Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

The HADES spectrometer installed at GSI Darmstadt is devoted to the study of the production of di-lepton pairs from vector meson decays in relativistic nucleus-nucleus collisions, as well as proton- and pion-induced reactions. Extraction of rare lepton pairs in high hadron multiplicity events requires an efficient particle identification (PID). In HADES charged particles momentum is measured by a tracking system surrounding the toroidal super conducting magnet, and velocity and energy loss is provided by a TOF detector. Leptons are identified by a Rich as well as a Shower detector. The particle identification method is using full experimental information from all subdetectors. To demonstrate the method performance, single particle spectra of charged hadrons and leptons from C+C at 2 AGeV will be presented and compared with results of corresponding simulations. The proton and pion yields an m_T and rapidity distributions will be compared with existing data. Very preliminary results of lepton analysis will be shown as well.

Electromagnetic fields provide an attractive tool for a contact-less control of flows in metallurgical and crystal growth processes. The presentation starts with a classification of magnetic field actions on melt flows and with a summary of the recently developed velocity measuring techniques for opaque metallic melts. Emphasis will be given to the Ultrasonic Doppler Velocimetry (UDV) as it provides full profiles of the mean velocity and is applicable even through channel walls.
Based on such experimental and numerical modelling capabilities, we first consider the design and application of various magnetic fields for the inflow control of the mould filling process of aluminum investment casting. This process consists basically of the flow in a U-bend showing a high pouring velocity at the beginning and decreasing velocity values during the course of the process. The high velocities during the starting phase are supposed to cause distinct problems like bubble or inclusion entrapment. We present results on the design and application of a DC magnetic field to control the pouring velocity. Numerical 3d transient calculations were performed to simulate the filling process and the effect of the magnetic field. In parallel, model experiments with a plexiglas model have been performed using the low melting eutectic GaInSn. UDV was applied to carry out detailed velocity measurements in the model. Those measurements served for the validation of the numerical calculations, thus allowing to scale up the simulations to the realistic aluminium casting process. Tests with molten aluminium have been performed at an industrial investment caster. The primary action of the magnetic field, i.e. the reduction of the velocity peaks at the beginning of the process, was clearly demonstrated. The amplitude of the DC field was tuned during the process as the braking action is only needed during the first part of the process. In this way, a clear reduction of the peak velocities is obtained without a significant prolongation of the overall filling time. Eventually, a remarkable diminishment of defects in the casting products was achieved.
A more active influence on the overall process can be obtained by application of a travelling magnetic field which brakes the flow at the beginning but allows to pump the melt at the end of the filling process. First numerical and experimental results will be presented showing the superimposed stirring action of such an electromagnetic pump besides its integral pumping action. For a homogeneous breaking or pumping a special design of the AC magnetic field is inevitable.
The application of electromagnetically driven flows during solidification improves the quality of casting ingots by promoting the formation of fine, equiaxed grains. However, the lack of detailed knowledge on the transient flow dynamics obstructs the optimisation of solidification processes by electromagnetic flow control and is consequently one of the reasons for the rather empirical application of melt agitation until now. Our results show that the forced convection influences significantly the concentration as well the temperature profile ahead of the solidification front. A flow effect can be supposed both on the presence of free nuclei in the melt and suitable conditions allowing them to grow as equiaxed crystals in competition with the columnar front.

The solidification process and the resulting microstructure of Nd-Fe-B alloys in consideration of melt convection has been investigated experimentally with a specially designed forced crucible rotation technique. Samples were subjected to well-defined forced rotation and vibration, respectively, during induction heating and solidification. A concerted microstructure evolution is possible by enhancement or suppression of the melt convection. As a result, the microstructure pattern, mainly the volume fraction of the soft magnetic a-Fe phase, vary strongly with the strength of the internal flow motion. A distinct reduction of the a-Fe volume fraction in samples with strong melt rotation was observed by measuring the magnetic moment. Moreover, the melt flow was studied numerically taking into account the coupled heat and fluid flow fields. Furthermore, a new category of experiment has been started where a tailored magnetic field was applied in order to study the microstructure evolution due to an enhancement or suppression of the melt convection by additional alternating magnetic fields.

Experimental set-ups for magnetohydrodynamic dynamo involve usually complex configurations of fluid flow and magnetic field, designed to achieve the critical magnetic Reynolds number sufficient for magnetic self-excitation, but with minimum energy input and at scales manageable in a laboratory. Computer simulations that could be used to optimize the design and to complement the experiments have, however, been limited to much simplified geometries and flow conditions, which inevitably limit their applicability. In this paper, we report on progress in the coupled finite difference (Maxwell solver)/finite volume (Navier-Stokes solver) computer simulations of the full-scale real Riga dynamo experiment

In Analogie zu den Systemen für die KKW Saporoshje und Rovno wurden für die drei Blöcke des KKW Südukraine und für den ersten Block des KKW Chmelnitzky technische Systeme zur verbesserten betrieblichen Überwachung eingerichtet. Dazu werden der Aufsichtsbehörde vor Ort und im Krisenzentrum in Kiew einmal pro Minute für jeden Block bis zu 51 sicherheitsrelevante technologische und 16 radiologische Parameter zur Bewertung mittels moderner technischer Ausrüstungen online zur Verfügung gestellt. Die entwickelte Auswertesoftware gestattet die Darstellung der Bewertungsergebnisse in Form von Tabellen, Grafiken und Schemata. Außerdem ermöglicht ein Archivmodus Trendanalysen.
Mit der Integration der für die geschützte Warte gelieferten Ausrüstungen in das am Standort des KKW Saporoshje betriebene Fernüberwachungssystem ist es nunmehr möglich, die wesentlichen sicherheitsrelevanten Parameter des gesamten Standortes auch bei außergewöhnlichen Ereignissen mit Hilfe moderner Technik zu erfassen und zu bewerten.

The phenomenon of sudden and irregular reversals of the Earth's magnetic field has attracted much interest in the last decades. It is known that the mean reversal rate varies from approximately zero in the Permian and Cretaceous supercrons to approximately 5 per Myr in the present. There is some observational evidence for the facts that the reversals are asymmetric in time and that the overall distribution of the field intensity has a bimodal behaviour. In an attempt to explain these features in a paradigmatic model we investigate a mean-field dynamo model of the alpha^2 type. Field saturation is guaranteed by alpha-quenching, and the influence of noise is taken into account. In order to keep the model simple and to allow for very long simulations, we choose the helical turbulence parameter alpha as spherically symmetric. We show that reversals occur in the vicinity of so-called exceptional points of the spectrum of the dynamo operator, where two real eigenvalues coalesce and continue as a pair of complex conjugate eigenvalues. We describe the reversal mechanism, and all the above mentioned features, in terms of a self-accelerating field decay, followed by the rapid recovery of the field with opposite polarity. We point out that the reversal mechanism can be attributed to the square-root character of exceptional points in the spectrum. Hence it is not restricted to our particular model but should be identifiable also in more realistic models of the Earth dynamo.

Exposing a moving electrically conducting fluid to an external magnetic field, one can measure the induced magnetic field in the exteriour of the fluid with the aim to reconstruct the flow field of the fluid. The application of two different external fields represents a certain minimum for the identification of the main topological structure of the flow. After delineating the theory of this measurement method in the framework of the integral equation approach to kinematic MHD, we report on an experiment with a propeller driven flow of InGaSn. In the basic version of this experiment, an axial and a transverse external field are produced by two orthogonal pairs of Helmholtz coils. The externally induced fields are measured by Hall sensors at 49 positions which cover the vessel rather homogeneously. By comparison with ultrasonic Doppler measurements, the method is shown to provide correct and robust results on the main topological structure and the magnitude of the flow. First results of an alternative variant using one homogeneous and one cusp field are presented. The potential advantages of using AC fields instead of DC fields to achieve a better depth resolution and to make the method applicable in rough industrial environments are also indicated.

