence on the motion of metallic or semiconductor melts and the related heat and mass transfer. An optimal design of the magnetic field is often difficult due to the lack of experimental access to the velocity field in such opaque melts. Several recently developed measuring techniques will be presented which allow an almost complete velocity resolution in metallic melts up to temperatures of about 400C. On this basis a combination of cold liquid metal model experiments with numerical simulations represents a powerful approach, allowing to develop tailored magnetic field systems. Various examples will be presented ranging from crystal growth, aluminum investment casting, thermoelectric effects, melt mixing, metal fiber production, electromagnetic levitation, to metal solidification. In many cases, only a special combination of AC and DC magnetic fields provides an optimal solution for the desired melt flow control.
  • Lecture (others)
    Research Institute of Industrial Science & Technology, 29.03.2006, Pohang, Korea

Publ.-Id: 8436 - Permalink

Effect of melt convection on microstructure evolution of Nd-Fe-B alloys using a forced crucible rotation technique
Biswas, K.; Hermann, R.; Acker, J.; Gerbeth, G.; Priede, J.; Shatrov, V.;
The forced crucible rotation technique has been applied to the solidification of Nd-Fe-B alloys. Specially sealed samples were subjected to well-defined forced rotation during induction heating and solidification. The resulting microstructure of the Nd-Fe-B alloys in consideration of melt convection has been investigated using scanning electron probe microscopy. The determination of the a-Fe volume fraction by measuring the magnetic moment in a vibrating sample magnetometer (VSM) resulted in a distinct reduction of the a-Fe volume fraction in samples with high crucible rotation frequencies. Furthermore, the investigation has been extended the peritectic Ti-Al system. It could be shown that the secondary dendritic arm spacing of the properitectic phase reduces with increasing forced sample rotation frequency.
  • Lecture (Conference)
    DPG-Jahrestagung, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8435 - Permalink

Influence of energetic ions and neutral atoms on the L10 ordering of FePt films
Cantelli, V.; von Borany, J.; Fassbender, J.ORC; Grenzer, J.
With respect to future magnetic recording materials, the L10-ordering of stoichiometric FePt films (70 nm) deposited on amorphous SiO2 by dc magnetron co-sputtering has been studied. A low deposition rate (0.6 Å/s) and Ar pressure (0.3 Pa) was used. The kinetics of structural A1 - L10 transition and the degree of ordering have been investigated with in-situ X-ray diffraction at the Synchrotron beam line ROBL at ESRF. The transition to almost complete ordered L10 films with an ordering parameter S > 0.8 has been obtained at low temperatures of (320 +/- 20)°C. An additional post-deposition ion irradiation with He ions at RT or at 250°C (50 keV, 1x1015 - 3x1016 cm-2) does not influence this low transition temperature. Theoretical calculations reveal that for our experimental conditions no thermalization of the sputtered atoms and the reflected Ar neutrals in the plasma occur; thus, a considerable fraction of energetic ions and neutrals meet the substrate with energies partly exceeding the displacement threshold. The low transition temperature is explained in the reduction of the activation energy for atomic reordering by point defects which becomes mobile at temperatures higher or equal to 250°C. Using operating conditions with a strong thermalization (deposition at 2 Pa), the FePt film showed an increase of the transition temperature to 400°C and a reduced film density. Finally, the results of first experiments towards patterned L10 ordered FePt layers will be reported.
Keywords: FePt, L10 transition, magnetron sputtering process, ion irradiation
  • Poster
    IBMM 2006, 18.-22.09.2006, Taormina, Italy

Publ.-Id: 8434 - Permalink

Magnetic, structural and electronic properties of Fe implanted GaN
Talut, G.; Reuther, H.; Eichhorn, F.; Mücklich, A.; Potzger, K.;
The request for room-temperature diluted magnetic semiconductors resulted in a large interest in GaN containing transition metals. In contrast to the (Ga,Mn)N-system, the origin of the ferromagnetism in Fe implanted GaN is still not sufficiently investigated. The formation of secondary phases and valence states of Fe play an important role in the discussion of the source of the ferromagnetism.
In this study, the electronic, structural and magnetic properties of p-GaN implanted with Fe+ (1 - 16 · 1016 cm^-2) at 350° C and subsequently annealed at 650° - 1000° C were examined by conversion electron Mössbauer spectroscopy, x-ray diffraction, transmission electron microscopy and magnetometry.
First experiments show ferromagnetic behaviour above room temperature in samples implanted with the highest amount of Fe. First x-ray diffraction and conversion electron M¨ossbauer spectroscopy measurements reveal the creation of alpha-Fe-clusters which are most likely responsible for the ferromagnetism.
Keywords: Spintronics, ferromagnetism, (Ga,Fe)N, Mössbauer, clusters
  • Lecture (Conference)
    DPG - spring meeting of the Division Condensed Matter, EPS - 21st General Conference of the Condensed Matter Division, 26.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8433 - Permalink

Oberflächenmodifikation von Titanlegierungen mit einem niederenergetischen starken Elektronenstrom bei höheren Ausgangstemperaturen
in Russian
Rotstein, V. P.; Günzel, R.; Markov, A. B.; Proskurovskij, D. I.; Pham, M. T.; Richter, E.; Shulov, V. A.;
wird nachgereicht
Keywords: titan alloy, surface modification, elektron beam
  • Fisika i khimiya obrabotki materialov (2006)1, 62-72

Publ.-Id: 8432 - Permalink

Influence of energetic ions on the L10 ordering of FePt films fabricated by magnetron sputtering
Cantelli, V.; von Borany, J.; Grenzer, J.; Fassbender, J.ORC
Due to the high uniaxial anisotropy L10-ordered FePt is currently the most favored candidate for future high density storage applications. With respect to a feasible fabrication technology, it is necessary (i) to produce such films on amorphous substrates, and (ii) to enable a low processing temperature (T<400°C). FePt films deposited at RT only exhibit the face-centered cubic A1-phase. Thus, either deposition or a post-deposition heat treatment at temperatures above typically 500°C is required, in order to achieve the L10-phase. We report on the L10 ordering of stoichiometric FePt thin films fabricated on SiO2/Si substrates by magnetron sputtering at various temperatures (RT - 400°C). Using a low deposition rate of about 0.6 Å/s and an Ar pressure of 0.3 Pa the ion/atom-ratio during deposition is » 1 where the ions exhibit energies of about 20 eV. In addition, FePt films have been irradiated subsequently with He ions of 50 keV and fluencies between 1x1015 and 3x1016 cm−2 for comparison. The kinetics of A1-L10 transition and ordering have been investigated with in-situ X-ray diffraction at the Synchrotron-beamline ROBL at ESRF. L10 ordered FePt films with an ordering parameter S=0.8 have been achieved already for an overall process temperature below 350°C. The results are discussed in terms of ion-assisted activation and segregation which supports the atomic relocation during L10 ordering.
Keywords: FePt, L10 transition, magnetron sputtering, ion irradiation
  • Lecture (Conference)
    DPG - spring meeting of the Division Condensed Matter, EPS - 21st General Conference of the Condensed Matter Division, 26.-31.03.2006, Dresden, Germany

Publ.-Id: 8431 - Permalink

Bakterien - die heimlichen Herrscher unserer Erde
Raff, J.;
Bakterien waren die ersten Lebewesen auf unserem Planeten. Über die Jahrmilliarden haben sie gelernt, sich an jeden noch so unwirtlichen Lebensraum anzupassen und nahezu jede noch so komplexe chemische Verbindung abzubauen. Fälschlicherweise haben sie sich insbesondere als Krankheitserreger einen „Namen“ gemacht. Bei genauerer Beschäftigung mit diesen kleinsten Lebewesen wird nämlich schnell klar, dass es sich dabei nur um Ausnahmeerscheinungen handelt. Nach vorsichtigen Schätzungen kennt man zwar nur etwa 1 % aller Bakterien, aber es ist unumstritten, dass nur durch ihre Aktivität das Leben in seiner heutigen Form möglich geworden ist. Neben ihrem fundamentalen Beitrag zur Entstehung der heutigen Atmosphäre und damit der Grundlage unseren Lebens, sorgen sie außerdem dafür, dass die Kreisläufe der Natur nicht zum Erliegen kommen.
Der Vortrag soll dazu einen Überblick geben und am Beispiel ungewöhnlicher Leistungen sowie besonderer Eigenschaften der Bakterien deren Anwendungspotential vor dem Hintergrund der Arbeiten am Forschungszentrum Rossendorf aufzeigen.
  • Lecture (others)
    Tag des offenen Labors, 20.05.2006, Dresden, Germany

Publ.-Id: 8430 - Permalink

Ion erosion induced ripples as templates for ultrathin magnetic films – ripple-induced anisotropies
Liedke, M. O.; Liedke, B.; Keller, A.; Rossbach, S.; Facsko, S.; Fassbender, J.ORC
The substrate/interface morphology and roughness plays a crucial role for the determination of the magnetic properties of ultrathin films. An anisotropic roughness can easily create magnetic anisotropy contributions of the same symmetry. It will be demonstrated that ion erosion fabricated ripples can be used to tailor the magnetic anisotropy and lead to a dramatic enhancement of the uniaxial magnetic anisotropy of Permalloy by a factor of up to 20.
By means of 500 eV Ar+ ion erosion a rippled Si surface with a well defined periodicity (20 – 60 nm) and peak to valley height (2 – 5 nm) is created. The surface topography is investigated by means of atomic force microscopy. On top of this naturally oxidized surface, first a metallic buffer layer and then a 9 nm thin Permalloy layer is deposited by means of thermal evaporation. Depending on the buffer layer material (Cr, Mn, Pt, Cu) and thickness (0 – 20 nm) the ripple morphology is reproduced to a variable extent by the Permalloy film. The magnetization reversal behavior and the ripple-induced magnetic anisotropies are investigated by means of magneto-optic Kerr effect measurements and correlated to the interface morphology. An easy route for the tailoring of magnetic anisotropies is shown.
Keywords: magnetism, ion erosion, ripples, induced anisotropies
  • Poster
    IBMM 2006, 18.-22.09.2006, Taormina, Italia

Publ.-Id: 8428 - Permalink

Tailoring magnetic properties by implantation doping of thin Ni81Fe19 layers
Fassbender, J.ORC; von Borany, J.; Mücklich, A.; Potzger, K.; Möller, W.; McCord, J.; Schultz, L.; Mattheis, R.
The layer magnetization, the saturation magnetization as well as the magnetic anisotropy and damping behavior of 20 nm thick Ni81Fe19 films have been modified by 30 keV Cr, Ni and Co ion implantation with fluences up to 11016 ions/cm2 ( 5 atom-%). As a function of fluence first an improvement of the (111) fiber texture, then a lattice expansion and finally a partial amorphization of the interface near region of the Ni81Fe19 layer is found. The region of amorphization can be understood quantitatively by the concentration profiles as a function of depth in combination with irradiation induced damage formation. The magnetic properties change correspondingly. Magneto-optic Kerr effect magnetometry and inductive techniques have been used to determine the layer magnetization and the static magnetic anisotropy. A strong reduction of the magnetization with increasing implantation fluence is found. This reduction can be decomposed in a reduction of the active magnetic layer thickness and a reduction of the saturation magnetization. The latter one has been determined by means of pulsed inductive microwave magnetometry. This technique allows in addition the determination of the dynamic anisotropy, the relaxation rate and the magnetic damping constant. A reduction in magnetic anisotropy and a strong increase of the magnetic damping behavior is observed as a function of implantation fluence which is mainly attributed to doping effects. However, also radiation induced damage effects have to be considered in order to fully understand the change in magnetic properties.
Keywords: magnetism, magnetic anisotropy, saturation magnetization, magnetic damping, ion implantation
  • Lecture (Conference)
    IBMM 2006, 18.-22.09.2006, Taormina, Italia

Publ.-Id: 8427 - Permalink

Memory effects in interacting and non-interacting ion beam synthesized nanoparticle systems
Zhang, G.; Potzger, K.; Zhou, S.; Mücklich, A.; Ma, Y.; Fassbender, J.ORC
The magnetic properties of both interacting and non-interacting iron nanoparticle systems were investigated by means of SQUID magnetometry. Both nanoparticle systems were produced by ion beam synthesis. For this purpose Fe+ was implanted into diamagnetic LaAlO3 substrates with a fluence of 6×1016 cm-2 at an energy of 120 keV at either 400°C or 800°C. It is observed that for the lower (higher) temperature a non-interacting (interacting) nanoparticle ensemble is created. The size distribution of the nanoparticles is studied by transmission electron microscopy. The memory effects in these systems were investigated by field-cooling and zero field-cooling magnetization measurements. Both analysis methods should help to settle the controversy whether the interaction between superparamagnetic particles or their size distribution is responsible for the memory effect [1, 2].

[1] Y. Sun et al., Phys. Rev. Lett. 91, 167206 (2003).
[2] R. K. Zheng et al., Phys. Rev. Lett. 93, 139702 (2004).
Keywords: magnetism, memory effects, nanoparticles, ion beam synthesis
  • Poster
    IBMM 2006, 18.-22.09.2006, Taormina, Italia

Publ.-Id: 8426 - Permalink

Laser induced precessional switching in exchange biased NiFe/FeMn bilayers
Weber, M.; Blomeier, S.; Hillebrands, B.; Fassbender, J.ORC
Laser pulse induced field assisted precessional switching in exchange coupled mesoscopic NiFe/FeMn striplines has all-optically been triggered and magneto-optically observed in real time with switching times down to 500 ps. A fast decoupling of the exchange bias bilayer launches coherent precession of the magnetization of the ferromagnetic layer of the exchange bias system. By properly choosing the initial equilibrium orientation the optical unpinning of the bilayer can induce complete magnetization switching. Stroboscopic time domain imaging of the switching event has been realized by a sophisticated synchronization scheme of a magnetic preset pulse and both the optical pump and probe pulses, respectively. The observed laser assisted switching can be well described by the Landau-Lifshitz-Klaasen-van Peppen equation combining precessional and thermally activated spin dynamics.
Keywords: magnetism, magnetization dynamics, all-optical, pump-probe, exchange bias
  • Poster
    21st General Conference of the EPS Condensed Matter Division, 27.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8425 - Permalink

Magnetization reversal in NiFe/FeMn ion irradiated patterns
Candeloro, P.; Blomeier, S.; Beck, A.; Schultheiss, H.; Nembach, H.; Hillebrands, B.; Liedke, M. O.; Fassbender, J.ORC; Reuscher, B.
Recently ion irradiation has been proposed as a patterning tool for different magnetic systems. The increasing interest for this technique is due to the capability of tailoring the magnetic properties without affecting the sample topography. We present a study of the magnetic properties of patterns with different geometries produced by ion irradiatio on a Ni81Fe19/Fe50Mn50 exchange bias bilayer by magneto-optic Kerr effect (MOKE) magnetometry and magnetic force microscopy (MFM). The hysteresis loops measured by MOKE present features evidently related to the irradiated geometries. Moreover they also reveal that the magnetization reversal is not proceeding independently in irradiated and non-irradiated areas. This magnetic coupling is confirmed by MFM images, which clearly show that magnetic domains in irradiated and non-irradiated elements are mutually influencing each other during the reversal process. Comparison with previous studies indicates that the above mentioned coupling dramatically affects the reversal process only when the lateral size of irradiated elements approaches a characteristic coupling length.
Keywords: magnetism, exchange bias, ion irradiation, MOKE, MFM, domains, patterning
  • Poster
    21st General Conference of the EPS Condensed Matter Division, 27.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8424 - Permalink

Diluted magnetic semiconductors created by non-equilibrium processing -new challenges for ion beams
Potzger, K.; Zhou, S.; Zhang, G.; Reuther, H.; Talut, G.; Mücklich, A.; Eichhorn, F.; Schell, N.; Grötzschel, R.; Skorupa, W.; Helm, M.; Anwand, W.; Brauer, G.; Fassbender, J.ORC
Diluted magnetic semiconductors (DMS) are based on common semiconducting material like GaAs, Si, Ge, InP, GaN or ZnO doped with a few percent of a transition or rare earth metal. While early work has been performed mainly by polish groups in the 1970ies and 80ies, DMS have attracted worldwide scientific attention during the last 5 years due to their application potential in spintronics. This was triggered by the discovery of ferromagnetic GaMnAs and the theoretical prediction of room temperature ferromagnetism for ZnO:Mn and GaN:Mn by T. Dietl and H. Ohno [1]. One of the main obstacles while creating a DMS is secondary phase formation. Since solubility limits are rather low, non-equilibrium doping techniques like low temperature film growth are commonly used. On the other hand, ion implantation offers superb possibilities for low temperature doping but is always connected with lattice damage of the target material. Combining ion implantation with another non-equilibrium technique, i.e. rapid thermal annealing, leads to a diluted state while the crystallinity of the target material is restored. This has been shown for Si:Mn [2].
Recently, we investigated the secondary phase formation for Fe,Co and Ni as well as Gd, Tb implanted in ZnO single crystals. We found, that at an implantation temperature of 623 K tiny superparamagnetic nanoparticles are formed in all transition metal (TM) doped samples. These phases can hardly be identified using lab X-ray diffraction (XRD), e.g. in the case of Fe. Only application of high resolution methods like synchrotron XRD, susceptometry, Mössbauer spectroscopy and transmission electron microscopy allows their identification [3]. On the other hand, rare earth implanted samples show a diluted state up to annealing temperatures of 823 K. For both ZnO:Tb and ZnO:Gd a ferromagnetic order was found. Low temperature TM implantation (253 K) leads to a 100% diluted state. The TM-ions however do not couple magnetically that can be caused by the lattice damage introduced due to the implantation. Very rapid thermal processing using flash lamps with 20 ms pulse width leads to a significant recovery of the lattice order, while only a small amount of nanoparticles is created.