no abstract available

Mit dem Ziel, die Migration des Radiums im Umfeld des Endlagers Morsleben zu beschreiben, wurde (1) die Löslichkeit des (Ra, Ba)SO₄ in den spezifischen Salzlösun-gen (gesättigte NaCl-Lösung, Magnesialauge) bestimmt und (2) die Adsorption des Radiums am Leinetal-Sediment (grauer Salzton) untersucht.
Die Salzlösungen bestanden aus einer 5,35 molaren NaCl-Lösung und einer quinären Lösung mit den Bestandteilen Magnesium (3,8 molar), Kalium (0,8), Natrium (0,4) als Chlorid und Sulfat. Die Lösungen wurden mit den Verfüllmaterialien (Salzbeton und Magnesiabinder) und dem Salzton voräquilibriert.
Die Bestimmung der Löslichkeit wurde nach Einstellung des Löslichkeitsgleich-gewichts (über 360 Tage) durch Bestimmung des 226Ra in der gesättigten Lösung mit-tels Flüssig-Szintillations-Messung durchgeführt. Hierzu wurde zum einen ein Überschuss (²²⁶Ra, Ba)SO₄ zur Salzlösung gebracht und zum anderen RaCl₂-Lösung zugegeben, wobei mit dem in der Lösung vorhandenen Sulfat die Ausfällung des (²²⁶Ra, Ba)SO₄ erfolgte. Die Gehalte an Barium wurden durch ICP-MS und die des Sulfats durch Ionenchromatografie ermittelt. Die vorkonditionierten Salzlösungen sind zu 95 bis 99% mit BaSO₄ gesättigt. Weniger als 5% (Ra, Ba)SO₄ lassen sich in diesen Lösungen noch zusätzlich auflösen („mobilisieren“). Die Auflösungen führen zu Ra²⁺-Konzentrationen im Bereich 1,2∙10^-8 bis 4,7∙10^-8 mol/l. Die Summenkonzentration von Ba²⁺ und Ra²⁺ liegt dann bei 1,1∙10^-7 bis 1,3∙10^-6 mol/l. Die nach der Ausfällung verbliebenen Ra²⁺-Konzentrationen sind geringer. Sie liegen im Bereich 1,2∙10^-8 bis 4,7∙10^-8 mol/l. Durch den Fällvorgang entstandene Übersättigungszustände werden abgebaut. Die hieraus folgenden Löslichkeitsprodukte liegen bei log K_sp,298 = 7,07 ± 0,21 im Falle der Auflösung und bei log K_sp,298 = 7,39 ± 0,21 bei der Ausfällung. Das Löslichkeitsprodukt für unendliche Verdünnung (-10,3 ± 0,1) [1,2] liegt um drei Größenordnungen niedriger.
Die Sorption des Radiums am Salzton wurde an Proben untersucht, die 1,5 bis 2,5 g Salzton in 15 ml Salzlösung enthielten. Die Ausgangskonzentration des Radiums in der flüssigen Phase lag bei 1,3∙10^-9 mol/l. Die ²²⁶Ra-Konzentration verringerte sich im Zeitraum von etwa 400 Tagen auf 2,7∙10^-10 bis 8,6∙10^-10 mol/l. Dabei ist die Sorption aus der NaCl-Lösung mit Verteilungskoeffizienten (R_S) von 9,6 bis 22,7 ml/g stärker als aus der Magnesialauge, für die R_S-Werte von 4,4 bis 7,5 ermittelt wurden. Der Verlauf der Experimente zeigte, dass das Sorptionsgleichgewicht in keinem Falle erreicht war. Es zeigt sich, dass alle Ionenprodukte größer sind als das entsprechende Löslichkeits-produkt, d.h. sowohl die Ausgangslösungen als auch die Lösungen nach der Sorption liegen in jedem Falle im Zustand der Übersättigung vor. Außer der ²²⁶Ra-Sorption am Grauen Salzton wurde auch festes (Ra,Ba)SO₄ ausgeschieden. Beide Mechanismen tragen im Belastungsfall zur ²²⁶Ra-Immobilisierung bei.
[1] Langmuir, D., Riese, A.C.: Geochim. Cosmochim. Acta 49 (1985) 1593.
[2] Paige, C.R. et al.: Geochim. Cosmochim. Acta 62 (1998) 15.

Förderung: BfS-Projekt: Nuklidmigration im Deckgebirge des ERAM, PSP-Nr.: 9M 212230-62.

Recently it has been demonstrated that ion irradiation of ultrathin magnetic films and multilayer structures is a versatile tool to modify the magnetic properties of these systems in laterally confined areas [1–3]. In most cases the modification of the magnetic anisotropy or the different exchange coupling contributions present in multilayered films are due to a post deposition modification of the interface structure. Depending on the enthalpy of mixing light ion irradiation may result in a roughening or a sharpening of the interface on the atomic level. Due to the local nature of the ion-solid interaction these modifications can be restricted to confined areas resulting in magnetically patterned films without a modification of the surface topography.
An alternative route to ion-driven magnetic nanostructures relies on ion implantation. By doping magnetic thin films in a percentage range with Cr or rare earth transition metals either the Curie temperature [4] or the magnetic damping behavior [5] can be adjusted. In combination with focused ion beam techniques magnetic nanostructures can be written directly into the film structure. Applications in the area of patterned storage media are evaluated currently.
The third approach makes use of ion beam synthesis of magnetic nanoparticles in a nonmagnetic single crystalline oxide host matrix [6]. Magnetic ions are implanted into the host material which leads to a supersaturation of these ions. During implantation at elevated temperatures or a succeeding annealing step the metallic precipitates grow and form, depending on their size and structure, ferromagnetic nanoparticles.
The current status of these different techniques with respect to magnetic nanostructure formation will be reviewed.
References:
[1] C. Chappert, H. Bernas, J. Ferre, V. Kottler, J.-P. Jamet, Y. Chen, E. Cambril, T. Devolder, F. Rousseaux, V. Mathet, H. Launois, Science 280, 1919 (1998).
[2] J. Fassbender, D. Ravelosona, Y. Samson, J. Phys. D: Appl. Phys. 37, R179 (2004).
[3] J. McCord, T. Gemming, L. Schultz, J. Fassbender, M. O. Liedke, M. Frommberger, E. Quandt, Appl. Phys. Lett., 86, 162502 (2005).
[4] L. Folks, R. E. Fontana, B. A. Gurney, J. R. Childress, S. Maat, J. A. Katine, J. E. E. Baglin, A. J. Kellock, J. Phys. D: Appl. Phys. 36, 2601 (2003).
[5] S. G. Reidy, L. Cheng, W. E. Bailey, Appl. Phys. Lett. 82, 1254 (2003).
[6] C. W. White, S. P. Withrow, J. M. Williams, J. D. Budai, A. Meldrum, K. D. Sorge, J. R. Thompson, L. A. Boatner, J. Appl. Phys. 95, 8160 (2004).

A measuring system based on potential difference probes is presented which makes possible the determination of very small values of the velocity in liquid metal flows. On the one hand, a large size of the sensor and a high induction of the static measuring field, respectively, and resolution on the other hand has always been a compromise. These opposite demands were countered with state of the art analog instrumentation, and by avoiding meticulously potential sources of error such as induced noise and the even more detrimental thermoelectricity. The present paper instances the flow driven by a rotating magnetic field, in which the scaling of velocity versus strength of the driving electromagnetic force was examined. The measurement of the transition from the Stokes regime to a laminar boundary one demonstrates the obtained improvement of the velocity resolution by about two orders of magnitude.

The formation of colloids during the weathering of phyllite was investigated by exposing ground phyllite to water. Secondary mineral colloids of 10E+1 to 10E+2 nm were detected in significant concentrations. At pH of about 8.5, the solution concentration of these colloids reached up to 10 mg/L (however, acidification to pH 4.0 prevented the formation of the colloids). The mineralogical composition of the secondary mineral colloids is assumed to be a mixture of ferrihydrite, aluminosilicates, amorphous Al(OH)3 and gibbsite with possible additions of iron silicates and iron-alumino silicates. The colloids were stable over longer periods of time (at least several weeks), even in the presence of suspended ground rock. Direct formation of iron-containing secondary mineral colloids at the rock-water interface by the weathering of rock material is an alternative to the well-known mechanism of iron colloid formation in the bulk of water bodies by mixing of different waters or by aeration of anoxic waters. This direct mechanism is of relevance for colloid production during the weathering of freshly crushed rock in the unsaturated zone as for instance crushed rock in mine waste rock piles. Colloids produced by this mechanism, too, can influence the transport of contaminants such as actinides because these colloids have a large specific surface area and a high sorption affinity.

The effect of flux and Ar pretreatment during ion beam nitriding of austenitic stainless steel is investigated. The ion energy and temperature were 1.2 keV and 400°C, respectively, the ion current densities were 0.5, 0.67, and 0.83 mA∙cm-2. The nitrogen distribution profiles were measured using nuclear reaction analysis. The obtained nitrogen distribution profiles were analyzed by the means of the nitrided layer thickness evolution due to sputtering and diffusion and the model of trapping-detrapping. Both approaches could fit well the experimental results, however different diffusion coefficients have to be assumed for each current density. In addition, the diffusion coefficients are higher for higher current densities. On the other hand, it is shown that the pretreatment with Ar ion beam at nitriding temperatures produces only a thermal effect without any other influence on the following nitrogen diffusion. The results are discussed in relation with surface and temperature effects and atomic transport mechanisms.

During the last decades, the focused ion beam (FIB) became a very useful and versatile tool in the microelectronics industry, as well as in the field of research and development. For special purposes like writing ion implantation or ion mixing in the µm- or sub-µm range ion species other than gallium are needed. Therefore alloy liquid metal ion sources (LMIS) were developed. The energy distribution of the ions from an alloy LMIS is one of the determining factors for the performance of a FIB column. Different source materials like Au73Ge27, Au82Si18, Au77Ge14Si9, Co36Nd64, Er69Ni31, and Er70Fe22Ni5Cr3 were investigated with respect to the energy spread of the different ion species as a function of emission current, ion mass and emitter temperature. The alloy LMIS`s discussed above have been used for writing implantation to fabricate sub-µm pattern without any lithographic steps. A Co-FIB is applied for the ion beam synthesis of CoSi2 micro-structures down to 30 nm. Furthermore, a broad spectrum of ions was employed to study the sputtering process depending on temperature, angle of incidence and ion mass on a couple of target materials. Especially this direct patterning was used for the fabrication of various kinds of micro-tools as well as recently for nano-holes in AFM cantilever tips.
Running and future activities will be discussed which are focused to the preparation and investigation of plasmonic structures, like nano-wires and nano-chains in the sub-micron scale down to a few ten nanometers.

Electromagnetic levitation is a well-known technique for container-less processing of molten metals and their alloys. In experiments, the levitated bodies often exhibit various kinds of instabilities. In the simplest case of static instability, a small displacement of the body from its equilibrium position can cause the failure of levitation. In some other cases the levitated bodies are observed to start to oscillate with growing amplitude or rotate with increasing rate that also can result in failure of levitation. This work presents a theoretical study of oscillatory and rotational instabilities of a solid sphere levitated electromagnetically in 3D coil systems. We have developed a combined numerical and analytical approach to analyze the static and dynamic stability of a sphere depending on the AC frequency and configuration of the magnetic system which is modeled by linear current filaments. First, we calculate numerically the magnetic vector potential in a number of points on the surface of the sphere and use Legendre and fast Fourier transforms to find the expansion of the magnetic field in spherical harmonics about the center of the body. Second, the numerically obtained expansion coefficients are substituted into the analytic solution describing the perturbation of the total electromagnetic force depending on both the displacement of the body from its equilibrium position and its velocity of motion. Thus we find the effective electromagnetic stiffness coefficients which characterize the frequency of small-amplitude oscillations of the body. Each equilibrium position is characterized by three mutually orthogonal principal directions of oscillations and three corresponding principal stiffness coefficients which all have to be positive for the equilibrium state to be statically stable. 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 friction coefficients which are usually small are found by classical perturbation theory approach. For the spin-up instability we propose a new theoretical model applicable for arbitrary field configurations. This model yields three critical AC frequencies for rotations around three mutually orthogonal principal axis found respectively as eigenvalues and eigenvectors of the effective electromagnetic friction coefficient matrix. Our approach may be useful for analysis and design of electromagnetic levitation systems.

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 α-Fe volume fraction by measuring the magnetic moment in a vibrating sample magnetometer (VSM) resulted in a distinct reduction of the α-Fe volume fraction in samples with high crucible rotation frequencies. Furthermore, a new category of experiment has been started where a tailored magnetic field was applied in order to study the microstructure evolution due to an enhancement or suppression of the melt convection by additional alternating magnetic fields.

Für die Untersuchung von mehrphasigen Strömungen steht am Forschungszentrum Rossendorf eine Röntgenanlage mit einem zweidimensionalen Bildaufnehmer und einer eindimensionalen schnellen Detektorzeile zur Verfügung. In dieser Arbeit soll die Eignung dieser Anlage zur Bestimmung der lokalen Gasphasenverteilung in einem begasten chemischen Rührkesselreaktor, der aus der Verfahrenstechnik her bekannt ist, untersucht werden. Dazu wird zunächst die Signalcharakteristik des Aufnahmesystems untersucht, um die zu erwartende Genauigkeit der tomographischen Messung beurteilen zu können. Ein Algorithmus für die Rekonstruktion von zwei- und dreidimensionalen Projektionsdaten wurde implementiert. Mit einem Phantom wurde die quantitative Genauigkeit der Bestimmung zeitgemittelter Gaspahsenanteile überprüft. Zur Korrektur der Strahlaufhärtungsartefakte wurde eine Kalibriermethode entwickelt, mit der es möglich ist, die Gasphasenanteile direkt aus den bestimmten Schwächungskoeffizienten zu bestimmen. Es konnte gezeigt werden, dass die quantitative Genauigkeit der Kegelstrahl-Tomographie durch den hohen Anteil an Streustrahlung beeinträchtigt ist. Mit der schnellen Detektorzeile wurden schnell rotierende Objektstrukturen sichtbar gemacht.

Bacteria in nature do not usually occur as single individual bacterial cells but rather in large communities of bacteria glued together by Extracellular Polymeric Substances (EPS). Such aggregates are called biofilms. They may significantly influence the transport of heavy metals in the geosphere by changing the geochemical conditions within the biofilm or simply by adsorption onto biological surfaces. For these biofilm studies we generate thick biofilms in a rotating annular bioreactor that provides a well mixed liquid phase, turbulent flow and constant shear fields [1]. For biofilm sampling, removable microscopic slides with affixed mineral platelets are placed in recessed slots on the outside of the inner cylinder. These slides can be removed via a port in the top of the reactor. The nutrient solution includes a bacteria cocktail (Pseudomonas stutzeri, Pseudomonas fluorescens, Flavobacterium aquatile, Bacillusus thuringiensis) was pumped through the reactor at 0.02 mL per minute into the base of the reactor, triggering a circulation from bottom to top at room temperature. After the experiment the mature confluent biofilm was removed from the reactor and the biofilm thickness of approximately 150 µm was determined by using Confocal Scanning Laser Microscopy (CLSM).

To measure the electrochemical conditions such as redox potential and/or pH in situ within the biofilm and in the surrounding bulk solution an experimental setup has been developed. Previous work has been carried out by means of several sensors, mainly focused on the interface basis material/biofilm to investigate microbial induced corrosion [2]. Because of low lateral dimensions for an analytical study of concentration profiles in biofilms only micro sensors with extremly small diameters are applicable. It is essential that the biofilm is not affected by the use of the grooved sensor and that the front surface exclusively acts sensitively. In our experiments an investigation concept is introduced, where the electrochemical micro sensor forms a unit with an integrated micrometer screw (advantage: not rotable spindle). In this way during the measurement the micro sensor can be moved in the biofilm in µm-steps vertically. The sensor systems to determine the redox potential and the pH value consist of indicator electrode and reference electrode, which are arranged sidewise and possess a ceramic diaphragm. The applied redox sensors have been developed in different constructions. On the one hand glass coated Pt sensors with an outer diameter of 300 µm have been constructed; on the other hand we applied micro sensors covered with wax and resin having an outer diameter of 120 µm. In both cases the diameter of the sensitive area amounts to 80 µm.
In our experiments we used the newly constructed micro sensors to determine the redox potentials and pH values within the biofilm generated in the rotating annular bioreactor. In the near future it is planned to develop micro sensors for measuring concentration gradients of other substances such as Cl- and NO3- [3], too.

Ion implantation and subsequent thermal annealing are the standard processes for the electrical doping of semiconductors. Ion implantation is characterized by fast ballistic processes which lead to the deposition of the implanted atoms and to displacements of the target atoms. After the fast relaxation of the displaced atoms a (meta)stable defect structure is formed. Long-term thermally activated processes, especially during thermal annealing, cause defect reduction, rearrangement, and migration. In my talk I will show that computer simulations on the atomic level are a useful tool for the theoretical description of the different physical processes occurring during ion implantation and thermal annealing. The ballistic processes are simulated by the Crystal-TRIM code which is based on the binary collision approximation (BCA). This code is part of different process simulators. Classical molecular dynamics (MD) simulations are employed to investigate defect migration over a period of 10 - 100 ns. The defect diffusivity as well as the microscopic migration mechanisms are studied. A combination of BCA and MD simulations is used to determine the complex defect morphology after the fast relaxation processes are finished. This method allows the effective calculation of the total number and the depth distribution of different defect species (e.g. isolated vacancies and self-interstitials as well as more complex defects) formed on average per incident ion.

We describe the design and implementation of a broad-gain and low-threshold (Jth = 860 A/cm2 at 8 K) quantum-cascade laser based on strain-compensated In0.73Ga0.27As-AlAs on InP. Laser emission between 3.7 and 4.2 um is achieved because of the very large Gamma-valley conduction band discontinuity with narrow quantum wells, allowing large intersubband energy differences. Furthermore, the design inhibits carrier loss from the upper lasing state into the continuum even at elevated operating temperatures, resulting in room-temperature operation. Laser operation in pulsed mode is achieved up to a temperature of 330 K with maximum single-facet output peak powers of 6 W at 8 K and 240 mW at 296 K. The temperature coefficient T0 is 119K. The 30-period structure exhibits an external differential efficiency of 13 (40% per period) at low temperatures and a maximum wall-plug efficiency of 24%. The lasing transition takes place from several upper states to several lower states, resulting in a relatively broad (300 cm-1) gain spectrum and could allow the design to be used in external tuning configurations.

At the radiation source ELBE (Electron accelerator producing a quasi-continuous electron beam of high Brilliance and low Emittance) of the FZR a neutron source is being constructed. The electron beam with energies of up to 40 MeV and pulse frequencies of up to 13 MHz is converted into sub-ns neutron pulses by stopping the electrons in a heavy (high atomic number) radiator with a small volume. The neutrons are generated by bremsstrahlung photons through (gamma,n)-reactions. The energy deposition of the electron beam in the small neutron radiator is that high that any solid material would melt. Therefore, the neutron radiator consists of liquid lead flowing through a channel of 11.2×11.2 mm² cross section. From the thermal and mechanical point of view molybdenum turned out to be the most suited channel wall (thickness 0.5 mm) material. Depending on the electron energy and current up to 20 kW power will be deposited into a radiator volume of 3 cm³. This heating power is removed through the heat exchanger in the liquid lead circuit. Typical flow velocities of the lead are in the range of 2 m/s in the radiator section. The electrons escaping from the radiator and the secondary radiation are dumped to a large extent in an aluminum beam dump. To reduce the radiation background in the measuring direction, the neutrons are decoupled from the radiator at an angle of 90° with respect to the impinging electrons.
Particle transport calculations were carried out to determine the volumetric heat generation in the liquid lead, in the channel wall and in the Al beam dump. Subsequent fluiddynamic and thermo-mechanic finite element analyses are performed to proof the mechanical integrity of the radiator channel. It could be shown that the equivalent plastic strain of the radiator channel can be kept sufficiently small, i.e. less than 1 %. Thermal analyses of the water cooled Al beam dump proved, that the maximum temperatures do not exceed 200 °C, thus a sufficient distance from the melting point is maintained.