[1] T. Dietl, et al., Science 287, 1019 (2000).
[2] M. Bolduc, et al., Phys. Rev. B 71, 033302 (2005).
[3] K. Potzger, et al., Appl. Phys. Lett. 88, 052508 (2006).
Keywords: diluted magnetic semiconductors, ZnO, ion implantation
  • Lecture (Conference)
    IBMM 2006, 18.-22.9.2006, Taormina, Italy
  • Lecture (Conference)
    EMRS Fall Meeting 2006, 04.-8.9.2006, Warschau, Poland
  • Invited lecture (Conferences)
    Fachbereichsseminar der AG W. D. Brewer, Freie Universität Berlin, 8.11.2006, Berlin, Deutschland
  • Invited lecture (Conferences)
    Fachbereichsseminar der AG B. K. Meyer, Universität Giessen, 2.2.2007, Giessen, Deutschland
  • Invited lecture (Conferences)
    Institutseminar des Physikalischen Instituts der Universität Karlsruhe, 6.11.2006, Karlsruhe, Deutschland

Publ.-Id: 8423 - Permalink

Einfluss der mittleren freien Weglänge von Positronenstrahlern auf das Auflösungsvermögen im 3D Tier-PET Scanner unter Verwendung verschiedener Rekonstruktionsalgorithmen
Höhne, R.; Will, E.; Lüdemann, L.; Ruf, J.; Jaeschke, E.; Felix, R.; Amthauer, H.;
In klinischen PET Scannern ist das räumliche Auflösungsvermögen durch physikalische Größen wie der Gantry und der Kristallgröße (zur Zeit 4 x 4 mm) limitiert. Dagegen ist im Tier-PET das räumliche Auflösungsvermögen durch eine kleine Gantry und eine geringere Kristallgröße (2 x 2 mm) erhöht, sodaß dem Einfluß der mittleren freien Weglänge der Positronen bei Verwendung unterschiedlicher Nuklide für die Entwicklung neuer PET Radiopharmaka eine erhebliche Bedeutung zukommen könnte.

Es wurden bei 3 Radionukliden (F-18, O-15, Ga-68) je 2 Phantommessungen durchgeführt. Die Messungen erfolgten mit einem MOSAIC PET Scanner der Firma Philips an dem Tier-PET Phantom 50/106 der Firma BS Industrieelektronik & Medizintechnik. Das Phantom hat insgesamt 298 Kanäle mit Durchmessern in Stufen von 1,0 mm, 1,5 mm, 2,0 mm, 2,5 mm und 3,0 mm. Die Phantommessungen wurden ohne Schwächungskorrektur mit 0,5 mm Auflösung und unterschiedlichen Methoden (3D Ramla, Ramla, Iterativ, Butterworth-FTB, Gaussian-FTB, Hanning-FTB) rekonstruiert. Zuerst wurde das Auflösungsvermögen bei F-18, O-15 und Ga-68 visuell verglichen. Es wurde dann beim kleinsten gemeinsamen Auflösungsniveau jeweils der mittlere Kontrast (Differenzsignal/Hintergrundsignal) für die obengenannten Rekonstruktionen ermittelt.

Visuell konnten mit F-18 noch 1,5 mm Kanäle, mit O-15 und Ga-68 2,0 mm Kanäle aufgelöst werden, es ergab sich kein nennenswerter Unterschied bezüglich der jeweiligen Rekonstruktionsmethode. Die Kontrastermittlung erfolgte daher bei 2,0 mm Kanaldurchmesser. Hingegen wurde beim semiquantitativen Vergleich der verschiedenen Rekonstruktionsverfahren der höchste Kontrast für jedes Nuklid mit 3D Ramla erzielt. Die mittleren Kontraste für die Rekonstruktion mit 3D Ramla lag bei 1,36 für F-18, bei 1,23 für O15 und bei 0,78 für Ga-68.

Die Phantommessungen im Tier-PET zeigen zum einen eine deutliche Abhängigkeit von Auflösung und Kontrast vom jeweiligen Rekonstruktionsverfahren, wobei der Rekonstruktionsparameter 3D Ramla die besten Ergebnisse erzielte. Zum anderen wurde der Einfluss der mittleren freien Weglänge des jeweiligen Isotops auf die Auflösung demonstriert. Beide Einflussgrößen müssen bei der Anwendung eines Tier-PETs für die zu erreichende Auflösung berücksichtigt werden.
  • Poster
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Deutschland
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A125

Publ.-Id: 8422 - Permalink

Quantifizierung des Uptake von Rhenium-188-HEDP im trabekuären und kortikalen Knochen sowie in Knochenmetastasen im Tierversuch
Liepe, K.; Geidel, H. H.; Bergmann, R.; Barth, M.; Runge, R.; Kotzerke, J.;
Die MIRDDOSE Annahme einer 50% zu 50% Verteilung knochenaffiner Radiopharmaka im kortikalen und der trabekulären Knochen sowie einer homogene Anreicherung in den Knochenmetastasen dürfte nicht den reellen Verhältnissen entsprechen.

Ein Modell zur Induktion von osteoblastischen Knochenmetastasen wurde durch intra-ossäre Injektion von Prostata-Karzinomzellen bei Kopenhagenratten in einer Vorversuchsserie entwickelt. In histologischen Untersuchungen konnte das Vorliegen von osteoblastischen Knochenmetastasen bewiesen und diese szintigraphisch dargestellt werden.

Bei 45 Kopenhagenratten (Alter: 9 ± 2 Monate, Gewicht: 318 ± 22g) wurden jeweils 100.000 R3327 Mat-Ly-Tu Zellen in beide Femura injiziert. Ab dem 12. Tag nach Zellapplikation war makroskopisch ein Tumor gut sichtbar. 17 ± 1 Tage nach Tumorzellapplikation erfolgte die Applikation von 134 ± 53 MBq Re-188-HEDP sowie nachfolgend die Tötung von jeweils 15 Tiere 4, 24 und 48 Stunden. Coronare Gefrierschnitte (Cryopolycut, Leica, 40 #mikro#m dick) wurden autoradiographisch mit einer Auflösung von 0,5 #mikro#m (BAS 500, Fuji) untersucht. Mittels ROI-Technik erfolgte die Bestimmung der Anreicherung des Re-188-HEDP pro mm3. Nachfolgend wurden die Verhältnisse zwischen Tumor und normaler Knochen (T/NT) berechnet, sowie die Verteilung im kortikalen und der trabekulären Knochen quantifiziert.

Es zeigte sich eine Verteilung im kortikalen und der trabekulären Knochen von 33,5% zu 66,5% nach 4h, von 34,6% zu 65,4% nach 24h und von 35,9% zu 64,1% nach 48h (p = 0,788 bis 0,871). In den Knochenmetastasen zeigte sich eine stark inhomogene Anreicherung mit einer minimalen und maximalen T/NT von 3:1 und 14:1 nach 4h, von 5:1 und 14:1 nach 24h sowie von 5:1 und 16:1 nach 48h, der Anstieg über die Zeit ist nicht signifikant. Die maximale Anreicherung in einer Metastase betrug 22:1. Bei erneuter Berechnung der Knochenmarkdosis aus vorliegender Daten einer Rhenium-188-HEDP Therapie beim Menschen, ergab sich bei einer Zugrundelegung einer Verteilung von 35% zu 65% (kortikal zu trabekulär) eine um 135% höhere Dosis als bei einer Verteilung von 50% zu 50%.

Das MIRDOSE Schema unterschätzt die reelle Dosis im Knochenmark. Die stark inhomogene Anreicherung in den Knochenmetastasen führt zu einer inhomogenen Dosisverteilung in den Metastasen, bei Anwendung von Betastrahlern mit einer höheren Beta-Energie lässt sich eine homogenere Dosisverteilung erreichen.
  • Poster
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Deutschland
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A112

Publ.-Id: 8421 - Permalink

Automatisierte Koregistrierung von dynamischen FDOPA PET-Studien: Anwendung als Bewegungskorrekturmethode
Hofheinz, F.; Pötzsch, C.; van den Hoff, J.;
Dynamische PET-Studien mit FDOPA erlauben die Beurteilung des striatalen Dopamin-Uptakes und sind damit ein wichtiges Werkzeug in der Diagnose des Morbus Parkinson. Diese Aufnahmen erfordern typischerweise Akquisitionszeiten von ein bis zwei Stunden während deren die Patientenbewegung nicht vollständig vermieden werden kann. Diese Bewegung kann die Analyse der Tracerkinetik stark beeinträchtigen oder gar unmöglich machen. Ziel dieser Arbeit ist eine routinetaugliche Methode um die Patientenbewegung in den PET-Volumina zu korrigieren. Dazu stellen wir eine Methode zur Bewegungskorrektur vor, die auf der vollautomatischen Koregistrierung der dynamischen Studien beruht.

Es wurden 33 dynamische FDOPA Studien koregistriert und bezüglich der Effekte der Patientenbewegung untersucht. Die Koregistrierung basiert auf starren Transformationen, wobei die besten Transformationsparameter durch Maximieren der Mutual Information (MI) erhalten werden. Die Maximierung der MI erfolgt mittels der Methode der konjugierten Gradienten. Alle Frames der dynamischen Studien wurden gegen das letzte Frame der jeweiligen Studie vollautomatisch koregistriert. Der FDOPA-Uptake im Striatum wurde in den unkorrigierten und in den korrigierten Daten mit einem Referenz-Tissue Zwei-Kompartment Modell bestimmt. Zum einen wurden aus den dynamischen Studien parametrische Bilder erstellt, aus denen sich der FDOPA-Uptake ermittelt lässt. Zum anderen ergab sich der Uptake aus den Zeitaktivitätskurven der in den parametrischen Bildern festgelegten ROIs. Die Ergebnisse für unkorrigierte und bewegungskorrigierte Bilddaten wurden verglichen.

In 16 der 33 Studien führte die Patientenbewegung zu Artefakten in den parametrischen Bildern und zu einem bis zu 70 % über- bzw. unterbewerteten FDOPA-Uptake im Striatum. Dieser Effekt war auch in den Zeitaktivitätskurven deutlich sichtbar. Die angewandte Koregistrierung vermochte in allen untersuchten Studien die Patientenbewegung zu korrigieren. Das verwendete Programm benötigte ca. 10 min. Rechenzeit je Studie (21 Frames) auf einem durchschnittlichen Computersystem. Studienabhängige Einstellungen von Registrierungsparametern waren hierbei nicht notwendig, was eine zuverlässige Stapelverarbeitung von Serien von Studien erlaubt.

Die robusten Ergebnisse und die einfache Handhabung erlauben einen routinemäßigen Einsatz dieser Bewegungskorrekturmethode.
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A32

Publ.-Id: 8420 - Permalink

Möglicher Einfluss von F-18-3-O-methyl-fluordopa (OMFD) und Positronen-Emissions- Tomographie (PET) auf die Bestrahlungsplanung von Hirntumoren
Beuthien-Baumann, B.; Alheit, H.; Oehme, L.; Winkler, C.; Füchtner, F.; Höpping, A.; Kotzerke, J.;
Die Bestrahlungsplanung beruht auf einem komplexen Zielvolumenkonzept, dass die Tumorregion erfassen (gross tumor volumen,GTV), subklinische Tumorausdehnung beinhalten und Lagerungsinkonsistenzen zwischen den einzelnen Bestrahlungsfraktionen ausgleichen soll (planning target volumen, PTV). Der Einfluss der OMFD-PET auf die Bestrahlungsplanung von Hirntumoren wurde anhand folgender Fragen untersucht: Wurden mit OMFD-PET Tumorareale angezeigt, die nicht vom konventionell erstellten PTV erfasst wurden? Könnte das Einbeziehen von OMFD-PET in die Bestrahlungsplanung das PTV im Vergleich zur konventionellen Planung potenziell verkleinern?

Bei 30 Patienten mit malignen Hirntumoren wurde OMFD-PET nach subtotaler Resektion und vor Strahlentherapie durchgeführt. Die PET-Daten und soweit vorhanden prä- und postoperative T1-gewichtete MRT-Studien wurden retrospektiv mit dem Planungs-CT am Bestrahlungsplanungssystem Pinnacle 3 überlagert. Die Tumorareale im PET und Kontrastmittelanreicherung im MRT wurden als einzelne GTV markiert und in das Planungs-CT integriert. Es erfolgte der Vergleich der GTV-OMFD und GTV-MRTprä/post mit dem GTV-konv, das allein auf dem Planungs-CT und der visuellen Bildbeurteilung des MRT beruht.

Bei 28 von 30 Patienten war Tumorgewebe mittels OMFD-PET abgrenzbar. Ein Patient zeigte einen multifokalen Befall, so dass die primär kurative Therapieintention in ein palliatives Konzept geändert wurde. Alle im OMFD-PET abgrenzbaren Tumorregionen waren im konventionell erstellten PTV enthalten. Die mittleren Volumina betrugen 69,2 #±# 42,2ccm für das GTV-konv, 48,0 #±# 43,8ccm für das GTV-MRTprä, 16,8 #±# 15,5ccm für das GTV-MRTpost und 14,8 #±# 12,3ccm für GTV-OMFD. Der differentielle Vergleich der Volumina ergab, dass bei 5 von 29 Patienten mehr als 10 ccm der GTV-OMFD außerhalb des GTV-konv und bei 8 von 26 Patienten außerhalb des GTV-MRTpost lokalisiert waren. Bei 6 von 26 Patienten lagen mehr als 10ccm des GTV-MRTpost außerhalb des GTV-OMFD.

Die funktionelle Bildgebung von Hirntumoren mittels OMFD-PET detektiert relevantes Tumorgewebe außerhalb der im MRT detektierten Tumorregion und erbringt somit wichtige Informationen für die Abgrenzung des GTV für die Bestrahlungsplanung. Multimodale Strahlentherapieplanung beinhaltet das Potential die Hochdosisregion genauer abgrenzen und so möglicherweise die Ausdehnung des PTV begrenzen zu können.
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A71

Publ.-Id: 8419 - Permalink

Effects of oligosaccharide derivatives on the metabolism of tumor cells
Kampfrath, T.; Oswald, J.; Bergmann, R.; Schwenzer, B.;
This study investigates the effect of oligosaccharide derivatives on proliferation, metabolic activity and apoptosis of cultivated tumor cells. The effect of a complex oligosaccharide derivative of marine origin with anti-tumor activity has been compared with a defined trimeric oligosaccharide based on chitosan.

The human bladder carcinoma cell line EJ-28 was used as tumor model and compared to the human fibroblast cell line NHDF 6369. For quantification of the glucose metabolism [F-18]FDG-uptake was measured. The starting activity was 60 MBq in 10 ml culture medium. The cells were incubated for one hour. The incorporated activity was measured with a gamma counter. Further we studied the programmed cell death with flow cytometry. Early phase of apoptosis was detected by annexin staining and late phase by propidium iodide staining. The protein kinase inhibitor staurosporine was used as control substance in all experiments.

EJ-28 cells treated for 24 hours with oligosaccharide derivatives and chitosan trimers showed a decreased [F-18]FDG-uptake of about 50% in comparison to the untreated reference. On the other hand NHDF 6369 incubated by these agents showed an increased [F-18]FDG-uptake up to 150%. The protein kinase inhibitor staurosporine decreased the [F-18]FDG-uptake to 10% in both cell lines. Furthermore incubation for 24 hours increased the rate of apoptosis. Oligosaccharide derivatives and chitosan trimer were able to raise the rate of apoptosis in EJ-28 from 7% (6 h incubation) to 60% (24 h incubation). In NHDF 6369 cells the substances induced an increase of apoptosis rates from 15% (6 h) to 40% (24 h). Staurosporine increased the apoptosis rates from 20% (6h) to 65% in EJ-28 and 35% in NHDF 6369 (24h) in both cell lines, respectively.