Time-resolved laser-induced fluorescence spectroscopy (TRLFS) was applied to study the surface of a depleted uranium (DU) disc immersed in a Ca-phosphate solution for 182 days. The weathering solution contained 2.49 · 10^-3 M calcium and 1.05 · 10^-3 M phosphate, representing enhanced pore water concentrations of agricultural soils. The TRLFS results clearly show that meta-autunite, a U(VI) phosphate, has formed during low temperature alteration of the DU disc. This secondary U(VI) mineral phase was identified using a fingerprinting procedure by comparing it with TRLFS-spectra from an in-house U(VI) TRLFS database, including U(VI) oxides, U(VI) hydroxides, U(VI) sulphates and U(VI) phosphates. Its TRLFS spectrum is characterized by six fluorescence emission bands at 486, 501, 522, 546, 573, and 601 nm, and two fluorescence life times of 50 ± 5 ns and 700 ± 25 ns.

Ion irradiation is a versatile tool to modify magnetic properties like anisotropy or exchange coupling in thin magnetic films and multilayers on a local scale. The presentation will review the present status of magnetic anisotropy and domain patterning in amorphous CoFeSiB films and the ion irradiation induced phase transformation in FePt nanoparticle systems.

Review about the present status regarding magnetization dynamics investigations of magnetic tunnel junctions and exchange bias systems.

The paper contributes to the advanced CFD simulation of subcooled boiling in forced convective flows, with special attention given to the momentum transfer between continuous liquid and vapour bubbles. A wall boiling model, implemented in CFX-5 (Egorov, Menter, 2004) and based on the two-fluid approach, is used here together with the state-of-the-art model correlations for the non-drag forces, available in CFX-5. The paper describes the main concepts of modelling mass, heat and momentum transfer between the phases. Published experimental results for flow in a pipe are used for the model validation.
The model is applied to the simulation of subcooled boiling flow in a hot channel of a fuel rod bundle. Influence of mixing vanes, attached to the spacer grids of fuel assembly in order to enhance the heat transfer, is taken into account. The simulation results demonstrate the capability of the model to estimate the effects of geometrical design on the flow physics.

High energy, high dose Ge ion implantation in silicon results after rapid thermal annealing in a defect structure which shows a stacked structure consisting of sequential layers of vacancy-type defects (cavities) and interstital-type defects (dislocation loops). This structure is in contrast to the predictions of the so called +1 model. The conditions for the formation of such defects and the limits of the +1 model are discussed.

Ion implantation is a well-known standard procedure in electronic device technology for precise and controlled introduction of dopants into silicon. However, damage caused by implantation acts as effective gettering zones, collecting unwanted metal impurities. This effect can be applied for "proximity gettering reducing the concentration of impurities in the active device region. In this study the consequences of high-energy ion implantation into silicon and of subsequent annealing were analysed by means of secondary ion mass spectrometry (SIMS). Depth profiles were recorded of such impurities as copper, oxygen and carbon to obtain information about their gettering behaviour. The differences in impurities gettering behaviour were studied as a function of the implanted ions, P and Si, of the implantation dose and annealing time at T=900degreeC. Besides impurities gettering at the mean projected range (Rp) of implanted ions, Rp-effect, defects at around half of the projected ion range, Rp/2-effect, and even in some cases beyond Rp, trans-Rp-effect, have also been found to be effective in gettering of material impurities.

Der Vortrag gibt einen Überblick über die Anwendung der Computertomografie mit Röntgen- und Gammastrahlung bei der Untersuchung von Mehrphasenströmungen in hydrodynamischen Maschinen sowie thermohydraulischen und verfahrenstechnischen Anlagen.

The Master Curve (MC) approach of defining reference transition temperature, T0, has been standardized in ASTM Standard Test Method E 1921. This approach has been gaining acceptance in the codes for reactor pressure vessel (RPV) integrity assessment throughout the world. T0 is calculated from a data set of J-integral based fracture toughness values measured in the lower ductile-to-brittle transition region. This direct measurement approach is preferred over the correlative and indirect methods used in the past to assess irradiated RPV integrity. The basic MC approach for analysis of fracture test results is intended for macroscopically homogeneous steels with a body centred (ferritic) structure only. In reality, the steels in question are seldom fully macroscopically homogeneous.
The fracture toughness values measured on Charpy size SE(B) specimens of base metal from the Greifswald Unit 8 RPV show a large scatter. The basic MC evaluation following ASTM E1921 supplies a MC with many fracture toughness values which lie below the 1% fracture probability line. Thus, some inhomogeneity may still exist in the data set. In this paper, new comparatively simple extensions of the MC are applied on these fracture toughness data. The structural integrity assessment procedure SINTAP contains a lower tail modification of the MC analysis. A random estimation method describes the fracture toughness distribution following a Gaussian distribution with infinite quality steps oscillating around a normal distribution. With the application of the SINTAP modification and the random estimation higher reference temperatures were estimated in comparison to the basic MC approach according to ASTM E1921.

This work is part of our efforts to develop chelating agents for stable binding and easy conjugation of ¹⁸⁸Re to biologically interesting structures. Keeping in mind the high in vivo stability of [¹⁸⁸ReO(DMSA)₂]^- [1] we want to exploit this coordination system for the design of ¹⁸⁸ReO(V) chelates which are stable towards re-oxidation to perrhenate and towards ligand exchange under all conditions of radiopharmaceutical procedures and applications.
The new type of tetradentate ligand has been synthesized by bridging two molecules of dimercapto-succinic acid (DMSA) with an alkylene triamine chain. The resulting stereo-isomeric tetrathiolato S₄ ligand 1 forms five-coordinate oxorhenium(V) complexes by ligand exchange reaction of NBu₄[ReOCl₄] in methanol. Without addition of base the compounds will be isolated as “betain”, [ReO(S₄)], with the protonated nitrogen of the bridge as internal “counter ion”.
The activated BFCA 2 enables easy linking of biomolecules containing a terminal amino group. Prototypic model conjugates with tripeptides have been identified in non-radioactive form by electrospray mass spectrometry.
The ¹⁸⁸Re labelling procedure runs fast, in good yields and under mild conditions, making the new complexes interesting as a further access to stable ¹⁸⁸Re radio-therapeutics.

We are now developing a novel molecular modelling of Re and Tc complexes combined with the molecular mechanics and the molecular dynamics for estimating the partition coefficient of these complexes between water and 1-octanol (LogP). The MM potential parameters developing with MOMEC program were fitted to all relevant X-ray crystal structures of [TcO(DMSA)₂]^- and [ReO(DMSA)₂]^- (DMSA: dimercaptosuccinic acid). The MM potential parameters were transferred to that in the MD program, MASPHYC. The MD simulations also indicate that a quantitative structure property relationship (QSPR) is obtained, which relates the internal energy difference between the Tc/Re-DMSA complexes in water phase and that in 1-octanol phase with experimental LogP value.

The high-acceptance dielectron spectrometer (HADES) has become operational at GSI Darmstadt. The primary physics programme is to study in-medium changes of light vector mesons via their e⁺e^- decays. The methods of dilepton signal reconstruction in the HADES spectrometer and preliminary dilepton spectra for C+C reactions at 2 A GeV are presented. In the signal reconstruction, particularly important is the reduction of the huge combinatorial background arising from e⁺e^- combinations of leptons from gamma conversion in materials with other leptons in the collision. The purity of the dilepton signal is determined by using GEANT simulations with the full HADES geometry and a realistic detector response.

Various magnetic properties like the saturation magnetization, the Curie temperature, the coercivity and the magnetic damping behavior can easily be modified by means of ion irradiation and implantation. In combination with focused ion beam techniques even a pure magnetic patterning without changing the surface topography becomes feasible. A magnetic domain pattern can be imprinted by using ion irradiation in an applied magnetic field. Thus doping of magnetic materials opens a route to a new class of artificial magnetic materials with adjustable magnetic properties.
Here, as an example, we report on the tailoring of the magnetic properties of Permalloy (20 nm Ni81Fe19) by means of 30 keV Cr implantation. Due to the doping the Curie temperature of the Permalloy film decreases with the implantation fluence and drops below room temperature at an averaged Cr concentration of about 7 at-%. Also the saturation magnetization and the uniaxial anisotropy decrease. However the magnetic damping behavior of Cr implanted Permalloy films is strongly enhanced which is due to a combination of structural changes and alloying effects in the thin film. In order to clarify the basic mechanism for the enhancement the chemical and structural contributions to the magnetic damping parameter are separated by a comparison to results of 30 keV Ni implantation.

The control of magnetic properties and anisotropy in ferromagnetic thin films is of importance for many applications in spin electronics. Usually the uniaxial anisotropy in ferromagnetic alloys is set by applying a magnetic in-plane field during thin film deposition or adjusted by magnetic field annealing. In addition to temperature treatment, the alteration of magnetic properties in magnetic thin films by ion irradiation has gained increasing attention in recent years. However, most of the experiments focus on magnetic sandwiches or multilayers, where the magnetic properties depend strongly on the interface structure [1].
Here, we describe how to modify and tune the magnetic anisotropy axis and strength in single layer amorphous FeCoSiB soft magnetic films by ion irradiation with Co- and He-ions locally. Depending on the fluence and field angle during irradiation the uniaxial anisotropy can be realigned in the case of He-ion irradiation [2]. For Cobalt-implantation an increase of uniaxial anisotropy field with increasing fluence by more than a factor of two relative to the as-deposited anisotropy value (from Hk  15 Oe to Hk  40 Oe) is found. The ion treatment is used to “anneal” the films locally and thus to tailor the magnetic properties laterally. Periodic magnetic structures, consisting of regions of alternating anisotropy axis and strength, are generated using photo-lithographic processing. For that reason the films are partially masked with photo resist, patterned by optical lithography, and then irradiated with ions. Depending on the processing conditions and the size of the magnetic patterning, varying from mm in size down to sub-micrometer patterns, different kind of magnetic structures develop. The magnetization is modulated in accordance with the induced lateral anisotropy distribution. However, the domain walls do not align with the boundaries of the structures. Different types of periodic but rather complicated domain patterns are generated under different applied field conditions. The local change of magnetic properties due to the mixed anisotropy is limited by the micromagnetic feature size, not by the structural feature size. By structuring with a feature size smaller than the magnetic length scales, materials with novel magnetic properties are designed.

References
[1] J. Fassbender, D. Ravelosona, and Y. Samson, J. Phys. D: Appl. Phys. 37, R179 (2004).
[2] J. McCord, T. Gemming, L. Schultz, J. Fassbender, M.O. Liedke, M. Frommberger,
E. Quandt, Appl. Phys. Lett. 86, 162502 (2005).

Using a mean-field dynamo model with a spherically symmetric helical turbulence parameter alpha which is algebraically quenched and disturbed by additional noise, the basic features of geomagnetic polarity reversals are shown to be generic consequences of the dynamo action in the vicinity of exceptional points of the spectrum. This simple paradigmatic model yields long periods of constant polarity which are interrupted by self-accelerating field decays leading to asymmetric polarity reversals. It shows the recently discovered bimodal field distribution, and it gives a natural explanation of the correlation between polarity persistence time and field strength. The dependence of the persistence time on the noise shows typical features of coherence resonance.

We report a systematic study of high-magnetic-field specific heat and resistivity in single crystals of CeCoIn5 for the field oriented in the basal plane (H parallel to ab)of this tetragonal heavy fermion superconductor. We observe a divergent electronic specific heat as well as an enhanced A coefficient of the T-2 law in resistivity at the lowest temperatures, as the field approaches the upper critical field of the superconducting transition. Together with the results for field along the tetragonal axis (H parallel to c), the emergent picture is that of a magnetic-field-tuned quantum critical point which exists in the vicinity of the superconducting H-c2(0) despite a variation of a factor of 2.4 in H-c2(0) for different field orientations. This suggests that an underlying physical reason exists for the superconducting H-c2(0) to coincide with the quantum critical field. Moreover, we show that the recovery of a Fermi-liquid ground state with increasing magnetic field is more!
gradual, meaning that the fluctuations responsible for the observed quantum critical phenomena are more robust with respect to magnetic field, when the magnetic field is applied in plane. Together with the close proximity of the quantum critical point and H-c2(0) in CeCoIn5 for both field orientations, the anisotropy in the recovery of the Fermi-liquid state might constitute an important piece of information in identifying the nature of the fluctuations that become critical.

Um die bisherigen Untersuchungen zur Strahlenschaden-Akkumulation in Silizium durch Ionen-Implantation auf sehr hohe Ionenstromdichten zu erweitern, wurden (100) Si-Proben mit 600 keV Si⁺ -Ionen mit einer Stromdichte von 360 µA/cm² (2.2 x 10¹⁵ Si/s/cm²) bei Substrattemperaturen von 50°C bis 400°C bis zu einer Fluenz von 10¹⁸ Si/cm² implantiert. Die Implantation erfolgte mit dem Bochumer supraleitenden Ionenprojektor [J. Meijer, A. Stephan, Microelec. Eng. 41/42 (1998) 257]. Die Schädigung des Si-Kristalls in den implantierten Flächen von 185 µm Durchmesser wurde mit Hilfe der RBS/Channeling-Methode (3 MeV He-Ionen) an der Rossendorfer Mikrosonde untersucht. Für diese Messungen wurde eine zweite Messkammer mit einem 4-Achsen-Goniometer hinter der sonst zur Ionenstrahlanalytik genutzten Messkammer installiert. Die beobachtete deutliche Abhängigkeit der Strahlenschaden-Akkumulation bis hin zur kompletten Amorphisierung der bestrahlten Schicht von der Substrattemperatur und Fluenz wird diskutiert.

From the beginning of BWR technology it was realized that a BWR can become unstable under particular circumstances caused by a feedback between the thermal-hydraulics and the neutronics. This instability can result in oscillations of the power and the flow rate, which is an unwanted phenomenon.

The NACUSP project addresses the stability issues in current and future BWRs by expanding the basic understanding through well structured testing and analyses of experimental data, by analyses of existing operational stability data from three different European reactors (Forsmark, Leibstadt, Cofrentes), by applying this knowledge via efficient models and validated computer codes to operating reactors and reactor designs, and by developing general guidelines for reactor operation and design on how to avoid BWR instabilities.
In order to cover the parameter range as efficiently as possible, four existing, sophisticated thermohydraulic test facilities (CLOTAIRE, DESIRE, CIRCUS and PANDA) have been selected. To extrapolate from small-scale separate-effect testing conditions to full-scale integral reactor conditions one needs to rely on the performance of computer codes (MONA, ATHLET , RAMONA-3(-5), LAPUR-V, DWOS, FLICA, SAPHYR, RELAP5/MOD3,TRAC-BF1). For specific items CFD codes are applied as well. Within NACUSP a linear stability analysis tool is developed.
Four of the three experimental facilities within the project have yielded a large, unique database.
Natural-circulation and stability characteristics at nominal pressure were collected from extensive experiments at the DESIRE facility. Low-pressure characteristics were measured at the PANDA (large scale) and the CIRCUS (small scale) facility.
The phenomena encountered (flow rate and stability trends, the occurrence of flashing induced oscillations) can be explained from basic physical models and are now well understood.
Several thermal-hydraulic codes have been benchmarked—some successfully, others with limited success—against these data.
The CLOTAIRE (nominal pressure, large scale) facility has been modified and is now ready for experiments.
Nuclear power plant data from three BWRs (Cofrentes, Forsmark and Leibstadt) have been collected. A very complete set of reactor data was obtained from measurements at the Leibstadt BWR during cycle-19. During this test, which was performed within the NACUSP project, safe reactor operation was demonstrated at extreme conditions, covering the entire power-flow map.
State-of-the-art, coupled thermal-hydraulic—neutronics codes are being benchmarked on these data.
The development of an easy to use, rapid and efficient analytical tool for parametric studies on BWR stability is in progress.
The last year of NACUSP will be devoted to finalising the before mentioned activities and to use the tools developed and the experience obtained for developing general guidelines for designing and operating BWRs.

This work is concerned with the stabilisation of both the bulk liquid metal flow and the free surface shape in inductively heated melts. Steady magnetic fields of different orientation were used to damp fluctuations generated by an external alternating magnetic field as it is typical for an induction heater. This superposition of a driving alternating with a braking steady magnetic field was investigated experimentally at a low temperature isothermal model utilising a rectangular fluid volume in an induction--furnace--like setup fed by a current of intermediate frequency. Local velocity measurements in the liquid metal revealed quite different damping characteristics for steady fields aligned either normal or parallel to the melt surface.

Due to the sensitive detection of light fluorescence properties often are used to study the interaction of metal ions with various ligands. Several actinides as UO2++, Am3+ and Cm3+ show intense fluorescence properties and can be detected at very low concentrations. However, for neptunium and plutonium fluorescence properties are not known up to now. Nevertheless many organic ligands present in the environment as humic substances and wood degradation products fluorescence after excitation. To study the interaction of non-fluorescent actinides with these organic ligands fs-laser pulses were used for excitation. The light emitted from the ligand is observed by ICCD-cameras in a picosecond to nanosecond time scale. Using this TRLFS system the interaction of Np(V) with several small organic ligands was studied. As examples results will be presented for the interaction of Np(V) with 2,3-dihydroxybenzoic acid and 4-hydroxy-3-methoxybenzoic acid. For the interaction of uranyl with 2,3-dihydroxybenzoic acid a complex formation with the phenolic OH groups was found. In the case of Np(V) the interaction is very different. At pH values below 5.0 only the interaction with the carboxylic group can be observed and the interaction with the phenolic group starts at higher pH. This results in a 2:1 complex. Studies of the complex formation of Np(V) with 4-hydroxy-3-methoxybenzoic acid at pH 6 showed also a 2:1 complex, demonstrating the Np(V) interaction with the carboxylic group and the phenolic OH group.
Nevertheless the fluorescence spectra did not show in any case a single component spectrum. This may be connected to other reactions of the non-complexed ligand. Therefore the influence of excited state reactions of the ligand will be discussed.

The neutron-deficient nucleus 68AS was populated at high spin in two experiments using the reaction 40Ca(32S, 3pn) at beam energies of 105 and 95 MeV. A self-supporting and a gold backed, highly enriched 40Ca target were used. Gamma rays were detected with the EUROBALL array, combined with the charged-particle detector array EUCLIDES and the Neutron Wall. The 68As level scheme was considerably extended, especially at negative parity and many previous spin-parity assignments were confirmed or rejected. The total-Routhian-surface (TRS) calculation find shape coexistence and γ softness for the negative- and positive-parity states, respectively

The realization of an efficient Si based light emitter or even a laser would be a breakthrough for micro- and optoelectronics, since it would allow for full integration of optical functionality on a chip. Being an indirect semiconductor, Si is an inherently bad light emitter, yet recently some remarkable progress has occurred. Light emitting devices based on Si pn junctions, Si MOS structures doped with rare earth elements, or containing Si nanoclusters have been demonstrated. I will present our work in some of these areas.

We have fabricated Si light emitting pn diodes (LED) by high-dose boron implantation into n-type Si. The free-exciton electroluminescence (EL) increases with temperature, reaching wall-plug efficiencies of more than 0.1% at room temperature. A model which is based on excitons localized near nanoscale boron doping spikes can explain the EL dependence on current and temperature as well as an electrical bistability occurring at low temperature. We have integrated such structures into a microcavity with a buried metallic CoSi2 bottom mirror and a Si/SiO2 Bragg mirror on top, representing the first electrically driven resonant-cavity LED based on silicon. This resonant-cavity LED exhibits significant spectral narrowing, consistent with the quality of the cavity.