Our data showed a reduced metabolic activity and increased apoptosis rates of cultivated tumor cells treated with oligosaccharide derivatives and chitosan derived trimers. The effects of chitosan trimers were comparable to the effects of the oligosaccharide derivatives of the marine nature material.
  • Poster
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Deutschland
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A87

Publ.-Id: 8418 - Permalink

In vitro Untersuchungen zur Stabilität von Er-169-Citrat-Kolloid
Bergmann, R.; Pinkert, J.;
Er-169-Citrat-Kolloid (ERMM-1) wird in der Radiosynoviorthese eingesetzt. Die Mechanismen der Retention, des Abstroms und besonders die des lokalen Metabolismus der Kolloide in vivo sind noch nicht komplett verstanden. Deshalb sollte in vitro, unter definierten Bedingungen, ihr Diffusionsverhalten in der Gleichgewichtsdialyse, das Rückschlüsse auf die Größenverteilung der Kolloide und ihre Stabilität zulässt, untersucht werden.

Geträgertes Er-169-Citrat-Kolloid (fertiges Arzneimittel) und Filtrat des Er-169-Citrat-Kolloid (0,22 µm-Filter), welches die nanokolloidale Fraktion (Durchmesser kleiner 100 nm) enthält, wurden in einem Gleichgewichtsdialysesystem mit Synovia, verschiedenen Elektrolyt- und Pufferlösungen dialysiert (cut off der Membran 10000 Dalton). Die Zeit/Aktivitätsverteilung in den Dialysekompartimenten wurde für die einzelnen Präparationen bis zum Erreichen des Gleichgewichts untersucht. Als Referenzpräparate wurden Tl-201-Chlorid, F-18-FDG und Er-169-Chlorid verwendet.

Das ionische Erbium-169-Chlorid (Negativkontrolle) diffundiert praktisch mit der gleichen Kinetik wie die niedermolekularen Referenztracer. Die kolloidalen Er-169-Citrat Fraktionen zeigen bei Inkubation mit einer dem Plasma vergleichbaren Elektrolytlösung (MEM-Medium nach Dulbecco), humaner Synovia oder phosphathaltigen Puffern eine weitgehend fehlende Dialysierbarkeit, weniger als 0,5% der eingesetzten Aktivität werden dabei im Dialysemedium gefunden. Im Gegensatz dazu kommt es bei Inkubation mit physiologischer Natriumchloridlösung zu einer deutlichen Freisetzung von dialysierbaren Erbium (ca. 62%).

Das Verhalten der Kolloidpräparationen wird in erster Linie durch die Anwesenheit von Phosphationen erklärbar. Auf Grund sehr geringer Löslichkeit von Erbiumphosphat wird bei Inkubation der nanokolloidalen Fraktion mit Synovia und phosphathaltigen Puffern eventuell vorhandenes bzw. sekundär gebildetes ionisches Erbium ausgefällt. Dies führt zur Bildung neuer, sekundärer Erbium-Phosphat-Kolloide bzw. zur Stabilisierung und Wachstum bereits vorhandener Erbium-Citrat-Kolloide. Dieser Mechanismus der Stabilisierung der Kolloide durch Phosphationen scheint hauptsächlich für die Fixierung der Er-169-Aktivität in den Gelenken verantwortlich sein bevor die Kolloide durch die Deckzellen der Synovialis phagozitiert werden.
  • Poster
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Deutschland
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A89

Publ.-Id: 8417 - Permalink

Experimentelle Hypoxie induziert eine erhöhte Radiotracer-Aufnahme in primären Endothelzellen in vitro
Oswald, J.; Haase, C.; Bergmann, R.;
Die Radiotracer-Aufnahme von hypoxischen Arealen in solidem Tumorgewebe ist ein wichtiger Parameter für die Visualisierung von Tumoren mit PET. Das Ziel des vorgestellten Projekts ist die Bewertung von Endothelzellen hinsichtlich ihrer Radiotraceraufnahme unter hypoxischen Bedingungen.

Verschiedene humane primäre Endothelzellen aus der Nabelschnurvene (HUVEC), der Aorta (HAEC) und der Haut (HDMEC) wurden neben etablierten Tumorzelllinien FaDu und HT-29 verwendet. Experimentelle Hypoxie wurde mit einem speziellen Inkubator (Gasboy, Labotect, Göttingen) erzeugt. Nach 24h Kultivierung unter hypoxischen Bedingungen wurde die Expression der Gene HIF-1#alpha# und VEGF mit PCR analysiert sowie die Aufnahme der Radiotracer [Tc-99m]Sestamibi und [F-18]FDG gemessen.

Unter experimenteller Hypoxie wurde eine verstärkte Expression von HIF-1#alpha# sowie VEGF gemessen. Die Aufnahme von [Tc-99m]Sestamibi, einem Marker für die Intaktheit der Atmungskette, war in allen Zelltypen unter hypoxischen Bedingungen verringert. Die [F-18]FDG Aufnahme unter hypoxischen Bedingungen war sowohl von den verwendeten primären Endothelzellen als auch von Tumorzellen deutlich erhöht.

Primäre Endothelzellen nehmen wie Tumorzellen in Gegenwart von experimentell erzeugter Hypoxie vermehrt den Radiotracer [F-18]FDG auf. In vaskularisierten soliden Tumoren tragen Endothelzellen somit zur Anreicherung von Radiotracern bei und haben einen Einfluss auf die nachfolgende Bildgebung mit PET.
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A79

Publ.-Id: 8416 - Permalink

Charakterisierung der Neurotensin-Rezeptoren als potentielles Target für die Tumordiagnose via Radiomarkierung
Haase, C.; Oswald, J.; Bergmann, R.; Pietzsch, J.;
Peptidrezeptoren sind auf Grund ihrer gesteigerten Expression im Tumorgewebe für das molekulare Imaging von großem Interesse. Das molekulare und biochemische Verständnis dieser Rezeptoren wird für die Entwicklung repräsentativer Liganden via Radiomarkierung für die Tumordiagnose und Therapie genutzt. Die Charakterisierung der Neurotensin- Rezeptor (NTR) Familie als wichtiges Target für die Tumordiagnose und Therapie ist Gegenstand dieser Arbeit.

In der vorliegenden Arbeit wurde die Expression der NTR in kultivierten HT-29 (humanes Adenokarzinom) und FaDu ( humanes Plattenepithelkarzinom) Zellen sowie in den entsprechenden xenogenen Tumortransplantaten untersucht. Die mRNA Genexpression wurde mittels real-time PCR mit spezifischen Primern für die drei Rezeptorsubtypen quantifiziert. Die Analyse der Rezeptor-Proteinexpression erfolgte mittels Autoradiographie mit Tritium markierten Neurotensin und immunhistochemisch mit spezifischen Antikörpern gegen NTR1, 2 und 3.

Die Quantifizierung auf mRNA Ebene ergab in den HT-29 und FaDu Zellen eine 3,5fach höhere Expression von NTR3 im Vergleich zu NTR1. Die Expression von NTR3 im Vergleich zu NTR2 war um den Faktor 2,5 erhöht. Die mRNA Rezeptorverteilung in den entsprechenden Tumortransplantaten verhielt sich für NTR3 ähnlich stark wie in den Zellen. Ebenfalls konnte in den Transplantaten eine gesteigerte Expression von NTR1 um das 2fache für die HT-29 Transplantate und das 1,4fache für die FaDu Transplantate beobachtet werden. Auf Proteinebene wurde ein starkes immunpositives Signal für NTR1 in den Zellen und Geweben detektiert. Rezeptorprotein für NTR3 konnte in unseren Untersuchungen nicht nachgewiesen werden.

Aufgrund der hohen Proteinexpression, scheint NTR1 für die Tumordiagnose ein geeignetes Target via Radiomarkierung zu sein. Überdies stellt NTR 1 als G-Protein gekoppelter Rezeptor eine wichtige Funktion bei der intrazellularen Signalübertragung dar und ist zudem ein interessantes Target für die Entwicklung therapeutisch wirksamer Medikamente.
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A83

Publ.-Id: 8415 - Permalink

Catabolism of hypochlorite-modified low density lipoprotein (LDL) in vivo: insights from small animal PET studies
Hoppmann, S.; Steiniger, B.; Haase, C.; Pietzsch, J.;
Oxidative modification of LDL apolipoprotein (apo) B-100 by myeloperoxidase-generated hypochlorite (HOCL) is regarded as a crucial event in atherogenesis. Recently, HOCl-modified LDL (OCl-LDL) have been shown to be present in human atherosclerotic lesions. On the other hand, data concerning the role of circulating OCl-LDL in the development of atherosclerosis are scarce. One reason for this is the shortage of methods for direct assessment of metabolism of oxidized LDL in vivo. We report an improved methodology for radiolabeling of both native LDL (nLDL) and OCl-LDL with the positron-emitter fluorine-18 (F-18) by N-succinimidyl-4-(F-18)fluorobenzoate (F-18-SFB) and the use of F-18-fluorobenzoylated LDL particles in dynamic PET studies in rats.

As a model, nLDL were modified in vitro by 3 mM NaOCl. For radiolabeling, pools of chemically and biochemically well characterized human nLDL and OCl-LDL were used. Module-assisted synthesis of F-18-SFB resulted in radiochemical yields of 36±2% (corrected for decay) and purites of >95%.

LDL labeling with F-18-SFB resulted in radiochemical yield of 30±10% (nLDL; corrected for decay) and 10±5% (OCl-LDL), respectively, with specific radioactivity of 50-400 GBq/µmol. Radiolabeling of native and modified LDL using F-18-SFB caused neither additional oxidative structural modifications of LDL lipids and proteins nor alteration of their biological activity and functionality in vitro, respectively. The method was further evaluated with respect to the uptake of F-18-fluorobenzoylated native and modified LDL, respectively, in various human cells. Biodistribution studies in rats revealed high in vivo stability for the fluorine-18-fluorobenzoylated LDL. The metabolic fate of F-18-fluorobenzoylated nLDL and OCl-LDL particles in vivo was delineated by dynamic PET studies using a dedicated small animal positron emission tomograph. Dynamic PET data demonstrated a significantly enhanced catabolism of OCl-LDL when compared with nLDL. The in vivo distribution and kinetics of both native and modified LDL correlated well with the anatomical localization of LDL receptors and scavenger receptors.

F-18-SFB-labeling of LDL and the use of small animal PET provide a valuable tool to discriminate the kinetics and the metabolic fate of both native and oxidized LDL in animal models in vivo.
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A22

Publ.-Id: 8414 - Permalink

Vergleich der Inter-Observer-Variabilität bei manueller und automatischer Volumenbestimmung in der PET
Pötzsch, C.; Hofheinz, F.; van den Hoff, J.;
In (1) und (2) wurden bereits Verfahren vorgestellt, welche halbautomatisch zur Eingrenzung, Analyse und quantitativen Auswertung dreidimensionaler Strukturen innerhalb von PET-Bildvolumen dienen. Die dort beschriebene Schwellwertanalyse mittels Schwellwert über Untergrund und der damit verbundenen Untergrundsubtraktion, führen bei Phantommessungen zu einer Unsicherheit der Volumenbestimmung von unter 20%.

Das Ziel dieser Arbeit war es, die Inter-Observer-Variabilität(IOV) des Verfahrens anhand klinischer Datensätze zu überprüfen und mit der manuellen Schwellwertanalyse, also der interaktiven Festlegung eines von Benutzern als optimal bewerteten Schwellwertes, zu vergleichen.

Es wurden PET-Volumendatensätze aus dem Bereich der onkologischen Leberdiagnostik und Phantommessungen ausgewertet. Die Studien enthielten eine verschiedene Anzahl von interessierenden Strukturen (VOIs), die dreimal auf unterschiedliche Weise abgegrenzt werden mussten. Im ersten Schritt sollte der Observer die VOIs mittels der manuellen Methodik abgrenzen, im zweiten Schritt sollte er jede VOI einzeln mittels der automatischen Methode aus (2) abgrenzen und im dritten Schritt sollte er alle gesuchten VOIs gleichzeitig mittels der Methode aus (2) bestimmen. Die Zahl der vorläufig untersuchten VOIs ist n=24 und damit die der Abgrenzungen n=168.

Bei den betrachteten Datensätzen lieferten die in (2) vorgestellten Methoden sehr stabile Ergebnisse. Im Gegensatz dazu schwankten die ermittelten Volumen bei der manuellen Schwellwertanalyse zwischen den einzelnen Observern sehr stark.

Die IOV bei manueller respektiv automatischer Volumenbestimmung konnte im Mittel von ca. 30% auf ca. 10% reduziert werden, wobei das mittlere Volumen vergleichbar mit den Werten der manuellen Bestimmung ist.

Der Vergleich zeigt, dass der Einsatz automatischer Verfahren die IOV im Vergleich zu manuellen Verfahren deutlich reduziert. Prospektiv erscheint die implizierte Möglichkeit zur Standardisierung der PET-unterstützten Zielvolumendefinition von potentieller Bedeutung für die Strahlentherapieplanung.

(1) C.Pötzsch; B. Beuthien; J. van den Hoff; Teilautomatisierte Segmentierung zur Quantifizierung von Metastasen bei der FDG-PET; Nuklearmedizin (2003) 42 p. A26

(2) C.Pötzsch; F. Hofheinz; J. van den Hoff; Minimierung der Inter-Observer-Variabilität bei volumetrischen Auswertungen von onkologischen Ganzkörperstudien in der PET; Nuklearmedizin (2005) 44 p. A16
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A42

Publ.-Id: 8413 - Permalink

Entwicklung von Methoden zur echtzeitfähigen Listmodeakquisition an ACS2-basierten PET-Scannern
Langner, J.; Pötzsch, C.; Will, E.; van den Hoff, J.;
PET-Systeme, die wie der weit verbreitete ECAT Exact HR+ das ACS2 Kontrollsystem nutzen, erlauben es auf Grund von Limitationen der ACS2 Hardware mit nur sehr geringen Raten auf die akquirierten Daten zuzugreifen. Bei den üblicherweise mehreren Gigabyte großen Listmodedaten behindert dies die routinemäßige Auswertung dieser Daten erheblich. In (1) wurden bereits Methoden vorgestellt, die dem entgegenwirken. Um jedoch Korrekturmethoden, wie z.B. eine listmode-basierte Bewegungskorrektur effektiv in die Routine zu überführen, bedarf es weiterer Entwicklungen. Unsere Studie soll daher überprüfen, inwieweit ein echtzeitnaher Zugriff auf Listmodedaten durch Analysen und Hardwareentwicklungen am ACS2 System erreicht werden kann.

Die Koinzidenzdaten einer PET-Akquisition werden innerhalb des ACS2 Systems über einen extern zugänglichen Datenbus geführt. Dieser aus 32 Datenleitungen bestehende Bus verbindet die verschiedenen Hauptkomponenten des ACS2 und überträgt den Listmodedatenstrom während einer Akquisition. Um einen externen Abgriff dieser Daten zu ermöglichen, ohne jedoch die Standardkomponenten des PET Scanners zu beeinflussen, wurde ein optoelektronisch getrennter Adapter entwickelt. Dieser wurde zusammen mit einem durch digitale Datenakquisitionskarten erweiterten Linux Rechner am ACS2 angeschlossen. Ferner wurde eine Software entwickelt, die die abgegriffenen Daten über eine Netzwerkverbindung für andere Rechner zur Verfügung stellt, aber auch eine unmittelbare Verarbeitung bzw. Sortierung der Listmodedaten in Sinogramme zulässt.

Die entwickelten Methoden erlauben es, auf die Rohdaten eines ACS2 basierten PET-Scanners in Echtzeit zuzugreifen. Zur Verifikation wurden verschiedene Testmessungen bis zur Zählratengrenze des PET-Scanners durchgeführt. Hierbei lag die Drop-out Rate von nicht registrierten Ereignissen unterhalb 0,1%.

Die vorgestellten Methoden erlauben es, mit relativ kostengünstigen Mitteln ACS2-basierte PET-Scanner für einen Echtzeitzugriff auf Listmodedaten umzurüsten. Mit der entwickelten Software ist es möglich, die akquirierten Listmodedaten zeitnah zu bearbeiten und unmittelbar nach der Akquisition für eine Auswertung vorzuhalten. Dies stellt einen wichtigen Fortschritt bei der konsequenten Anwendung von Listmode in der PET dar.

(1) Langner J. et al., Entwicklung von Methoden zum beschleunigten Zugriff auf Akquisitionsdaten ACS2-basierter PET-Scanner; Nuklearmedizin 2005; 44; p. A161
  • Lecture (Conference)
    44. Jahrestagung der Deutschen Gesellschaft für Nuklearmedizin, 05.-08.04.2006, Berlin, Germany
  • Abstract in refereed journal
    Nuklearmedizin 45(2006)2, A50

Publ.-Id: 8412 - Permalink

Novel investigations towards bispidine ligands
Juran, S.;
kein Abstract verfügbar
  • Lecture (Conference)
    3rd Supraphone Meeting, 04.-06.05.2006, Lissabon, Portugal

Publ.-Id: 8410 - Permalink

Anwendung von PET für die Kontrolle der Tumortherapie mit leichten Ionen
Fiedler, F.;
Ionenstrahlen erlauben bei der Radiotherapie von Tumoren auf Grund ihrer physikalischen und biologischen Eigenschaften ein höheres Maß an Präzision und Wirksamkeit als konventionell zur Bestrahlung eingesetzte Elektronen- oder Photonenstrahlen. Daher ist ein in-situ Monitoring der Dosisapplikation bei Ionenstrahlen wünschenswert. Gegenwärtig ist dafür nur die in-beam
Positronen-Emissionstomographie (PET) bekannt. Dabei werden zwischen Projektil und Gewebe stattfindende Kernreaktionen, die zur Erzeugung von Positronenemittern führen, genutzt um durch den Nachweis der emittierten g-Strahlung Aussagen zur Reichweite der Teilchen, zur Lage des bestrahlten Feldes und zu anatomischen Veränderungen gegenüber dem Zustand des Patienten zur Zeit der Planung der Bestrahlung zu treffen. In die experimentelle 12C Ionentherapieanlage an der Gesellschaft für Schwerionenforschung (GSI) Darmstadt wurde ein in-beam PET-Scanner integriert und diese Methode erstmals klinisch angewendet. An dieser Anlage wurden seit 1997 über 300 Patienten, vornehmlich mit strahlenresistenten Tumoren im Kopf-Hals Bereich behandelt. Diese Bestrahlungen wurden mit Hilfe von in-beam PET kontrolliert. Gegenwärtig gibt es Bemühungen, in-beam PET auch für andere Ionensorten als 12C nutzbar zu machen.
Keywords: in-beam PET, heavy ion tumor therapy
  • Invited lecture (Conferences)
    Seminar SF4, 25.04.2006, Berlin, Deutschland

Publ.-Id: 8409 - Permalink

Towards highly stable complexes of copper radionuclides with bispidines
Juran, S.; Kraus, W.; Steinbach, J.; Stephan, H.; Walther, M.;
Bispidines (bispidine = 3,7-diazabicyclo[3.3.1]-nonane) show interesting complexation behaviour towards transition metal ions. [1] The stabilities achieved for copper complexes with bispidines – lying in the same range as found for copper complexes of aza macrocycles – offer the possibility to apply such complexes for diagnostic and therapeutic purposes (64/67Cu).
We want to present the synthesis of novel hexadentate bispidine derivatives having pyridine and/or imidazole units as donor groups. Cu(II) complexes of some bispidines have been isolated and the structures were characterised by single-crystal X-ray diffraction analysis. Studies which have been performed to label selected bispidines with 64/67Cu indicate a rapid formation of stable complexes under mild conditions. Chemical approaches to introduce bio-molecules into the bispidine skeleton are discussed.
  • Poster
    1. European Chemistry Congress, 27.-31.08.2006, Budapest, Hungary
  • Contribution to proceedings
    1. European Chemistry Congress, 27.-31.08.2006, Budapest, Hungary, 362

Publ.-Id: 8408 - Permalink

Koordinationschemische Aspekte bei der Entwicklung neuer Chelatsysteme für nuklearmedizinische Anwendungen
Juran, S.;
kein Abstract verfügbar
  • Invited lecture (Conferences)
    Bundesanstalt für Materialforschung und -prüfung, 21.04.2006, Berlin, Germany

Publ.-Id: 8407 - Permalink

In-situ X-Ray Diffraction of GaSb Nanopatterned by Normal Incidence Sputter Erosion
Keller, A.; Facsko, S.; Plantevin, O.; Carbone, D.; Metzger, T. H.; Gago, R.;
Low energy ion erosion of surfaces can lead to the formation of self-organized structures in the range from 10 to 100 nm [1]. Periodic ripple patterns and hexagonally ordered dot arrays can be achieved for oblique and normal incidence, respectively. The evolution of ripple structures on different materials has been studied extensively during the last decades whereas the formation of dots has been discovered only recently [2] and is not fully understood yet.
In the presented work, the evolution of GaSb(001) surface morphology under normal incidence sputtering has been studied in-situ by surface sensitive X-ray techniques. The Grazing Incidence Small Angle X-ray Scattering (GISAXS) and Grazing Incidence Diffraction (GID) measurements have been performed at the beam line ID01 at the ESRF. These techniques were used to study the evolution of the dots for ion energies from 100 to 1000 eV. With GISAXS the morphology and the correlation of the dots is analysed, while in GID information about the crystalline structure (i.e. strain) is added. This way, three regimes are observed and identified as smoothing, pattern formation and increase of lateral order.

[1] M. Navez, D. Chaperot and C. Sella, C. R. Acad. Sci. 254 (1962), 240
[2] S. Facsko et al., Science 285 (1999), 1551
  • Lecture (Conference)
    DPG Frühjahrstagung 2006, 26.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8406 - Permalink

Master Curve approach for embrittled reactor pressure vessel steels
Zurbuchen, C.; Viehrig, H.-W.;
The structural integrity of the reactor pressure vessel (RPV) has to be maintained throughout the operation time of a nuclear power plant (NPP). The fracture toughness of the RPV steel has to be higher than the stress intensity at the crack tip. The present regulatory-based correlative approaches for the determination of fracture toughness of RPV steels are not consistent because they link technological parameters (RTNDT, Charpy-V) and universal fracture toughness lower bound curves. Safety margins as well as probability estimations cannot be quantified. In contrast, a new “Master Curve” (MC) method enables the direct measurement of the fracture toughness with less uncertainty. The MC approach is based on Weibull statistics and models the cleavage failure of a specimen in the lower ductile-to-brittle transition region.
To maximize the Master Curve’s benefits, it should be incorporated in regulatory evaluation or integrity assessment as a long term objective. Before the Master Curve approach can be implemented in codes and regulations, open issues such as influence of irradiation, loading rate effects, loss of constraint, as well as the effects of inhomogeneous material need resolving.
The Research Centre Rossendorf is currently investigating the invariability of the MC shape for “extreme” irradiation, the applicability in case of partial intergranular fracture, annealing effects, and the correlation of MC and Charpy results. Latest results will be presented.
Keywords: Master Curve irradiation cleavage failure intergranular fracture
  • Poster
    JUNIOR EUROMAT 2006, 04.-08.09.2006, Lausanne, Schweiz

Publ.-Id: 8405 - Permalink

Magnetic nanoparticle formation in Fe implanted ZnO
Zhou, S.; Potzger, K.; Mücklich, A.; Reuther, H.; Eichhorn, F.; Schell, N.; Skorupa, W.; Helm, M.; Fassbender, J.ORC
Low temperature doping with transition metals is currently accepted as the “silver bullet” for the creation of diluted magnetic semiconductors (DMS). Among them, ion implantation offers the possibility for doping at almost any temperature. However, tiny, hardly detectable ferromagnetic nanoparticles created due to phase separation already during implantation can wrongly give the impression of a DMS by means of a pronounced integral magnetization. In this work we would like to present systematic investigations on the formation of ferromagnetic nanoparticles due to 57Fe implantation into ZnO single crystals applying several sensitive analysis techniques. At an implantation temperature of 623 K and implantation energy of 180 keV, a distinct dependence of the nanoparticle formation on the Fe ion fluence was observed. Below a fluence of 2x1016 cm-2, all Fe is found in nonmagnetic charged states indicating no -Fe-nanoparticle formation as was confirmed using X-ray diffraction. From a fluence of 2x1016 cm-2, superparamagnetic -Fe-nanoparticles are present. They were evidenced by zero-field cooled (ZFC) and field cooled (FC) magnetization curves, x-ray diffraction and transmission electron microscopy. The superparamagnetic blocking temperatures increase with the implanted fluence. An annealing at 823 K for 15 min enhanced the Fe particle formation, but Fe nanoparticles were oxidized after an annealing at 1073 K for 15 min. A further annealing at 1073 K for 3.5 h induced the formed of ZnFe2O4. In a conclusion, we definitely rule out the formation of a diluted magnetic semiconductor in Fe-implanted ZnO at process temperature above 623 K.
Keywords: II-VI semiconductors, magnetic semiconductors, nanostructured materials, superparamagnetism
  • Poster
    E-MRS IUMRS ICEM 2006 Spring Meeting, 29.05.-02.06.2006, Nice, France

Publ.-Id: 8403 - Permalink

Crystalline Ni nanoparticles as the origin of ferromagnetism in Ni implanted ZnO crystals
Zhou, S.; Potzger, K.; Zhang, G.; Eichhorn, F.; Skorupa, W.; Helm, M.; Fassbender, J.ORC
We report the structural and magnetic properties of ZnO single crystals implanted at 623 K with up to 10 at. % of Ni. As revealed by X-ray diffraction, crystalline fcc-Ni nanoparticles were formed inside ZnO. The magnetic behavior (magnetization with field reversal and with different temperature protocol) of all samples is well explained by a magnetic Ni-nanoparticle system. Although the formation of Ni:ZnO based diluted magnetic semiconductor cannot be ruled out, the major contribution to the magnetic properties stems from crystalline nanoparticles synthesized under these implantation conditions.
Keywords: II-VI semiconductors, magnetic semiconductors, nanostructured materials, superparamagnetism

Publ.-Id: 8402 - Permalink

Jahresbericht 2005
Bohnet, C.; (Editor)
  • Open Access LogoWissenschaftlich-Technische Berichte / Forschungszentrum Rossendorf; FZR-451 2006


Publ.-Id: 8401 - Permalink

Bubble-wall interactions in a vertical gas-liquid flow: bouncing, sliding and bubble deformations
Zaruba, A.; Lucas, D.; Prasser, H.-M.; Höhne, T.;
The paper presents results of a study on the motion of bubbles rising in upward shear liquid flow in the vicinity of a vertical wall. Bubbles were found to slide along the wall, when their diameter is small. Bubbles could also experience multiple collisions with the wall at certain experimental parameters (geometry of a channel, range of superficial liquid velocity, bubble size, etc). The latter was theoretically predicted by solving the equation of the bubble motion for the lateral direction in the boundary layer of the channel. For this, the available in the literature constitutive models for the interfacial forces acting on a bubble in the vicinity of the wall were used. A simplified 1D model predicting bubble lateral displacement near the wall and taking into account the balance of drag and non-drag forces acting on a bubble was proposed. The numerical results were verified against the experimental ones obtained by non-intrusive high-speed video observations and subsequent image processing.
The experiments on the bubble motion were conducted in a vertical acrylic duct having a square cross-section of 25 cm2 and a height of approximately 1.3 m. Desalinated water and air both taken at the room temperature were used in the experiments. All measurements on the bubble motion were performed at channel heights between 0.8 and 1 m above the gas injection point.
Keywords: Bubbles, bouncing motion, shear liquid flow, interfacial forces, turbulent boundary layer
  • Chemical Engineering Science 62(2007), 1591-1605

Publ.-Id: 8400 - Permalink

Relaxation of slow highly charged ions penetrating a solid surface - energy deposition and reemission
Kost, D.; Facsko, S.;
Highly charged ions carry a large amount of potential energy, which is defined as the sum of the binding energies of all removed electrons. In the case of low velocities of the ions this energy can exceed their kinetic energy.
Approaching the solid surface the ions are neutralized, relaxe to the ground state, and their potential energy is released. Thereby different mechanisms, such as surface sputtering, secondary ion emission, secondary electron emisson and X-ray emission take place [1]. The secondary particles leaving the surface carry only up to 10% of the potential energy.
Using a calorimetric setup [2] we measured the amount of the potential energy which remains in the solid to 85% +/- 10%.
To study the detailed mechanism of the energy retention materials with different electronic structures were investigated: Cu, n-Si, p-Si, SiO2.
We can conclude, that the difference in energy depositon between these materials is below 10%.
The calorimetric results are rounded off with results from energy reemission measurements using electron spectroscopy.
The value of the reemitted energy increases with increasing charge state up to 10%.
[1] A. Arnau Surf. Sci. Rep.27, 113 (1997).
[2] U. Kentsch Phys. Rev. Lett.87, 10 (2001).
  • Lecture (Conference)
    AKF-Frühjahrstagung 2006 in conjunction with 21st General Conference of the EPS Condensed Matter Division, 27.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8398 - Permalink

Die Zweiquellenanlage des Forschungszentrum Rossendorf - Neue Möglichkeiten für Experimente mit hochgeladenen Ionen
Kost, D.; Facsko, S.; Heller, R.; Schlenk, R.; Wustmann, B.; Zschornack, G.;
Die Rossendorfer Zweiquellenionenstrahlanlage stellt eine weltweit einmalige Kombination aus einer Elektron-Zyklotron-Resonanz-Ionenquelle mit einer bei Raumtemperatur arbeitenden Elektronenstrahl-Ionenquelle, der Dresden EBIT, dar. Die Ionenstrahlen beider Quellen münden in eine gemeinsame Targetkammer und stehen dort für Experimente zur Verfügung. Die erreichbaren Ladungszustände, die Ionenströme sowie die Energien der Ionen aus beiden Quellen unterscheiden sich aufgrund der verschiedenen Wirkungsprinzipien und gewährleisten so ein breites Spektrum an Experimenten. Die Gesamtanlage kann gegenüber der Targetkammer auf ein negatives Potential gebracht werden, wodurch sich die Ionen beider Quellen bis auf Energien unter q*100V abbremsen lassen. Die Untersuchung der Wechselwirkung langsamer hochgeladener Ionen mit Festkörperoberflächen, insbesondere der Einfluss der Potentialenergie der Ionen, ist neben der Ionenquellendiagnostik Gegenstand aktueller Forschungen an der Rossendorfer Zweiquellenanlage.
  • Lecture (Conference)
    Energiereiche Atomare Stöße, 06.-10.02.2006, Riezlern, Östereich

Publ.-Id: 8397 - Permalink

Potential Energy Retention of Slow Highly Charged Ar-Ions in Chemical Clean Silicon Surfaces
Kost, D.; Facsko, S.; Tyrroff, H.; Zschornack, G.; Möller, W.;
Highly charged ions (HCI) carry a large amount of potential energy, which is defined as the sum of the binding energies of all electrons that are removed from the atom. In the case of low velocities of the ions this energy is equal or can exceed the kinetic energy of the ions. Retaining such a large energy in a very small surface area of typically about 1-10nm^2 and in a very short interaction time of typically 5-10fs an enormous power flux of 10^13 W/cm^2 is given. In respect of this, high yields of photons and electrons have been observed, which carry away a fraction of the potential energy. Some experiments give a quantitative estimation of an energy reemission coefficent in the order of only 10%. In our experiment we determine the fraction of the retained potential energy of the ions by a calorimetric measurement.

For improved calorimetric measurements of the retention of the potential energy of highly charged ions a UHV device with a base pressure of p<10^-9mbar was constructed and connected to the 7.5 GHz ECR ion source at the Forschungszentrum Rossendorf. The ECR ion source is equipped with a sector field magnetic separation and a beam deceleration system. The ions are accelerated with a voltage of 5 kV and after beam transport decelerated to final kinetic energies down to 60eVxq.

By using a calorimetric setup the increase of the target temperature is measured during the irradiation with argon ions.
The retained energy of Ar q+ (q= 1 up to 9) ions into the Si(100) surface is determined at kinetic energies between 60 eVxq and 200 eVxq. By extrapolation to zero kinetic energy the retained fraction of the potential energy is obtained.

For absolute calorimetric measurements a small resistive heater is used for the calibration of the calorimetric setup. Using the resistive heater a function between the temperature increase and the deposited electrical power of the heater is obtained. Assuming that the electrical power is equivalent to the retained power of the incident ions the retained power of the ions can obtained from the temperature increase.

By sputtering with Ar+ the silicon surface is cleaned before the measurement. The chemical state of the target surface is controlled by AES using LEED
optics. Once being clean there are no other Auger electron signals in spite of silicon signals detectable over a time of 7 hours.