A second class of devices are metal-oxide-semiconductor (MOS) structures, which are implanted with various rare-earth elements. Here the emission results from 4f intrashell transitions, impact excited by hot electrons in the oxide. The most widely studied example is the Er3+ ion emitting at the telecom wavelength of 1.54 microns. We have also fabricated a Gd doped MOS structure, which emits in the deep UV at 316 nm. This is, to our knowledge, the first Si based UV light emitter, with many potential applications in areas such as bio-sensing. Finally we demonstrate a bright-green MOS light emitter based on Tb ions implanted into the oxide, which could find applications in low-cost micro-displays.

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. 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 and the formation of the CaUO2(CO3)32+ - complex is very limited. 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 increase in the series Mg, Ca , Sr and Ba. The formation of Me2UO2(CO3)3 – complexes for Mg, Sr and Ba occurs only in a small concentration range and the formed complexes tends to precipitate. 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 and first results will be presented.

The PTBD technique is based on the theory of photothermal spectroscopy which describes the conversion of absorbed energy of a light beam incident on a sample into heat by nonradiative de-excitation processes [1]. The distribution of this induced, exponentially decaying, thermal field is given by the solution of the heat equation with a source term of a Gaussian beam [2]. In typical PTBD experiments the magnitude of the signal is proportional to the slope of the induced displacement of the sample surface. Additionally, it can be shown that there is a direct proportionality between the observed signal and the absorption coefficient of the material under investigation [2]. Therefore, a direct access to absorption spectra is provided [3]. In PTBD spectroscopy generating and detection of thermal waves occur generally in the sub-millimeter length scale. Therefore, PTBD provides spatial information about the surface of the sample and permits imaging and/or microspectrometry.
We investigated distinct patterns of O+-implanted and untreated regions at the surface of germanium substrates serving as model systems. This was achieved by special stainless steal masks in front of the substrate during the implantation processes. The different areas of the surfaces can be distinguished by optical absorption (i.e. the amplitude of the deflection signal) at λ = 11.6 µm of the germaniumoxide produced during ion implantation.
The dimensions of the masks were fully recovered by recording one dimensional absorption profiles of the substrate’s surfaces using a high resolution positioning system. Since the minimum dimensions of the implanted pattern was 30 µm the spatial resolution obtained is near the diffraction limit of the infrared pump beam.

References
[1] A. Rosencwaig and A. Gersho, J. Appl. Phys. 47 (1976) 64.
[2] M.A. Olmstead et al., Appl. Phys. A 32 (1983) 141.
[3] W. Seidel et al., Eur. Phys. J - Appl. Phys. 25 (2004) 39.

The effect of magnetic fields on momentum and mass transfer in electrochemical processes has been studied by means of Digital Particle Image Velocimetry (DPIV), shadowgraphy and mean current density measurements.

Chronoamperometric copper electrolysis was carried out in a small electrolytic cell (29x46x6 mm) made mainly from PMMA. The sidewalls forming the vertical electrodes consist of thin copper plates behind which permanent magnets could be fixed. The Lorentz force generated from the faradaic currents and the permanent magnets field has been always parallel to the electrodes. Depending on the orientation of the magnets, downwards or upwards directed Lorentz forces could be generated.

The moderate magnetic field of permanent magnets placed behind the electrodes, although its action is limited to the vicinity of the electrodes, is able to promote convection in the whole cell. Flow structures measured by DPIV compare very well with the patterns of the concentration field given by shadography. Steady state limiting current densities as well as initially instationary current density values can be explained by the corresponding velocity measurements. It will be shown that the interplay of Lorentz and buoyancy forces is substantial for the resulting flow structure.

Experimentally determined kinetic gypsum dissolution by pure water has been used as a data set to investigate different model concepts for mineral dissolution integrated into the four different couple codes. All concepts include a kinetic approach, but with different detail of parameter dependency. In the case of gypsum dissolution, only those concepts, which include an explicit dependency on the actual gypsum mineral surface area, gave good agreement with the measurements. Concepts which do not include such a dependency could not reproduce the measurements. More complex rate equations were necessary to describe the experiments. Nevertheless, the accessible mineral surface area, which decreases during the dissolution, was not directly measurable in the experiment and is so far a model parameter, albeit the one which reproduced measured Ca2+ in solution. Solution chemistry measurements forced the kinetic dissolution model to include a temporal evolving accessible mineral surface area to correctly describe the dissolution experiment.

The DYN3D code allowing to calculate the whole reactor core of light water reactors and its transient behaviour has been developed at the Forschungszentrum Rossendorf (FZR). It treats the three-dimensional (3d) neutron kinetics with a two-group diffusion approximation using the nodal method for assemblies with quadratic and hexagonal geometry. As input data DYN3D needs two-group cross sections for the neutrons, which are averaged over each node. These cross sections are generated using the 2d-code-system HELIOS. The necessity to calculate these two-group cross sections three-dimensionally was evaluated with the Monte-Carlo code MCNP and the 2d- and 3d-cell-code TransRay, which has been specially developed for that purpose at FZR. TransRay uses the same solution method as employed by HELIOS. The following reactor cells were investigated: A partially inserted control rod and void (or moderator with a lower density respectively) around a fuel rod as a model for a steam bubble in the moderator region. In general it could be concluded, that a three-dimensional data generation of averaged two-group cross sections is rather necessary for reactor cells with steam bubbles than for reactor cells with absorbers.

Since 1994 a photovoltaic test field has been operated at Forschungszentrum Rossendorf near Dresden. It consists of about 15 modules (mono- and polycrystalline Si, a-Si:H and CIS) from different suppliers, which were mounted in a plane with an inclination of 30 degrees and directed to south. The module power and the module temperature were measured every minute. The 10-minute-mean-values were stored together with the corresponding irradiance data. The main results of this comprehensive program will be reported.

Aufgrund des enormen Ausstoßes an Schwefeldioxid und Stickoxiden sowie des kalkarmen Grundgesteins von Erzgebirge und Vogtland litten zahlreiche sächsische Staugewässer spätestens seit Anfang der 1970er Jahre unter dem Phänomen der atmosphärischen Versauerung. Dies betraf auch einige Trinkwassertalsperren. Nach der Wiedervereinigung wurden weder Kosten noch Aufwand gescheut, um geeignete Technologien zur Aufbereitung des weichen, sauren Rohwassers zu entwickeln, die Wasserwerke zu modernisieren und auf die Einhaltung der geforderten Grenzwerte einzustellen. Innerhalb des letzten Jahrzehnts verringerten sich vor allem die Schwefeldioxid-Emissionen beträchtlich. Der Literatur zufolge gibt es große regionale Unterschiede bei der Erholung der Oberflächengewässer von der atmosphärischen Versauerung. Entsprechende Trends sind in einigen deutschen Mittelgebirgen oft nur schwach ausgeprägt oder überhaupt nicht nachweisbar. Dies begründet die Motivation, den Datenbestand der Landestalsperrenverwaltung Sachsen am Beispiel von sieben versauerten Talsperren und 22 Zuflüssen hinsichtlich der Trends ausgewählter wasserchemischer Parameter für 11 Jahre (1993-2003) statistisch mit dem Seasonal Kendall Test auszuwerten und zu vergleichen.
Der Vortrag stellt die wesentlichen Ergebnisse im Kontext mit der regionalen Entwicklung der Emissions- und Depositionssituation und vor dem Hintergrund der forstlichen Bodenschutzkalkung in Südsachsen dar. Als Hauptfaktor für den in 85% der untersuchten Gewässer signifikanten Konzentrationsrückgang von Protonen und Sulfat wird die Abnahme der Depositionsraten mindestens um Faktor 3 angesehen. In etwa 20% der Gewässer, bei denen die insgesamt applizierte Dolomitdosis im Einzugsgebiet 7 t ha-1 überschritt, fanden sich steigende Trends der Calcium- und/oder Magnesiumkonzentration, die jedoch nicht signifikant waren. Der direkte Beitrag der Bodenschutzkalkung zur Entsäuerung und nachhaltigen Erhöhung des Pufferungsvermögens der Oberflächengewässer wird als relativ gering eingeschätzt. Der starke Konzentrationsrückgang von Protonen und damit einhergehend von toxischen Aluminiumspezies bildet die Grundlage für eine Wiederbesiedelung der Gewässer durch säureempfindliche Organismen.

In the present study cubic 3C–(Si1–xC1–y)Gex+y solid solutions were created by using ion beam synthesis. 3C–SiC thin layers grown on on-axis Si (111) substrates by Molecular Beam Epitaxy were implanted with Ge in order to incorporate Ge atoms in the Silicon Carbide lattice. Two series of experiments were carried out. The implantation energy was chosen to be 140 keV and 200 keV and the implantation dose 1 × 1017 cm–2 and 4.7 × 1016 cm–2 respectively. The samples were annealed under rapid thermal annealing conditions in the temperature range between 800 °C and 1300 °C. X-ray diffraction measurements indicate an enlargement of the lattice constant. The observed higher absorption in the implanted layers could be a sign of a band gap reduction as a consequence of Ge incorporation.