The obtained retained potential energy of the different charge states of the argon ions is related to the total potential energy. The potential energy retention coefficient results as 0.7 +/- 0.2 and decreases weakly with increasing charge state. This values are compared with earlier measurements [1] on a copper surface. The potential energy retention coefficient for silicon is about three times larger than the results with the copper surface.

[1] U. Kentsch, H. Tyrroff, G. Zschornack, and W. Möller, Retention of the potential energy of multiply charged argon ions incident on copper, Phys. Rev. Lett. 87(10), 4273 (2001).
  • Poster
    International Conference on Photonic, Electronic and Atomic Collisions, 23.-29.07.2003, Stockholm, Schweden

Publ.-Id: 8395 - Permalink

Excursions into reversals
Stefani, F.; Gerbeth, G.; Günther, U.; Xu, M.;
Despite the recent success of fully coupled three-dimensional numerical models of the geodynamo, the very nature of field reversals is still a matter of controversy. A mean-field dynamo model with a spherically symmetric helical turbulence parameter alpha serves us as a sort of minimum dynamo model that exhibits a number of typical reversal features. These include the asymmetry of reversals, the correlation between field strength and interval length, the existence of an inhibition time, and the bimodal field distribution. We identify the existence of a branch point of the spectrum of the non-selfadjoint dynamo operator as the essential ingredient for reversals to happen (Phys. Rev. Lett. 94 (2005), 184506). We present some evidences for a self-tuning mechanism of highly supercritical dynamos that tend to saturate into a reversal-prone state by driving the branch point and its nearby local maximum of the growth rate towards the zero line (Earth Planet. Sci. Lett. 143 (2006), 828-840). The high supercriticality can also explain the typical time-scales of asymmetric reversals (, without taking resort to a turbulent resistivity. The role of the inner core to increase the ratio of excursions to reversals is discussed in the framework of resonant appearance of branch points in dependence on the wavelength of the dynamo source (
  • Poster
    10th Symposium of SEDI, 09.-14.07.2006, Prague, Czech Republic

Publ.-Id: 8394 - Permalink

Influence of colloids on uranium transport in nuclear waste repositories and abandoned uranium mines – a critical comparison
Zänker, H.; Ulrich, K.-U.; Opel, K.; Brendler, V.;
It is widely recognized that colloids can influence the migration of toxic and radiotoxic elements such as uranium. There are transport-facilitating and transport-impeding effects caused by colloids.
The most common scenario assumed in performance assessment for nuclear waste repositories is contaminant transport through anoxic aquifers. Only transport-facilitating effects of colloids are usually taken into consideration for this case. For abandoned uranium mines, retarding influences of colloids, apart from mobilizing ones, are also of high interest since they have the potential of causing “natural attenuation” of the environmental hazard.
The formation of colloids containing U(IV) and U(VI) was studied by laboratory experiments and by comparing the results with field experience. It is shown that there may be transport-stimulating effects of colloids on the “immobile” contaminant U(IV) and transport-impeding effects on the “mobile” contaminant U(VI).
A key factor in assessing the impact of colloids in a geochemical setting is the timescale that needs to be taken into account. Very long periods of time must be considered for nuclear waste repositories. Here, the point in time at which a certain colloid-borne contaminant such as uranium reaches the biosphere depends on the moment at which spent fuel container leakage begins, the water flow velocity, the concentration and mobility of potential carrier colloids, the hindrance of colloidal transport by barrier materials, and the persistence (reversibility vs. irreversibility) of the binding of the contaminant onto the colloids. In the case of mines, the phase critical for the environment occurs when the flood water reaches the level where first connections to unprotected surface waters or underground drinking water resources occur. This phase is characterized by the „first flush“ of the mine; the maximum release rate of contaminants such as U from the mine to the environment can be reduced by colloids via the flattening of the release rate profile. Whereas the timescale of critical contaminant release is in the range of centuries for the nuclear waste repositories, it lies in the range of only few years for abandoned uranium mines.
It is primarily the different dynamics of the processes behind these two different timescales that causes the different role of colloids for uranium migration in nuclear waste repositories and in abandoned uranium mines.
Keywords: nuclear waste repositories, abandoned uranium mines, uranium, colloids
  • Lecture (Conference)
    16th Goldschmidt Conference 2006, 27.08.-01.09.2006, Melbourne, Australia
  • Abstract in refereed journal
    Geochimica et Cosmochimica Acta 70(2006)18, A731
    DOI: doi:10.1016/j.gca.2006.06.1314

Publ.-Id: 8393 - Permalink

Calculation of the VVER-1000 Coolant Transient Benchmark using the Coupled Code Systems DYN3D/RELAP5 and DYN3D/ATHLET
Kozmenkov, Y.; Kliem, S.; Grundmann, U.; Rohde, U.; Weiss, F.-P.;
Plant-measured data provided by the OECD/NEA VVER-1000 coolant transient benchmark programme were used to validate the DYN3D/RELAP5 and DYN3D/ATHLET coupled code systems. Phase 1 of the benchmark (V1000CT-1) refers to an experiment that was conducted during the commissioning of the Kozloduy NPP Unit 6 in Bulgaria. In this experiment, the fourth main coolant pump was switched on whilst the remaining three were running normal operating conditions. The experiment was conducted at 27.5 % of the nominal level of the reactor power. The transient is characterized by a rapid increase in the primary coolant flow through the core, and as a consequence, a decrease of the space-dependent core inlet temperature. The control rods were kept in their original positions during the entire transient. The coupled simulations performed on both DYN3D/RELAP5 and DYN3D/ATHLET were based on the same reactor model, including identical main coolant pump characteristics, boundary conditions, benchmark-specified nuclear data library and nearly identical nodalization schemes. In addition to validation of the coupled code systems against measured data, a code-to-code comparison between simulation results has also been performed to evaluate the respective thermal hydraulic models of the system codes RELAP5 and ATHLET.
Keywords: Coupled code systems, 3D neutron kinetics, code validation, code-to-code comparison, VVER-1000 model, coolant transient benchmark, main coolant pump

Publ.-Id: 8392 - Permalink

Atomic-level simulations of ion implantation, defect formation and defect migration
Posselt, M.;
for further information, please contact the author
Keywords: ion implantation, defect formation, defect migration, atomic-level simulations
  • Invited lecture (Conferences)
    Seminar, 05.04.2006, Zürich, Switzerland

Publ.-Id: 8391 - Permalink

Interaction of Cu(II) with dendritic ligands studied by TRLFS
Geipel, G.;
  • Lecture (Conference)
    Supraphone Meeting 2006, 04.-06.05.2006, Lissabon, Portugal

Publ.-Id: 8390 - Permalink

Comparison of in vitro and in vivo properties of 99mTc-RGD peptides for targeting tumour angiogenesis labelled using different novel technetium-cores
Decristoforo, C.; Rey, A.; Künstler, U.; Pietzsch, H.-J.; Galamba, J.; Santos, I.; Smith, J.; Faintuch, B.; Hernandez-Gonzales, I.; Rupprich, M.; Alberto, R.; Haubner, R.;
1. Introduction
Integrins are cell surface transmembrane glycoproteins that are found as αβ heterodimers. The αvβ3 integrin is known to be over-expressed in many tumour types and sprouting blood vessels in the tumour, but expressed at lower levels in normal tissues. Peptides containing the Arg-Gly-Asp (RGD) sequence, bind with high affinity to αvβ3 and have found increasing interest for radiolabelling to target v3 receptors and for imaging angiogenesis. Recently, it was demonstrated using [18F]Galacto-RGD and PET that monitoring of αvβ3 is possible in animal models as well as in humans (1). Recent advances in organometallic chemistry enable 99mTc-labelling of biomolecules with high specific activity and high stability. The aim of this study was to use a cyclic RGD derivative, c(RGDyK), containing a Lys residue for derivatisation with different moieties for labelling with 99mTc using novel technetium-cores, such as HYNIC, Tc(CO)3, and Tc(4+1) approaches and to compare chemical and biological properties in vitro and in vivo.

2. Materials & Methods:
c(RGDyK) (RGD) was derivatised with HYNIC (1), Cys (2), 3, 5–Me2 –pyrazol-1-yl-ethyldiamine –RGD (PZ1, 3) and an isonitrile moiety (L3, 4) at the terminal lysine group of c(RGDyK) using standard fmoc chemistry (examples see Fig1). 99mTc-labelling was performed using both Tricine as well as EDDA as coligands for HYNIC-RGD, [99mTc(CO)3(H2O)3]+ was used for labelling Cys-, PZ1 and HYNIC-RGD and Aminotrithiols as coligangds for L3-RGD at high specific activities. Radiolabelled peptides were characterised concerning lipophilicity (octanol/PBS coefficient, RP-HPLC), protein binding using SEC, stability in buffer, serum and tissue homogenates and tested for stability in PBS, Cystein and Histidine solutions, tissue homogenates and serum up to 6 h. Integrin receptor activity was determined in internalisation assays using v3 receptor positive M21 and negative M21-L melanoma cells. Biodistribution and in vivo tumour uptake was evaluated in nude mice carrying M21 and M21-L tumours for selected compounds.

3. Results
All peptides could be labelled at high specific activities and revealed high stability in various solvents. Both lipophilicity as determined by HPLC retention times and log P values (-0.92 to -3.57) and binding to serum proteins (2-32%) varied considerably All 99mTc-labelled peptides showed specific uptake in αvβ3 positive cells with comparable values for all compounds around 1% of total/mg protein except for 99mTc-L1 and L3-RGD with lower values of less than 0.5%. In a mouse tumour model great variations in pharmacokinetic behaviour was found ranging from predominant renal excretion up to predominant hepatobiliar eliminiation. Highest specific values of tumour uptake were found for 99mTc-EDDA/HYNIC-RGD and 99mTc(CO)3-PZ1-RGD (see Fig. 2) with about 2.5% uptake in M21 receptor positive tumours and <1% in receptor negative M21-L tumours with lower intestinal uptake of 99mTc-EDDA/HYNIC-RGD.

4. Discussion/Conclusion
Our study provides for the first time data on chemical and biological characterisation of the same peptide labelled with 99mTc using different technetium-cores. It shows the decisive influence of labelling approaches on imaging properties of 99mTc-labelled peptides and the necessity to use different in vitro assays to predict targeting properties in vivo.

5. References:
(1) Haubner R, Weber WA, Beer AJ, Vabuliene E, Reim D, Sarbia M, Becker KF, Goebel M, Hein R, Wester HJ, Kessler H, Schwaiger M. [2005] PLoS Medicine. 2(3):e70.

6. Acknowledgements:
This work is part of the CRP “Development of Tc-99m based small bio-molecules using novel 99mTc cores” of the IAEA
  • Lecture (Conference)
    European Symposium on Radiopharmacy and Radiopharmaceuticals - ESRR 06, 30.03.-02.04.2006, Lucca, Italy
  • Abstract in refereed journal
    Quarterly Journal of Nuclear Medicine and Molecular Imaging 50(2006)Suppl. 1, 19

Publ.-Id: 8389 - Permalink

Towards Tc(III)- and Re(III)-labelled peptides with tunable lipophilicity
Gniazdowska, E.; Künstler, J.-U.; Stephan, H.; Pietzsch, H.-J.;
1 Introduction
Organometallic Tc and Re (III) compounds in terms of so called “4+1” complexes enable high specific labelling of biomolecules, e.g., peptides under mild conditions and exhibit high complex stability [1, 2]. However, 99mTc-labelled peptides containing a “4+1” complex as in 99mTc(NS3)(CN-GGY) (Fig. 1) showed a high liver uptake [1]. To improve the biobehavior of such compounds a new hydrophilic “4+1” complex bearing three carboxyl groups was introduced and evaluated coupled to a model peptide.

2 Results
The carboxyl-groups bearing ligand NS3(COOH)3 was synthesized by conjugation (DCC) of the dendritically functionalized amine H2N-C(-CH2-O-CH2-CH2-COO-Me)3 [3] to the S-benzyl protected NS3COOH [1] followed by deprotection.
The isocyanide group was coupled to the model peptide Gly-Gly-Tyr via an aliphatic linker (CN-BFCA). For 99mTc-labelling a two-step procedure [1] was applied using 99mTc-EDTA/mannitol (400 MBq) which was reacted with 20 µg isocyanide-modified peptide and 300 µg NS3(COOH)3. 99mTc-labelling resulted in a radiochemical yield of app. 25 % (HPLC), Fig. 2. The yield can be increased by using a higher peptide amount. 99mTc(NS3(COOH)3)(CN-GGY) showed a high in vitro stability (> 90 % in PBS after 24 h).
To verify the identity of the 99mTc-labelled peptide, the analogous "4+1" Re compound Re(NS3(COOH)3)(CN-GGY) was synthesized (Fig. 1).

For a convenient synthesis of peptides containing the new hydrophilic Re “4+1” complex, the active ester Re(NS3(COOMe)3)(CN-BFCA) as shown in Fig. 1 was prepared starting from NS3(COOH)3, [Re(tu-S)6]Cl3 and PMe2Ph followed by ligand exchange with CN-BFCA. Reaction of Re(NS3(COOMe)3)(CN-BFCA) with the peptide and hydrolysis of the methyl ester gave the desired peptide derivative.
The increased hydrophilicity of the new “4+1” complex was shown by HPLC investigations (Fig. 2) and determination of the partition coefficient (logD, octanol/PBS, pH 7.4).
99mTc(NS3(COOH)3)(CN-GGY) showed a logD value of -2.6 ± 0.3 (n = 3) compared with the logD value of -1.5 ± 0.2, 99mTc(NS3)(CN-GGY).

3 Conclusion
A new hydrophilic “4+1” complex characterized by a dendritically modified tetradentate ligand was synthesized and has been introduced for peptide labelling. Increasing generation of dendritic branches will be grafted on the chelating unit in order to tune the lipophilicity. As a next step peptides bearing the new modified “4+1” compound have to be evaluated in animal experiments.

4 References
[1] Seifert S., Künstler J.-U., Schiller E., Pietzsch H.-J., Pawelke B., Bergmann R. and Spies H. [2004] Bioconjugate Chem. 15: 856-863.
[2] Schiller E., Seifert S., Tisato F., Refosco F., Kraus W., Spies H. and Pietzsch H.-J. [2005] Bioconjugate Chem. 16: 634-643.
[3] Newkome G. R., Lin X. and Young J. K. [1992] Synlett 1: 53-54.

5 Acknowledgements
The work was performed in the framework of the project “Chemical Studies for Design and Production of New Radiopharmaceuticals” (No MTKD-CT-2004-509224 (POL-RAD-PHARM)) supported by the European Community within the 6th Framework Programme Marie Curie: Host Fellowships for Transfer of Knowledge.
  • Poster
    European Symposium on Radiopharmacy and Radiopharmaceuticals - ESRR 06, 30.03.-02.04.2006, Lucca, Italy
  • Abstract in refereed journal
    Quarterly Journal of Nuclear Medicine and Molecular Imaging 51(2007)1, 92

Publ.-Id: 8387 - Permalink

Zerstörungsfreie, quantitative Wasserstoff-Analytik mittels Ionenstrahlen
Grambole, D.;
In der Einleitung wird das Rossendorfer Ionenstrahllabor mit allen zur Verfügung stehenden ionenstrahl-analytischen Methoden zur Elementanalyse im oberflächennahen Bereich von Festkörpern kurz vorgestellt.
Die physikalischen Grundlagen zur Wasserstoffanalytik mittels resonanter Kernreaktion (RNRA) und elastischer Rückstoßstreuung (ERDA) werden erläutert. Es werden die notwendigen Voraussetzungen zur Berechnung der H-Konzentration und – tiefenprofile diskutiert. Die folgenden Anwendungsbeispiele sollen die Leistungsfähigkeit und Grenzen beider Methoden verdeutlichen. So wird die H-Konzentration in SiO2 – Schichten untersucht, die durch nasschemische Oxidation von Si erzeugt wurden. Hierbei wird darauf hingewiesen, wie wichtig die Kontrolle eines eventuellen H-Verlustes während der Analyse ist, um Fehlmessungen auszuschließen. Die mit RNRA erreichte Tiefenauflösung von 1 nm macht die Untersuchung der H-Verteilung in ca. 10 nm dünnen ZrO2– und Al2O3-Schichten möglich. Es wird über den Versuch berichtet, H-Monolagen zu untersuchen.
ERDA am Mikrostrahl (micro ERDA) machte erstmalig die Messung von dreidimensionalen H-Verteilungen möglich, die in H-implantierten Ti-Blechen mit und ohne Biegespannung untersucht wurde.
  • Lecture (others)
    Seminar, 04.04.2006, Karlsruhe, Deutschland

Publ.-Id: 8386 - Permalink

Extraction Methods
Stephan, H.; Juran, S.; Antonioli, B.; Gloe, K.; Gloe, K.;
Molecular recognition, binding and transport of different chemical species represents an aspect of supramolecular chemistry that has relevance to a number of areas that include biochemical processes, analytical techniques, recycling and environmental processes as well as aspects of catalysis and medicine. Over the years a large number of both efficient and selective receptors for cations, anions, salts and zwitterions based on different architectures and binding modes have been developed and studied. Among the manifold experimental techniques employed for the application of such receptors has been the investigation of the distribution of species between two immiscible solutions, normally an aqueous and an organic phase, under the influence of the receptor in the organic phase. Such a procedure has often allowed characterization of the receptor’s complexation behaviour towards individual species as well as enabling an evaluation of its suitability for species monitoring, separation and/or concentration; especially with respect to possible analytical applications as well as for use in extraction and membrane transport processes.
  • Contribution to external collection
    C. Schalley: Analytical Methods in Supramolecular Chemistry, Weinheim: Wiley-VCH, 2007, 978-3-527-31505-5, 79-103

Publ.-Id: 8385 - Permalink

Strukturelle Charakterisierung neuer Bispidinderivate und iher Kupfer(II)-Komplexe
Kraus, W.; Juran, S.; Emmerling, F.; Stephan, H.;
Radioaktive Kupfer(II)-Komplexe weisen ein hohes inhärentes Anwendungspotential für radiopharmazeutische Anwendungen in Diagnostik und Therapie auf. In diesem Zusammenhang zeigen sechszähnige Derivate des Bispidins (3,7-Diazabicyclo[3.3.1]nonan) aussichtsreiche Eigenschaften. Sie bilden insbesondere mit Kupfer(II) Komplexe hoher Stabilität. Um eine selektive Anreicherung der radioaktiven Kupferkomplexe im Zielgewebe zu erzielen, ist es notwendig, Biomoleküle an das Ligandgrundgerüst anzukoppeln.
  • Poster
    14. Jahrestagung der Deutschen Gesellschaft für Kristallographie 2006, 03.-06.04.2006, Freiburg, Deutschland
  • Abstract in refereed journal
    Zeitschrift für Kristallographie 24(2006)Suppl., 105

Publ.-Id: 8384 - Permalink

Carbon-11 Labelling Chemistry Based upon [11C]Methyl Iodide
Wüst, F.; Berndt, M.; Knieß, T.;
Radiochemistry with the short-lived positron emitter carbon-11 (t1/2 = 20.38 min) represents special challenges in terms of synthesis time and the labelling techniques. The recent developments in carbon-11 radiochemistry have steadily expanded the number of carbon-11 labelled compounds. The review wants to address selected chemical and technical aspects of carbon-11 chemistry based on the readily available labelling precursors [11C]methyl iodide and, to some lower extent, [11C]methyl triflate. Special emphasis is attributed to heteroatom methylation reactions and 11C-C bond formations.
  • Contribution to external collection
    P.A. Schubiger, L. Lehmann, M. Friebe: E.Schering Research Foundation Workshop,Vol. 62,PET Chemistry,The Driving Force in Molecular Imaging, Berlin, Heidelberg: Springer Verlag, 2006, 10-3-540 326 23-5, 183-213

Publ.-Id: 8383 - Permalink

On Krein space related perturbation theory for MHD α²-dynamos
Kirillov, O.; Günther, U.;
The spectrum of the spherically symmetric α²-dynamo is studied in the case of idealized boundary conditions. Starting from the exact analytical solutions of models with constant α-profiles a perturbation theory and a Galerkin technique are developed in a Krein-space approach. With the help of these tools a very pronounced α-resonance pattern is found in the deformations of the spectral mesh as well as in the unfolding of the diabolical points located at the nodes of this mesh. Non-oscillatory as well as oscillatory dynamo regimes are obtained. An estimation technique is developed for obtaining the critical α-profiles at which the eigenvalues enter the right spectral half-plane with non-vanishing imaginary components (at which overcritical oscillatory dynamo regimes form).
Keywords: Krein space, MHD dynamo, diabolical point, spectral deformation, perturbation theory, resonance, Galerkin method, spectral phase transition

Publ.-Id: 8382 - Permalink

Spectroscopic ellipsometry of ZnO thin films grown by pulsed reactive magnetron sputtering at elevated temperatures
Vinnichenko, M.; Rogozin, A.; Shevchenko, N.; Ozerov, M.; Kolitsch, A.; Möller, W.; (Editors)
Understanding of the growth process of undoped ZnO thin films is important for optoelectronic applications of the material. In this study, ZnO layers were deposited at single crystalline Al2O3 (0001) substrates by pulsed reactive magnetron sputtering. Oxygen partial pressure, base pressure and the substrate temperature (Ts) were varied systematically. The films were characterized by spectroscopic ellipsometry (SE), Seebeck effect measurements and X-ray diffraction (XRD). SE data were analyzed by using graded layer model for the film with Lorentz oscillator parameterization of the ZnO optical constants. The films produced at low temperatures always have negative Seebeck voltage, while at Ts>540 °C it changes to low positive values, which, however, degrade to negative values within several hours. The Lorentz oscillator broadening for the films grown at these temperatures increases with oxygen flow which points to a formation of more disordered structure inside ZnO grains in this case. XRD analysis yields decreasing grain size and increasing rocking curve full width on a half maximum with oxygen flow enhancement at the same Ts.
Keywords: zinc oxide thin films, dielectric function, spectroscopic ellipsometry, x-ray diffraction
  • Lecture (Conference)
    DPG Spring Meeting, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8381 - Permalink

Untersuchungen an neutronenbestrahlten Reaktordruckbehälterstählen mit Neutronen-Kleinwinkelstreuung
Ulbricht, A.;
In dieser Arbeit wurde die durch Bestrahlung mit schnellen Neutronen bedingte Materialalterung von Reaktordruckbehälterstählen untersucht. Das Probenmaterial umfasste unbestrahlte, bestrahlte und ausgeheilte RDB-Stähle russischer und westlicher Reaktoren sowie Eisenbasis-Modelllegierungen. Mittels Neutronen-Kleinwinkelstreuung ließen sich bestrahlungsinduzierte Leerstellen/Fremdatom-Cluster unterschiedlicher Zusammensetzung mit mittlerem Radius um 1.0 nm nachweisen. Ihr Volumenanteil steigt mit der Strahlenbelastung monoton, aber im allgemeinen nicht linear an. Der Einfluss der Elemente Cu, Ni und P auf den Prozess der Clusterbildung konnte herausgearbeitet werden. Eine Wärmebehandlung oberhalb der Bestrahlungstemperatur reduziert den Anteil der Strahlendefekte bis hin zu deren vollständiger Auflösung. Die Änderungen der mechanischen Eigenschaften der Werkstoffe lassen sich eindeutig auf die beobachteten Gefügemodifikationen zurückführen. Die abgeleiteten Korrelationen können als Hilfsmittel zur Vorhersage des Materialverhaltens bei fortgeschrittener Betriebsdauer von Leistungsreaktoren mit herangezogen werden.
Keywords: small-angle neutron scattering, irradiation-induced microstructure, ageing of reactor pressure vessel steels under neutron irradiation
  • Open Access LogoWissenschaftlich-Technische Berichte / Forschungszentrum Rossendorf; FZR-453 2006


Publ.-Id: 8380 - Permalink

Luminescence spectrum of uranyl(V) in 2-propanol perchlorate solution
Steudtner, R.; Arnold, T.; Großmann, K.; Geipel, G.; Brendler, V.;
The luminescence spectrum of uranyl U(V) in aqueous perchlorate solution was detected for the first time at room temperature in the UV-Vis region with a peak maxima at 440 nm and a fluorescence lifetime of 1.1 +/- 0.021 mu s using an excitation wavelength of 255 nm.
  • Inorganic Chemistry Communications 9(2006)9, 939-941

Publ.-Id: 8379 - Permalink

Uranium(VI) Complexation by Humic Acid under Neutral pH Conditions Studied by Laser-Induced Fluorescence Spectroscopy
Sachs, S.; Brendler, V.; Geipel, G.;
The complexation of U(VI) with Aldrich humic acid (HA) was studied at pH 7 under exclusion of CO2. Using two independent laser-induced spectroscopic methods, time-resolved laser-induced fluorescence spectroscopy (TRLFS) and TRLFS with ultrafast pulses (fs-TRLFS), the formation of the ternary U(VI) mono hydroxo humate complex UO2(OH)HA(I) by reaction of UO2OH+ with HA was studied. Assuming that all proton exchanging functional groups of the HA are able to contribute to the complex formation, a mean stability constant of 6.58 ± 0.24 was derived for UO2(OH)HA(I). Alternatively, the analytical data were evaluated based on the metal ion charge neutralization model resulting in a complexation constant of 6.95 ± 0.10 and a loading capacity of 0.76 ± 0.28. An overall complexation constant of log b0.1M = 14.89 ± 0.54 was calculated for the total reaction of U(VI) with HA starting from the non-hydrolyzed UO22+ ion. This value agrees very well with literature data. Taking into account the UO2(OH)HA(I) complex, the speciation of U(VI) in presence of HA was recalculated. It was found, that the formation of UO2(OH)HA(I) can significantly influence the U(VI) distribution in the environmentally relevant pH region. As a consequence, the mobility of U(VI) in natural aquifer systems could be enhanced.
Keywords: Humic Acid, Complexation, Uranium(VI), Ternary Complexes, TRLFS, fs-TRLFS

Publ.-Id: 8378 - Permalink

Beta decay of the proton-rich nuclei 102Sn and 104Sn
Karny, M.; Batist, L.; Banu, A.; Becker, F.; Blazhev, A.; Brown, B. A.; Brüchle, W.; Döring, J.; Faestermann, T.; Gorska, M.; Grawe, H.; Janas, Z.; Jungclaus, A.; Kavatsyuk, M.; Kavatsyuk, O.; Kirchner, R.; La Commara, M.; Mandal, S.; Mazzocchi, C.; Miernik, K.; Mukha, I.; Muralithar, S.; Plettner, C.; Plochocki, A.; Roeckl, E.; Romoli, M.; Rykaczewski, K.; Schädel, M.; Schmidt, K.; Schwengner, R.; Zylicz, J.;
The decays of 102 Sn and 104 Sn were studied by using high-resolution germanium detectors as well as a Total Absorption Spectrometer (TAS). For 104 Sn, with three new beta-delayed gamma rays identified, the total Gamow-Teller strength (BGT) value of 2.7(3) was obtained. For 102Sn, the gamma-gamma coincidence data were collected for the first time, allowing us to considerably extend the decay scheme. This scheme was
used to unfold the TAS data and to deduce a BGT value of 4.2(8) for this decay. This result is compared to
shell model predictions, yielding a hindrance factor of 3.6(7) in agreement with those obtained previously for 98Cd and 100In. Together with the latter two, 102 Sn completes the triplet of Z < 50, N > 50 nuclei
with two proton holes, one proton hole and one neutron particle, and two neutron particles with respect to the doubly magic 100Sn core.
Keywords: Nuclear structure. Gamma-ray spectroscopy. Beta decay. Gamov-Teller strength. Shell model.

Publ.-Id: 8377 - Permalink

Electronic structure of highly ordered Sr2FeMoO6: XPS and XES studies
Kuepper, K.; Kadiroglu, M.; Postnikov, A. V.; Prince, K. C.; Matteucci, M.; Galakhov, V. R.; Hesse, H.; Borstel, G.; Neumann, M.;
We have investigated the electronic structure of Sr2FeMoO6. In order to probe the partial densities of states we applied soft x-ray emission spectroscopy (XES) to the Fe L, the Mo M and the O K edges. We discuss the results in the light of complementary measurements of the valence band by means of x-ray photoelectron spectroscopy (XPS) and first-principles generalized gradient approximation (GGA) and LDA + U band structure calculations [1].
[1] K. Kuepper et al., J. Phys.: Condens. Matter 17, 4309 (2005).
Keywords: Sr2FeMoO6, double perovskite, electronic structure, x-ray photoelectron spectroscopy, x-ray emission spectroscopy
  • Lecture (Conference)
    DPG - spring meeting of the Division Condensed Matter, 26.-31.03.2006, Dresden, Germany

Publ.-Id: 8376 - Permalink

Investigation of orbital ordering in La7/8Sr1/8MnO3 by means of x-ray linear dichroism at the Mn L edge
Kuepper, K.; Bondino, F.; Prince, K. C.; Zangrando, M.; Zacchigna, M.; Takacs, A. F.; Matteucci, M.; Parmigiani, F.; Winiarski, A.; Galakhov, V. R.; Mukovskii, Y. M.; Neumann, M.;
We have investigated for the first time the orbital ordering in a three dimensional colossal magneto resistance manganite, namely
La7/8Sr1/8MnO3, by applying soft x-ray linear dichroism (XLD) to the Mn L edge [1]. We found that the cooperative Jahn Teller distorted orthorhombic phase, which is present at a temperature of 240 K, is probably accompanied by a predominantly cross type (x2−z2)/(y2−z2) orbital ordering. This result is discussed in the light of previous results obtained by means of resonant x-ray scattering at the Mn K edge and different exchange interaction models.
[1] K. Kuepper et al., J. Phys. Chem. B 109, 15667 (2005)
Keywords: LaMnO3, La1-xSrxMnO3, colossal magneto resistance, orbital ordering, x-ray linear dichroism
  • Poster
    DPG - spring meeting of the Division Condensed Matter, 26.-31.03.2006, Dresden, Germany

Publ.-Id: 8375 - Permalink

Microstructural anisotropy at the ion-induced rippled amorphous – crystalline interface of silicon
Grigorian, S.; Grenzer, J.; Datta, D. P.; Hazra, S.; Chini, T. K.; Sanyal, M. K.; Pietsch, U.;
The mechanism of ion-induced ripple-like structure formation at top-surface
and at buried crystalline surface is being studied extensively by several techniques. Using the technique of grazing incidence x-ray scattering, we have measured the degree of amorphization in the region between buried-crystalline and top-surface ripples in silicon as a function of argon-ion dose. Two broad peaks of the amorphous scattering profiles were probed by varying the penetration depth of x-ray and revealed short-range ordering. Our results show that the strong damage of crystalline structure caused by ion bombardment takes place along particular crystallographic directions and displays ion dose dependent behavior.
Keywords: grazing incidence scattering ion beam irradiation
  • Applied Physics Letters 89(2006)23, 231915

Publ.-Id: 8374 - Permalink

Organic Field-Effect Transistors Utilising Oligothiophene Based Swivel Cruciform
Zen, A.; Pingel, P.; Neher, D.; Grenzer, J.; Zhuang, W.; Rabe, J. P.; Bilge, A.; Galbrecht, F.; Nehls, B.; Farrell, T.; Scherf, U.; Abellons, R. D.; Grozema, F. C.; Siebbeles, L. D. A.;
Two types of highly soluble oligothiophene based swivel cruciform are presented as semiconducting materials in OFETs. Transistor made from one of these oligomers exhibited mobilities of more than 0.01 cm^2/Vs and current on/off ratio of >105. This is among the highest values reported to date for wet processed OFETs utilizing oligothiophenes. In fact, the OFET-mobilities are comparable to values extracted from pulse-radiolysis time resolved microwave conductivity (PR-TRMC) experiment, indicating that carrier trapping is insignificant. In depth examination of the morphological, optical characteristics and thermal stability of the materials were carried to obtain information on the packing of the oligomers in the layer. Finally, the correlation between the transistor performance and the crystallinity of the layers is addressed.
Keywords: organic field effect transistors semiconducting polymers
  • Chemistry of Materials (2007)
  • Poster
    DPG - spring meeting of the Division Condensed Matter, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8373 - Permalink

Ripple morphology versus Ar+ implantation dose in silicon
Grigorian, S.; Grenzer, J.; Pietsch, U.;
Investigations of ripples morphology of Ar+ implanted silicon are presented. Particularly we have measured the degree of amorphization as a function of implantation dose by means of x-ray grazing amorphous scattering (GIAS). For perfect silicon crystals GIAS shows monotone decreasing background intensity versus the 2theta scattering angle. For implanted samples we find two broad peaks indicating short-range ordering of amorphous material changing with the penetration depth of probing x-ray. The appearance of embedded crystalline domains is indicated by additional sharp peaks on top of the amorphous scattering. 2theta- scans taken at different azimuthal angles of sample display strong anisotropy of amorphous scattering which only slightly changes with dose. Based on these results we suggest a model of dose-dependent amorphization. The strong damage of crystalline structure takes place along particular crystallographic directions and strongly reveal for low doses, before it becomes complete amorphous and mostly uniform at high doses of implantation. This mechanism can be used as a hint for the appearance of a ripples amorphous-crystalline interface found at these structures.