To qualify CFD codes for gas-liquid two-phase flows, they have to be equipped with constitutive models standing for the interaction between the gaseous and the liquid phases. In case of bubbly flow this particularly concerns the forces acting on the bubbles as well as bubble coalescence and break-up. Besides the drag forces describing the momentum exchange in flow direction, the non drag forces acting perpendicular to the flow direction play an important role for the development of the flow structure. The presentation describes the two phase flow test facilities in the Forschungszentrum Rossendorf, the applied measurement technique and the modelling efforts simulating the momentum exchange between the phases by means of a two-fluid model. The simulation of a rectangular bubble column and a hot channel in a nuclear reactor fuel assembly are presented as application examples.

Der Elektronenbeschleuniger ELBE (Elektronenbeschleuniger mit hoher Brillanz und geringer Emittanz) [1] im Forschungszentrum Rossendorf wird nach seiner endgültigen Fertigstellung elektromagnetische Strahlung, Neutronen, Positronen sowie Elektronen für die Forschung liefern. Die Vielfalt und die hervorragenden Eigenschaften dieser Sekundärstrahlung machen ELBE zum zentralen und verbindenden Großgerät der Institute im Forschungszentrum Rossendorf. Ein 40 MeV, 1mA Elektronenbeschleuniger dient als Treiber für die verschiedenen Arten von Sekundärstrahlung.

Die Strahlungsquelle ELBE (Elektronenbeschleuniger mit hoher Brillanz und niedriger Emittanz) im Forschungszentrum Rossendorf wird nach ihrer vollständigen Inbetriebnahme ein breites Spektrum von Sekundärstrahlung für die Forschung liefern. Im elektromagnetischen Bereich werden an ELBE intensive und polarisierte Bremsstrahlung (Maximalenergie 20 MeV), monochromatische Röntgenstrahlung (10-100 keV) und Infrarotstrahlung aus Freie-Elektronen-Lasern (6-400 meV) produziert. Darüber hinaus werden gepulste Neutronen und monoenergetische Positronen als Sekundärteilchenstrahlen und ein direkter Elektronenstrahl mit hoher Strahlleistung bis zu 40kW zur Verfügung stehen. Als Treiber für die Sekundärstrahlungserzeugung dient ein supraleitender Hochfrequenzelektronenbeschleuniger mit einer Maximalenergie von 40 MeV und einem mittleren Strahlstrom von 1 mA. ELBE wurde im Rahmen einer Projektgruppe des FZR konzipiert und aufgebaut. Die vollständige Inbetriebnahme soll im Jahre 2005 abgeschlossen sein. Mit ELBE steht dem Forschungszentrum Rossendorf und der Forschungsgemeinschaft insgesamt ein leistungsfähiges und modernes Instrument zu Verfügung. Das breite Spektrum von Strahlung und die exzellenten Strahleigenschaften eröffnen einer Vielzahl von Forschungsrichtungen, experimentellen Techniken und technologischen Anwendungen neue Möglichkeiten. Derzeit sind beispielsweise Experimente zur Untersuchung der Kernstruktur, der biologischen Wirksamkeit von Röntgenstrahlung, der Dynamik von metallischen Mehrphasenströmungen, von Halbleiter-, Festkörper- und Quantenstrukturen sowie von nuklearen Prozessen in Fusionsreaktormaterialien geplant. Der Vortrag soll die Parameter und die potentiellen Möglichkeiten der Strahlungsquelle ELBE aufzeigen und für weitere Anwendungen werben.

The ELBE (Electron Linear accelerator with high Brilliance and low Emittance) machine is currently under transition from commissioning to regular user operation. The linac produces an up to 40 MeV, 1 mA (CW) electron beam which is used to generate various kinds of secondary radiation. While IR-FEL and X-ray facilities are still under construction, comprehensive nuclear physics experiments at the bremsstrahlung facility have been conducted. Both, to meet the experimentor’s demands on beam quality, stability and reproducibility and to ensure a safe operation of the machine, several diagnostic elements, such as backward OTR viewers, radiator temperature diagnostics, stripline detectors to monitor the beam incidence angle on the radiator and a four-quadrant loss monitor were developed, installed and tested. These elements are described and results are presented in this paper.

leider nicht vorhanden

In the past, the chemistry of uranium was focused on its mining and milling for production of high pure uranium compounds as initial matter of reactor fuel elements for energy production and breeding of plutonium for weapons production. In this sense, the recovery of uranium and plutonium from the used reactor fuel elements was also technical realized. The increasing input of uranium into bio-sphere by mining and milling and industrial processes like production of cement, fossil fuels, and fertilizers has led to the realization of the importance of uranium environmental chemistry. For a better assessment of radiotoxicity and transport along the food chain knowledge about the chemistry of uranium is needed in all involved compartments.

The increasing input of uranium into bio-sphere by mining and milling an dindustrial processes like production of cement, using fossile fuels, and fertilizers has led to the realization of the importance of environmental chemistry of uranium. Detailed knowledge of the nature of uranium complexes formed on the interfaces of relevant geo- and bio-systems is an essential prerequisite to describe the migration behavior in the environment. Our investigations are focused on surface complexation of uranium on phyllite and its mineral constituents like chlorite, muscovite, albite and quartz. Weathering of iron containing chlorite forms ferrihydrite as a secondary phase on the mineral surface. Results showed that the formed ferrihydrite is dominating the surface complexation. Furthermmore, the changing of uranium speciation on the surface layer will be discussed in dependence on different weathering conditions, the presence of humic acids, and the formation of biofilms on the surface. Bacteria are ubiquitous in nature and can influence the uranium transport by mobilization or immobilization. Formation of biofilms can immobilize uranium by increasing the sorption. On the other hand the formation of bio-colloids can promote the uranium transport. In dependence on the living mechanism, bacteria have different structure of the outer cell membrane and can express a wide variety of complexing ligands with various functionalities. Results about binding of uranium on cell surfaces of selected bacterial strains will be presented. For uranium speciation determination various laser spectroscopic methods and X-ray absorption spectroscopy were used. For localization of uranium on the surfaces sensitive microscopic techniques were helpful.

Oberflächenmodifizierung durch Ionenstrahlbehandlung – Charakterisierung mittels Elektronen

Many references from the cast metal literature consider the application of sonic vibrations, mechanical or electromagnetic stirring as a tool to promote the formation of fine, equiaxed grains during solidification. In this paper experimental and numerical investigations will be presented concerning the influence of a flow driven by a rotating magnetic field (RMF) on the momentum, heat and mass transfer within binary Sn-Pb alloys solidified directionally.
Our results show that the forced convection influences significantly the concentration as well the temperature profile ahead of the solidification front. The convective transport of solute reduces the thickness of the solutal boundary layer and increases the constitutional supercooling. The RMF-application provokes a distinct grain refinement for all considered alloy compositions and equiaxed growth has shown to be encouraged. A flow effect can be supposed both on the presence of nuclei in the melt and suitable conditions allowing them to grow in competition with the columnar front.

Many references from the cast metal literature are known discussing the effect of melt convection during the early stages of solidification on the grain structure. The application of mechanical or electromagnetic stirring, ultrasonic or sonic vibrations promotes the formation of fine, equiaxed grains. In this paper experimental and numerical investigations will be presented concerning the influence of a flow driven by a rotating magnetic field (RMF) on the momentum, heat and mass transfer within binary Sn-Pb alloys solidified directionally. The ultrasound Doppler velocimetry (UDV) was applied to measure the bulk flow during solidification.
The continuum formulation based model has been adopted for numerical simulations. The mushy region is modeled using a mixture viscosity formulation. The Lorentz force in the Navier-Stokes equation has been calculated by means of an analytical solution given by for a finite cylinder.
Our results show that the velocity field undergoes distinct modifications during solidification indicating the occurrence of more sophisticated flow patterns as known from the isothermal case. The forced convection causes distinct modifications of the temperature and concentration field such as a reduction of the temperature gradient ahead of the solidification front and a shift of the mixture concentration towards the eutectic concentration on the axis of the ingots. Without electromagnetic stirring the alloy solidifies solely in form of dendrites aligned parallel to the heat flow direction. In contrast, a transition from a columnar to an equiaxed growth (CET) is observed if the solidifying ingot is exposed to an RMF. The position of the CET is shifted downwards by increasing the field strength.

After discussing the demands on ERL injectors for different projects, we will discuss the technological challenges and the obtained solutions for different parts of the SRF gun. The first point is the shape of the gun cavity and the tuning system. An essential parameter is the length of the first cell, which is determined by the condition, that the field strength at the cathode has a maximal value at the moment of electron emission. If the cavity consists of different cells, as the 3 ½ cell cavity of the Rossendorf gun, two independent tuning systems are necessary. An essential point is the installation of a normal conducting cathode inside a superconducting cavity. The cathode must be isolated by a vacuum gap, it must be alignable and exchangeable from outside of the cryostat and on has to cool down it to LN2 temperature. The next point of discussion is the RF choke filter, which prevents the leakage of RF power, caused by the coaxial between the cathode and the cavity. Different solutions will be shown. In order to focus the beam and to avoid the increasing of transverse emittance a static magnetic field is applied immediately after the cathode in normal conducting RF guns. For a superconducting cavity three possibilities exist to reach the same effect: The first is to put a solenoid after the cavity and outside the cryostat. The second one is the so called RF focussing, where near the cathode a radial component of the RF field is created, which focus the beam. The most elegant way is to put an additional magnetic RF mode into the cavity. It is shown, that for emittance compensation the phase of this mode is not relevant and the amplitude is inside the limit, given by the maximal surface field strength. Especially for high current guns the input of RF power could be a problem. We will show the limits of the RF coupler in the current Rossendorf project and discuss the idea of a coaxial input of RF power from the cathode side of the gun, where the coaxial between the cathode and the cavity is the main part of the RF input coupler. In the last point we discuss the experimental results obtained in Rossendorf and present the status of the current project.