We would like to thank S. Hazra and T.K. Chini for research collaborations.
This work was supported by the DST-DAAD India-Germany
Keywords: Granzing incidence amorphous scattering ion beam irradiation
  • Lecture (Conference)
    DPG - spring meeting of the Division Condensed Matter, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8372 - Permalink

Alkaline earth uranyl compounds – from solution to mineral phases
Geipel, G.; Bernhard, G.;
The uranyl tricarbonato complex is one of the most important uranyl species under environmental conditions. The tendency to form stable metal-uranyl tricarbonato complexes was found particularly for the interaction with alkaline earth elements. We studied chemical behavior of these compounds in aqueous solution by time-resolved laser-induced fluorescence spectroscopy (TRLFS). However, under comparable chemical conditions the formation of these complexes is very different. While magnesium tends mainly to the formation of a MgUO2(CO3)32+ - complex, in the case of calcium the Ca2UO2(CO3)3(aq.) complex is the most stable. The stability constant for the Ca2UO2(CO3)3 – complex is derived to be log β°213 = 30.90 ± 0.25 [1]. In the corresponding systems with strontium as well as for barium only the MeUO2(CO3)32+ - complex is formed. The stability constants of the MeUO2(CO3)32+ - complexes are determined to be log β°113 = 26.13 ± 0.27 and 26.24 ± 0.31 for the alkaline earth elements Sr and Ba, respectively. The Me2UO2(CO3)3 – complexes for Mg and Ca form stable minerals as bayleyite and liebigite. However several other mineral modifications as zellerite, fontanite, sharpite and rabbittite underline the geochemical importance of this class of compounds.
Analogous phenomena can be expected in the alkaline earth uranyl phosphate systems. Therefore we studied the interaction of alklaine earth metal ione with UO2(PO4)- at pH 7.0. From the fluorescence data the formation of MeUO2(PO4)+ complexes in solution can be concluded. The stability constants are derived to be β°111 = 16.85 ± 0.16, 16.62 ± 0.15, 17.4 ± 0.4 and 16.9 ± 0.4 for Mg, Ca, Sr and Ba, respectively. The formation of complexes with the common formula Me(UO2)2(PO4)2aq has not yet been obeserved due to the low solubility of these componds. In the case of Mg and Ca the fluorescence data will be compared to the correspondong minerals saleiite and autunite [2].
Keywords: uranium, minerals, fluorescence, complex formation
  • Lecture (Conference)
    Goldschmidt Conference, 27.08.-1.9.2006, Melbourne, Australia
  • Geochimica et Cosmochimica Acta 70(2006)18, Supl.1, 10
    DOI: 10.1016/j.gca.2006.06.396

Publ.-Id: 8371 - Permalink

Complex formation of uranium(VI) with 4-hydrosy-3-methoxybenzoic acid and related compounds
Vulpius, D.; Geipel, G.; Baraniak, L.; Rossberg, A.; Bernhard, G.;
The complex formation of uranium(VI) with 4-hydroxy-3-methoxybenzoic acid as well as with benzoic acid and 3-hydroxybenzoic acid was studied. In aqueous solution weak carboxylic 1:1 complexes, in which the carboxyl group is bidentately coordinated to the metal atom, are formed. The logarithmic stability constants of these complexes regarding the reaction of the uranyl ion with the single charged anion of the respective ligands are 2.78 ± 0.04, and 2.71 ± 0.04 at an ionic strength of 0.1 mol/l (NaClO4) and at 25 °C.
Bis(4-hydroxa-3-methoxybenzoato)dioxouranium(VI) was obtained as a crystalline complex if the concentrations of the starting compounds for the synthesis are increased. The monoclinic compound has a reflections-rich X-ray powder diffraction pattern. The lattice constants are a = 13.662(9) Å, b = 21.293(7) Å, c = 11.213(3) Å, b = 107.49(4)°, and V = 3111(2) Å3.
  • Journal of Radioanalytical and Nuclear Chemistry 270(2006)3, 661-667

Publ.-Id: 8370 - Permalink

Monitoring Carbon Ion Tumor Therapy with In-Beam Positron Emission Tomography: Status and Trends
Crespo, P.;
Within the tumor treatment pilot project running at the Gesellschaft für Schwerionenforschung (GSI) in Darmstadt, in-beam positron emission tomography (in-beam PET) is used to clinically monitor every patient irradiation with carbon ion beams. The physical, technical and radiobiological rationale for heavy ion tumor therapy will be shortly outlined, together with a comparison of clinical results obtained with carbon therapy versus other forms of radiotherapy.
In-beam PET, installed at GSI by the team from the Forschungszentrum Rossendorf, will then be presented in this clinical context, followed by a description of the technological solutions already achieved, as well as by the challenges to take into consideration in order to extend the in-beam PET method onto future radiotherapy facilities delivering also other ion species.
Keywords: PET
  • Lecture (others)
    Seminar on Molecular Life Sciences and Imaging, 28.02.2006, Forschungszentrum Rossendorf, Dresden, Deutschland

Publ.-Id: 8369 - Permalink

New developments in detectors for in-beam PET
Crespo, P.; Barthel, T.; Kapusta, M.; Heidel, K.; Moszynski, M.; Pawelke, J.; Enghardt, W.;
State-of-the-art technology has outperformed the efficiency of the positron emission tomograph installed at the Gesellschaft für Schwerionenforschung for monitoring, in-beam, ion radiation therapy. In addition, the special requirements of in-beam PET have been better understood. We explain these special requisites and present dedicated in-beam PET readout solutions, either tested in-beam or under development. Experimental results obtained with two multi-pixel, gamma-ray detectors consisting of lutetium oxyorthosilicate (LSO) coupled to avalanche photodiode arrays (APDA) show that this detector provides a good solution for improved, next-generation in-beam PET scanners.
Nevertheless, we extrapolate recent detector and scintillator developments, enabling sub-nanosecond coincidence time resolution (T), onto a possile in-beam time-of-flight (TOF) PET scanner. We show that T < 200 ps full-width-at-half-maximum allows:
(1) images to be shown to the radiooncologist in real-time,
(2) artifact-free images to be obtained from dual-head tomographs,
(3) an absolute quantification of image intensity and
(4) to obtain optimum PET images corrected from biological washout mechanisms.
Keywords: PET, TOF-PET
  • Lecture (Conference)
    DPG Frühjahrstagung, 13.-15.03.2006, Heidelberg, Deutschland

Publ.-Id: 8368 - Permalink

Reaction Pathways of a Regular Disintegration of Nanowires by Thermocapillarity
Röntzsch, L.; Heinig, K.-H.;
Surface free energy minimization driven by capillary forces leads to morphological changes of wires, e.g. disintegration into a droplet chain – known as Rayleigh instability. At the nano-scale, capillary effects are much more pronounced than in macroscopic systems due to the large surface-to-volume ratio. However, capillary-driven self-organization processes are subject to increasing fluctuations with decreasing dimensions, which mostly prevent the formation of regular structures with long-range order. In this contribution, we predict by means of kinetic Monte Carlo simulations a novel method to fabricate size-controlled chains of nanodroplets. Our prediction rests on the temperature dependence of surface tension – the origin of thermocapillarity. Uncompensated forces occur due to surface temperature gradients. These forces lead to material transport and structure formation on short time and length scales. A surface tension gradient triggers the biased migration of atoms from hot to cold regions by surface diffusion. A periodic temperature gradient along a nanowire might be achieved by a surface-plasmon-polariton (SPP) wave. For SPP excitations with long wavelengths (e.g. by a CO2 laser), sufficiently strong steady-state temperature gradients may be produced. However, pulsed operation might be necessary for shorter wavelengths. We predict that the regularity of nanodroplet chains, that form during a self-organized disintegration of nanowires, might be considerably improved by SPPs. If the SPP wavelength is commensurable with the inherent Rayleigh wavelength of the nanowire disintegration, the SPP-induced temperature undulations control the Rayleigh instability. Thus, a regular and long-range order in nanodroplet size and position may be achieved.
Keywords: Rayleigh instability, nanowire, thermocapillarity, disintegration, long-range order
  • Poster
    DPG Frühjahrtagung 2006, 26.-31.03.2006, Dresden, Deutschland

Publ.-Id: 8367 - Permalink

Experimental investigation of coolant mixing in the RPV of PWR in the late phase of a SBLOCA event
Kliem, S.; Prasser, H.-M.; Sühnel, T.; Weiss, F.-P.; Hansen, A.;
Partial depletion of the primary circuit of a pressurized water reactor during a postulated small break loss of coolant accident can lead to interruption of one-phase flow natural circulation. In this case, the decay heat is removed from the core in the reflux-condenser mode. In this operation mode, slugs of lower borated water can accumulate in the cold legs. After refilling of the primary circuit, the natural circulation in the two loops not receiving emergency core cooling injection (ECC) re-establishes and the lower borated slugs are shifted towards the reactor pressure vessel (RPV). Entering the core, the lower borated water causes a reactivity insertion. Mixing inside the RPV is an important phenomenon limiting the reactivity insertion and preventing a re-criticality.
The mixing of these lower borated slugs with the ambient coolant in the RPV was investigated at the 1:5 scaled coolant mixing test facility ROCOM. Wire mesh sensors based on electrical conductivity measurement are used in ROCOM to measure in detail the spreading of a tracer solution in the facility. The mixing in the downcomer was observed with a sensor which spans a measuring grid of 64 azimuthal and 32 positions over the height. The resulting distribution of the boron concentration at the core inlet was measured with a sensor integrated into the lower core support plate providing one measurement position at the entry into each fuel assembly.
The boundary conditions for the mixing experiment were taken from an experiment at the thermal-hydraulic test facility PKL operated by FANP Germany. The slugs, which have a lower density, accumulate in the upper part of the downcomer after shifting into the RPV. The ECC-water injected into the RPV falls almost straight down through the lower borated water and accelerates. On the outer sides of the ECC-streak, lower borated coolant admixes and flows together with the ECC-water downwards. This is the only mechanism of transporting the lower borated water into the lower plenum. All these effects could be visualized and quantified by the downcomer sensor. On the way to the core, the lower borated water is effectively mixing with the ambient, high borated water. Therefore, in the core inlet plane, lower borated water is detected only in the outer part. The minimum boron concentration, measured at one fuel element inlet position at one certain time point, was 71 % of the initial 2500 ppm. There is no change of the initial boron concentration in the inner part of the core inlet plane during the whole transient at all.
  • Lecture (Conference)
    International Conference on Nuclear Engineering ICONE-14, 17.-20.07.2006, Miami, United States
  • Contribution to proceedings
    International Conference on Nuclear Engineering ICONE-14, 17.-20.07.2006, Miami, United States
    Proceedings paper 89472: ASME, 0-7918-3783-1

Publ.-Id: 8366 - Permalink

Atomistic study of bulk properties and point defects in Ge
Geßner, H.; Posselt, M.;
Different parametrizations for the Stillinger-Weber potential are used to determine the elastic properties and the melting point of Ge as well as the stability, the structure and the energetics of potential vacancy and self-interstitial configurations. The results are compared with literature data obtained from experiments and by tight-binding and density-functional theory calculations. Furthermore, the vacancy and self-interstitial migration is investigated for temperatures between 600 and 1200 K. The defect diffusivity, the self-diffusion coefficient per defect and the corresponding effective migration barriers are determined. These results are compared with experimental data on self-diffusion in Ge.
Keywords: atomistic simulation, germanium, point defects, bulk properties
  • Poster
    DPG/AKF Frühjahrstagung and 21st General Conference of the EPS Condensed Matter Division, 27.-31.03.2006, Dresden, Germany

Publ.-Id: 8365 - Permalink

Sigma-2 selective fluorinated ligands: Synthetic method and optimization of decarbonylation for radiolabeling.
Seo, J. W.; Chi, D. Y.; Luyt, L. G.; Wüst, F.; Dence, C. S.; Sharp, T. L.; Mach, R. H.; Welch, M. J.; Katzenellenbogen, J. A.;
Sigma receptors are membrane-bound proteins having high affinities for a variety psychotropic
drugs with opiate-type structures. The sigma receptor subtypes, sigma-1 and sigma-2, have different molecular weights and pharmacological roles.1 Many cancer cell lines (breast, melanoma, prostate cancer) express high levels of sigma receptors,2,3 and proliferative tumor cells express much higher levels of sigma-2 receptors than quiescent cells.4,5 Thus, the sigma-2 receptor has been proposed as a suitable target for imaging proliferative tumor cells.

While many ligands are selective for the sigma-1 receptor or are nonselective, very few ligands
are selective for the sigma-2 receptor. A radiopharmaceutical based on an azabicyclo[3.3.1]nonane framework was developed by Mach,6 who demonstrated that the rhenium surrogate showed exceptional sigma-2 selectivity; later this agent was labeled with technetium-99m by Kung for tissue distribution studies.7 In considering potential fluorine-18
labeled sigma-2 receptor ligands, our attention focused on members of an indole piperidine series, especially 1 (LU 28-179), which is reported to have a remarkably high sigma-2 binding affinity and selectivity.8,9 Figure 1. The structure of indole piperidine ligands and their inhibition constants toward sigma receptors.

Target compounds 1 and 2 were prepared in several steps by a route based on a previously
described method,7 with modifications making it more efficient for the synthesis of the precursor molecule (3); compounds 1 and 2 showed high binding affinity and good selectivity (6 fold) for the sigma-2 receptor (Figure 1). The preparation of [18F]-labeled indole piperidine [18F]1 was achieved in two steps from a o-nitroaldehyde precursor (3). Aromatic [18F]fluorination was not reproducible when 3 was treated with F-18 fluoride in the presence of Bu4NOH under microwave heating conditions. However, by using F-18, K2CO3 and kryptofix[2.2.2] under microwave heating, we obtained radiochemical yields of 5-50%. The final decarbonylation step with Wilkinson’s catalyst was studied in various solvents. Decarbonylation using dioxane as solvent produced [18F]1, but with toluene, extensive decomposition resulted. Herein, we present the synthesis of precursor 3, optimization of [18F]fluorination, and decarbonylation to produce [18F]Lu 28-179 (Scheme 1). Future work to prepare [18F]1 will be done using an alternate synthetic route.10
Supported by DOE grants 86ER60401 (to JAK) and 84ER60218 (to MJW).
1. Vilner, B. J. et al. Cancer Res. 55: 408-413 (1995)
2. John, C. S. et al. Cancer Res. 59: 4578-4583 (1999)
3. Quirion, R. et al. Trends Phrmacol. Sci. 13: 85-6 (1992)
4. Mach, R. H. et al. Cancer Res. 57: 156-161 (1997)
5. Wheeler, K. T. et al. Br. J. Cancer 82: 1223-1232 (2000)
6. Mach et al., J. Labelled Cmpds Radiopharm 2001; 44: 899-908
7. Choi, S.-R. Nucle. Med. Biol. 28: 657-666 (2001)
8. Perregaard, J. J. Med. Chem. 38: 1998-2008 (1995)
9. Moltzen, E. K. J. Med. Chem. 38: 2009-2017 (1995)
10. Wüst, F. et al. J. Label. Compd. Radiopharm. 48: 31-43 (2005)
  • Poster
    International Symposium on Radiopharmaceutical Chemistry (IRSC 2005), 24.-28.06.2005, Iowa City, Iowa, USA
  • Abstract in refereed journal
    Journal of Labelled Compounds and Radiopharmaceuticals 48(2005), S170

Publ.-Id: 8364 - Permalink

Annual Report 2005 - Institute of Ion Beam Physics and Materials Research
von Borany, J.; Heera, V.; Helm, M.; Möller, W.; (Editors)
  • Open Access LogoWissenschaftlich-Technische Berichte / Forschungszentrum Rossendorf; FZR-448 2006


Publ.-Id: 8363 - Permalink

Response of bacterial strains isolated from a uranium mining waste to heavy metal stress
Merroun, M.; Geissler, A.; Regenhardt, D.; Selenska-Pobell, S.;
Two bacterial strains, Iso2 and Iso3, were cultured from a uranium mining waste pile near the town of Johanngeorgenstadt, Germany. The 16S rRNA gene sequence analysis demonstrated that these strains belong to the genus Arthrobacter of Actinobacteria. In this work, a combination of wet chemistry, spectroscopic, microscopic and microbiological methods were used to assess the stress response of these strains to heavy metals. The studied strains, Arthrobacter sp. Iso2 and Iso3, tolerate -lead, -nickel, and -uranium in concentrations up to 0.5 mM, 18 mM, and 1 mM respectively. As was demonstrated by X-ray powder diffraction (XRD) analysis, the cells of these two strains precipitate lead as lead sulfide (galena). Transmission electron microscope (TEM) showed that these precipitates are localized mainly at the cell surface. Dead/live staining indicated that 60% of the lead-treated cells are viable. Polyacrylamide gel electrophoretic (PAGE) analysis of total bacterial proteins showed different profiles between the Pb-treated and the -untreated (control) cells. The amount of a 55 kDa protein was higher in lead-treated cultures than in the control cultures. The origin of sulfide involved in lead precipitation will be discussed in term of microbial activity .
  • Lecture (Conference)
    FEMS 2006, 2nd Congress of European Microbiologists, 04.-08.07.2006, Madrid, Spain
  • Contribution to proceedings
    FEMS 2006, 2nd Congress of European Microbiologists, 04.-08.07.2006, Madrid, Spain, 299

Publ.-Id: 8362 - Permalink

AMOS - An Effective Tool for Adjoint Monte Carlo Photon Transport
Gabler, D.; Henniger, J.; Reichelt, U.;
In order to expand the photon version of the Monte Carlo transport program AMOS PE to an adjoint photon version the theory of adjoint radiation transport is resumed and evaluated in this regard. All relevant photon interactions, photoelectric effect, coherent scattering, incoherent scattering and pair production, are taken into account as proposed in the EPDL 97. In order to simulate pair production and to realise physical source terms with discrete energy levels, an energy point detector is used. To demonstrate the qualification of AMOS Pt a simple air-over ground problem is simulated by both the forward and the adjoint programs. The results are compared and total agreement is shown.
Keywords: Monte Carlo; Radiation Transport; Adjoint; Air-Over-Ground

Publ.-Id: 8361 - Permalink

Antisite pair recombination in SiC by a modified concerted exchange mechanism
Posselt, M.; Gao, F.; Weber, W. J.;
for further information, please contact the author
Keywords: defects, SiC, atomistic simulations
  • Lecture (Conference)
    44. Arbeitskreis "Punktdefekte", 23.-25.03.2006, Dresden, Germany

Publ.-Id: 8360 - Permalink

Optical properties of PECVD deposited DLC films prepared with air addition
Tinchev, S. S.; Dyulgerska, Y.; Nikolova, P.; Grambole, D.; Kreissig, U.; Babeva, T.;
Diamond-like carbon (DLC) films with addition of atmospheric air to benzene were prepared by DC discharge plasma enhanced chemical vapor deposition (PECVD). These films were compared with films made from benzene/argon mixture. Some properties of the films including their optical transmission, hydrogen content and Raman spectra were investigated. It was found that such films fabricated with air addition (even at low vacuum) exhibit properties suitable for optical applications.
Keywords: Diamond-like carbon, Thin films, PECVD
  • Journal of Optoelectronics and Advanced Materials 8(2006)1, 308-311

Publ.-Id: 8359 - Permalink

Stability and Molecular Speciation of Colloid-borne Uranium
Ulrich, K.-U.; Weiss, S.; Rossberg, A.; Foerstendorf, H.; Zänker, H.;
Mining on uranium ores in Eastern Germany produced 220,000 metric tons of uranium (U) in addition to ~5•108 metric tons of radioactive waste on 3000 dumps and 20 tailings, and leaving a total subsurface void volume of >1•108 m3 to be flooded. For a reliable assessment of the U migration, knowledge on the molecular speciation and complex stability is crucial. Starting from field studies and mesocosm-scaled simulation of a mine flooding scenario, we performed coprecipitation batch experiments with U(VI) and newly formed, initially colloidal 2-line ferrihydrite at different pH and ion matrix conditions. The talk presents major results of the colloid characterization, and of spectroscopic investigations on the molecular bonding of the colloid-borne U using Extended X-ray Absorption Fine Structure (EXAFS) and Attenuated Total Reflectance Infrared (ATR IR) spectroscopy. The influence of carbonate on the U(VI)-ferrihydrite surface complex formation will be discussed.
In addition, some U-loaded precipitates and a sediment sample from a uranium mine were subjected to consecutive leaching experiments and thermally induced aging. These experimental approaches aimed at determining the kinetics of U desorption processes and obtaining preliminary information on the long-term stability of U-binding. According to our results, part of the adsorbed uranium seems to be bound irreversibly within the bulk precipitate, especially when the U-sorbing ferrihydrite phase altered to hematite.
In summary, the presented results show that the interaction of U(VI) and highly reactive functional groups of colloidal and aggregated ferrihydrite surfaces can play a major role in lowering or delaying the release of toxic U from flooded uranium mines into adjacent groundwater aquifers or surface waters.
  • Lecture (Conference)
    Water Quality SuperGroup meeting at the School of Engineering & Applied Science, 31.03.2006, St. Louis, United States

Publ.-Id: 8358 - Permalink

Entwicklung und Validierung von CFD-Modellen fürZweiphasenströmungen
Frank, T.; Lucas, D.; Prasser, H.-M.; Krepper, E.; Shi, J.-M.;
CFD-Codes ist der Oberbegriff für Rechenprogramme zur mehrdimensionalen numerischen Strömungssimulation. Mit der heute verfügbaren Rechentechnik und fortgeschrittenen numerischen Methoden können bereits komplizierte Strömungsfelder, wie sie unter anderem in der Automobil- und Luftfahrtindustrie auftreten, berechnet werden. Von dem, was bei reinen Gas- oder Flüssigkeitsströmungen schon breite Anwendung findet, ist man im Fall zwei- oder mehrphasiger Strömungen jedoch noch weit entfernt. Wenn, wie beispielsweise in einem Kernreaktor, ein Zweiphasengemisch aus Dampf und Wasser die Brennelemente kühlt, dann müssen zusätzlich die Wechselwirkungen zwischen den beiden beteiligten Phasen beschrieben werden. Im Rahmen einer Initiative des BMWA zur "Entwicklung und Anwendung von CFDProgrammen für Phänomene im Kühlkreislauf von Leichtwasserreaktoren" werden Arbeiten zur Ertüchtigung des CFD-Codes CFX von ANSYS gemeinsam vom Institut für Sicherheitsforschung des Forschungszentrum Rossendorf (FZR) und dem Codeentwickler, der ANSYS Germany GmbH durchgeführt. Ausgehend von experimentellen Daten, die an der TOPFLOW-Versuchsanlage des FZR mit innovativer, hochauflösender Messtechnik gewonnen werden, erfolgt die Entwicklung neuer Modelle und Konzepte. Diese werden mit vereinfachten Methoden getestet und nach erfolgreichem Test vom Codeentwickler in CFX implementiert. Anschließend erfolgt die gemeinsame Validierung der Modelle an Hand experimenteller Daten. Dieses Vorgehen wird am Beispiel der der Modellentwicklungen für Blasenströmungen demonstriert.
Keywords: CFD, Bubbly flow, MUSIG
  • Contribution to proceedings
    Aktuelle Themen der Reaktorsicherheitsforschung in Deutschland, KTG-Fachtagung, 03.-04.04.2006, Dresden, Germany
  • Invited lecture (Conferences)
    Aktuelle Themen der Reacktorsicherheitsforschung in Deutschland, KTG-Fachtagung, 03.-04.04.2006, Dresden, Germany

Publ.-Id: 8357 - Permalink

Effect of pH on the speciation of uranium(VI) associated with bacterial strains isolated from extreme habitats: Spectroscopic and microscopic studies
Merroun, M.; Nedelkova, M.; Rossberg, A.; Hennig, C.; Selenska-Pobell, S.;
This paper deals with the speciation of U(VI) associated with the cells of bacterial strains isolated from extreme habitats as function of pH. For this propose, a combination of synchrotron-based X-ray absorption spectroscopy (XAS), time-resolved laser-induced fluorescence spectroscopy (TRLFS), transmission electron microsocpe (TEM) coupled with energy dispersive-X ray (EDX) analysis and electron diffraction were used. XAS analysis indicated that the effect of pH on the local coordination of U in the U-complexes formed by the different bacterial strains is species specific. No structural differences were found between the U complexes formed by three different exo-types of Acidothiobacillus ferrooxidans at pH 2, 3 and 4.5. In contrast, the cells of Bacillus sphaericus JG-B7, Microbacterium oxydans M2, and Sphingomonas sp. S15-S1 precipitate U(VI) as a meta-autunite-like phase at pH 4.5, probably due to the release of the inorganic phosphate from the cells. At pH 2, the U is coordinated to the organic phosphate groups of the cells of the listed bacteria. Both organic and inorganic uranyl / bacterial complexes were formed at pH 3. TEM/EDX analysis confirm these results and showed strain-specific extracellular and/or intracellular uranium accumulation to varying degrees. We applied Iterative Target Test Factor Analysis to determine the uranium speciation at different pH values quantitatively from the EXAFS spectra. Different hypothesis explaining the different coordination chemistry of uranium to bacteria as a function of pH of uranium solution in terms of solubility of m-autunite and/or microbial activity will be discussed.
  • Lecture (Conference)
    11th International Symposium on Microbial Ecology, ISME-11, 20.-25.08.2006, Vienna, Austria

Publ.-Id: 8356 - Permalink

Erste Experimente zu in-beam PET mit harter Photonenstrahlung
Möckel, D.; Pawelke, J.; Sommer, M.; Will, E.; Enghardt, W.;
In-beam PET als eine Möglichkeit zur Qualitätssicherung für die Bestrahlung hat sich bereits in der Therapie mit Schwerionen bewährt. Für Protonen und Helium wurden erfolgreich Experimente durchgeführt. Da die Strahlentherapie mit Photonenstrahlung auch auf Photonen hoher Energien (größer 20 MeV) ausgeweitet wird, könnte in-beam PET dabei eingesetzt werden. Erste Experimente dazu wurden an ELBE (Elektronen Linearbeschleuniger für Strahlen hoher Brillianz und niedriger Emittanz) im Forschungszentrum Rossendorf durchgeführt. Durch Auftreffen der Elektronen (I = 80 µA) auf ein Aluminium-Target wurde Bremsstrahlung erzeugt und sowohl homogene PMMA-, als auch inhomogene gewebeäquivalente Phantome bestrahlt. Nach Ende der Bestrahlung wurde die Verteilung der im Phantom erzeugten Positronenemitter in einem PET-Scanner (Siemens ECAT EXACT HR+) ausgemessen. Die im Phantom applizierte Dosis wurde mittels optisch stimulierter Lumineszenzdosimeter (BeO) ermittelt. In insgesamt 16 Experimenten konnten die Abhängigkeiten der erzeugten Aktivität von der Elektronenenergie (E = 21 ... 34 MeV), der Dosis (D = 1 ... 10 Gy), der Kollimation des Photonenstrahls, sowie des Phantommaterials untersucht werden. Die Experimente und die Ergebnisse für Produktionsrate und dosisbezogene Aktivitätskonzentration werden vorgestellt.
Keywords: in-beam PET, hard photons
  • Lecture (Conference)
    DPG-Frühjahrstagung, 13.-15.03.2006, Heidelberg, Deutschland

Publ.-Id: 8355 - Permalink

Stability analysis of an electromagnetically levitated sphere
Priede, J.; Gerbeth, G.;
We present a combined numerical and analytical approach to analyze the static and dynamic stability of an electromagnetically levitated spherical body depending on the ac frequency and the configuration of a three-dimensional (3-D) coil made of thin winding which is modelled by linear current filaments. First, we calculate numerically the magnetic vector potential in grid points on the surface of the sphere and then use Legendre and fast Fourier transforms to find the expansion of the magnetic field in terms of spherical harmonics. Second, we employ a previously developed gauge transformation to solve analytically the 3-D electromagnetic problem in terms of the numerically obtained expansion coefficients. Using this solution, we obtain the electromagnetic reaction force due to both a small displacement of the sphere from its equilibrium position and its velocity of motion which are defined by symmetric stiffness and damping matrices, respectively. Eigenvalues and eigenvectors of the stiffness matrix yield three principal stiffness coefficients, which all have to be positive for the equilibrium state to be statically stable, and three mutually orthogonal directions of principal oscillations. Dynamic instabilities are characterized by critical ac frequencies which, when exceeded, may result either in a spin-up or oscillations with increasing amplitude. The effective electromagnetic damping coefficients are found by using a classical eigenvalue perturbation theory. A new theoretical approach based on the vector field transformation by a small rotation in combination with a parametric frequency derivative is introduced to find the electromagnetic reaction torque due to a slow rotation of the sphere in a 3-D ac magnetic field.
  • Journal of Applied Physics 100(2006), 054911

Publ.-Id: 8353 - Permalink

Experimental study of the suppression of Rayleigh--Benard instability in a cylinder by combined rotating and static magnetic fields
Grants, I.; Pedchenko, A.; Gerbeth, G.;
We consider experimentally transitions in a liquid metal cylinder heated from below and subject to superimposed rotating and static magnetic fields. Being itself unstable, a strong enough rotating magnetic field driven flow suppresses considerably the temperature fluctuations due to the thermo-gravitational convection. The remaining fluctuations are caused by unsteady Taylor vortices generated near the side wall. Our experiment shows that the superimposed static `cusp' field further reduces the amplitude and characteristic period of these remaining temperature fluctuations while a superimposed uniform axial field has no such effect. The observed behavior agrees quantitatively with the differing effects of various static fields on the additional unstable Taylor vortex type solutions, which bifurcate sub-critically and actually govern the transition in the RMF driven flow. Thus, the observations are consistent with the description of a turbulent shear flow as a trajectory wound irregularly on the skeleton of the additional unstable flow states. If this `skeleton' is compressed by an external influence (the `cusp' static field in our case), then also the averaged amplitude of turbulent fluctuations decreases by the same factor.
  • Physics of Fluids 18(2006), 124104
  • Lecture (Conference)
    2nd International Symposium "Instabilities and Bifurcations in Fluid Dynamics", 15.-18.08.2006, Copenhagen, Denmark

Publ.-Id: 8352 - Permalink

Towards CFD modelling of critical heat flux in fuel rod bundles
Krepper, E.; Egorov, Y.; Koncar, B.;
The paper describes actual CFD approaches to subcooled boiling and investigates their capability to contribute to fuel assembly design. In a prototype version of the CFD code CFX a wall boiling model is implemented based on a wall heat flux partition algorithm. It can be shown, that the wall boiling model is able, to calculate the cross sectional averaged vapour volume fraction with good agreement to published measurements. The most sensitive parameters of the model are identified. Needs for more detailed experiments are established which are necessary to support further model development. Nevertheless in the paper the model is applied for the investigation of the phenomena inside a hot channel in a fuel assembly. Here the essential parameter is the critical heat flux. Although subcooled boiling represents only a preliminary state toward critical heat flux essential parameters like the swirl, the cross flow between adjacent channels and concentration regions of bubbles can be determined. By calculating the temperature at the rod surface the critical regions can be identified which might later on lead to departure from nucleate boiling and possible damage of the fuel pin. The application of up-to-date CFD with a subcooled boiling model for the simulation of a hot channel enables the comparison and the evaluation of different geometrical designs of the spacer grids of a fuel rod bundle.
Keywords: Wallboiling, CFD, Validation, Fuel Rod Bundle
  • Contribution to proceedings
    International Congress on Advances in Nuclear Power Plants ICAPP06, 04.-08.06.2006, Reno, United States
  • Lecture (Conference)
    International Congress on Advances in Nuclear Power Plants ICAPP06, 04.-08.06.2006, Reno, United States

Publ.-Id: 8351 - Permalink

CFD Simulation of forced convective boiling in heated channels
Koncar, B.; Krepper, E.;
In this paper a forced convective boiling of Refrigerant R-113 in a vertical annular channel has been simulated by a custom version of the CFX-5 code. The employed subcooled boiling model uses a special treatment of the wall boiling boundary, which assures the grid invariant solution. The simulation results have been validated against the published experimental data. In general a good agreement with the experimental data has been achieved, which shows that the current model may be applied for the Refrigerant R-113 without significantly changing the model parameters. The influence of non-drag forces, bubble diameter size and interfacial drag model on the numerical results has been investigated as well.
Keywords: forced convective boiling, refrigerant R-113, CFD simulations, validation
  • Contribution to proceedings
    OECD/NEA International Workshop on The Benchmarking of CFD Codes for Application to Nuclear Reactor Safety (CFD4NRS), 05.-09.09.2006, Garching, Germany
  • Lecture (Conference)
    OECD/NEA International Workshop on The Benchmarking of CFD Codes for Application to Nuclear Reactor Safety (CFD4NRS), 05.-09.09.2006, Garching, Germany

Publ.-Id: 8350 - Permalink

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