For the ELBE electron linear accelerator a superconducting accerating module was developed and is now in routine operation. The cryostat contains two TESLA cavities (1.3 GHz) and is designed for cw operation with an accelerating gradient of 10 MV/m and a maximum average beam current of 1 mA. For the power RF two 10 kW klystrons are used. Special tuners, power couplers, low level rf control, cryogenic control systems and safety systems were developed. We will discuss engineering design, operation parameters and our experience with the module.

As an example, we report on the tailoring of the magnetic properties of Permalloy (20 nm Ni81Fe19) by means of 30 keV Cr implantation. Due to the doping the Curie temperature of the Permalloy film decreases with the implantation fluence and drops below room temperature at an averaged Cr concentration of about 7 at-%. Also the saturation magnetization and the uniaxial anisotropy decrease. However the magnetic damping behavior of Cr implanted Permalloy films is strongly enhanced which is due to a combination of structural changes and alloying effects in the thin film. In order to clarify the basic mechanism for the enhancement the chemical and structural contributions to the magnetic damping parameter are separated by a comparison to results of 30 keV Ni implantation.

The alteration of magnetic properties in magnetic thin films by ion radiation has gained increasing attention in recent years. Here, we present data on the local alteration of the magnetic anisotropy axis in amorphous soft magnetic FeCoBSi films by He-ion irradiation in an applied magnetic in-plane field. Sputtered CoFeSiB (thickness 30 nm) were irradiated with 5 keV He-ions. A magnetic field of 600 Oe was applied during irradiation aligned orthogonal to the initial easy axis of anisotropy. Above a critical fluence an alignment of anisotropy in the applied field direction is observed by MOKE magnetometry and complementary domain observation by Kerr microscopy. Using irradiation together with photolithography the films were irradiated locally, thus resulting in anisotropypatterned
structures. Domain patterns in different elements with varying
angles of anisotropy and edge orientation, separating regions of different anisotropy alignment, are shown. The influence of the patterning on the (still) full film reversal is discussed in detail.

Zellen des Bakterienstammes Bacillus sphaericus JG-A12 sind in der Lage, Au(III) an ihre Zelloberfläche, vermutlich durch ihre S-layer, zu binden. Nach Zugabe eines Reduktionsmittels wird Au(III) zu Au(0) reduziert. Die Bildung von Goldnanopartikeln wurde mittels EXAFS, TEM und EDX-Analyse nachgewiesen.
Molekularbiologische Analysen der metallbindenden S-layer wiesen die Existenz von zwei unterschiedlichen S-layer-Genen nach. Sowohl das funktionale Gen als auch das stumme Gen wurde sequenziert. Zudem wurde ein neuartiges Insertionselement identifiziert, welches interessanterweise ein stummes S-layer-Gen enthält.

First lasing of the mid infrared FEL at ELBE was achieved on May 7, 2004. The Radiation Source ELBE at the Forschungszentrum Rossendorf in Dresden is currently under transition from commissioning to regular user operation. Presently the electron linac produces an up to 18 MeV, 1 mA (cw) electron beam which is alotted to generate various kinds of secondary radiation. After the successful commissioning of the bremsstrahlung and channeling-X-ray facilities during 2003 stable lasing has now been observed in the IR range (15 to 22 μm). The oscillator FEL is equipped with two planar undulator units, both consisting of 34 hybrid permanent magnet periods of 27.3 mm (Krms = 0.3 - 0.8). The distance between the two parts is variable and the gaps can be adjusted and tapered independently. At 19.6 µm an optical power of 3W was out-coupled in a macro pulse of 0.6 ms duration using an electron beam energy of 16.1 MeV and an energy spread of less than 100 keV; the micropulse charge was 50 pC and its width slightly above 1ps. With the installation of a second acceleration module for additional 20 MeV smaller wavelengths will become available in the near future.

The crystallization of amorphous silicon films deposited on glass, using the flash lamp annealing process was realized and studied. The duration of the flash is 20 ms, about two orders of magnitude shorter than the standard rapid thermal annealing process. The a-Si films deposited on Coming glass were irradiated with different energy densities and crystallized exhibiting grains with a mean size up to 6 mum. In order to reduce the strain due to the thermal gradient, the samples were preheated from the backside. The ability of the FLA process to eliminate the ingrain defects in already crystallized poly-Si films at 600 degreesC is also demonstrated.

• The Scientific System of Germany

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A general but simple method is proposed to eliminate the quantum fluctuations generated by selected one-body operators in the excitation spectrum of a discrete random phase approximation (RPA) Hamiltonian. This method provides an outstanding tool for the removal of the contaminating spurious effects originated from symetry violations. It can be also applied as a mode filter for analyzing RPA response functions.

Ti_1-xAl_xN coatings are of common use for a vast variety of applications. For each of them, controlling the microstructure is crucial because it determines usefulness, performance and lifetime. Thus, literature on the relationship between deposition parameters, microstructure, and performance of Ti_1-xAl_xN coatings is large. However, little is known regarding the atomistic mechanisms for these observed relationships. Our approach in understanding those mechanisms is in-situ x-ray diffraction during the growth of Ti_1-xAl_xN films using a deposition chamber installed at the Rossendorf beam line BM20 at the European Synchrotron Radiation Facility in Grenoble, France. All films were deposited by reactive co-sputtering from Ti and Al targets; one series at constant x = 0.06 varying substrate temperature, bias voltage, and nitrogen partial pressure and thus growth rate. In another series, x was systematically varied from 0 to 0.73 while keeping all other parameters constant. Values of x < 0.15 and high deposition rates lead to a typical cross-over behavior between initial (002) and final (111) preferred orientation. Reducing the deposition rate leads to (002) preferred orientation practically independent of film thickness and substrate temperature. Yet, suppressing collisionally-induced atomic N on the sample surface by applying a positive bias voltage, brings back a (111) preferred orientation. Those observations are consistent with proposed atomistic models. Keeping the deposition rates low, (111) preferred orientation can also be induced by increasing x above 0.15, which in the presence of atomic N can be explained by its higher adatom mobility. Increasing x towards the AlN segregation threshold at x = 0.60 leads to hard nano-composite TiAlN/AlN structures, and pushing x further to 0.73 leads to highly stressed AlN with an a-axis off-plane texture.

In-situ x-ray diffraction was employed during the growth of thin Ti_1-xAl_xN films, using a deposition chamber installed at a synchrotron radiation beamline. The films were deposited by reactive co-sputtering from Ti and Al targets. At constant x ~ 0.06, substrate temperature, bias voltage, and nitrogen partial pressure, and thus growth rate, was varied. Further, x was systematically varied from 0 to 0.73 while keeping all the other parameters constant. x < 0.15 and high deposition rates of ~ 1 Å/s lead to the typical crossover behavior between initial (001) and final (111) off-plane preferred orientation. Reducing the deposition rate to < 0.5 Å/s leads to a reversed behavior with a clear (001) preferred orientation above a film thickness of 600 Å which is essentially independent of the substrate temperature. Keeping the deposition rate low, the (111) preferred orientation can be recovered for x > 0.15, which can be explained by the higher adatom mobility of Al compared to Ti in the presence of atomic nitrogen. Increasing x towards the AlN segregation threshold at x ~ 0.60 leads to hard nano-composite nc-TiAlN/AlN structures, and x > 0.73 finally leads to dominant AlN with an a-axis off-plane texture.

In-situ x-ray diffraction has been used to characterize the growth and microstructure of wear protective Ti_1-xAl_xN thin films. The films were deposited onto oxidized Si(100) wafers in a sputter chamber mounted onto a six-circle goniometer located at a synchrotron radiation beamline. Off-plane and in-plane x-ray diffraction data were recorded in-situ during growth, in order to follow the development of microstructure and preferred orientation as a function of film thickness. The measurements were supplemented by ex-situ cross-sectional transmission electron microscopy analyses. The films were deposited by reactive co-sputtering from metallic Ti and Al targets in Ar/N₂ gas mixtures at substrate temperatures of 150 °C and 300 °C, substrate bias voltages of -30 V and +10 V, and deposition rates between 0.9 Å/s and 0.3 Å/s. The film composition was changed between pure TiN and Ti_0.91Al_0.09N. Films deposited at higher deposition rates show columnar structure with competitive growth between (001) and (111) crystalline orientation, which slowly evolves into a (111) preferred orientation containing inter- and intracolumn porosities. Reducing the deposition rate to 0.3 Å/s leads to an almost complete (001) preferred orientation with reduced surface roughness, practically independent of the deposition temperature. As the stress state of the films remains low for both deposition rates, it is suggested that the ion-to-neutral arrival rate (J_I/J_Ti+Al) determines the texture development rather than the stress. This is corroborated by applying a positive substrate bias, which, by suppressing ion impingement, leads back to an evolving (111) preferred orientation.

Der Small Punch Test (SPT) ist ein Kleinstprobenversuch, bei dem kleine scheibenförmige Proben in einem Miniaturtiefziehversuch bis zum Versagen belastet werden. Dabei wird eine charakteristische Kraft-Verschiebungs-Kurve für den Druckstempel ermittelt, welche Informationen über das Verformungs- und Versagensverhalten des verwendeten Probenmaterials enthält. Es wird eine den speziellen Anforderungen entsprechende Messapparatur vorgestellt, die es ermöglicht, die Kraft-Verschiebungs-Kurve zu ermitteln und auf optischem Wege den Versagenszeitpunkt der Probe zu bestimmen. Es wird ein Finite Elemente Modell des Small Punch Test benutzt, in dem ein schädigungsmechanisches Materialmodell implementiert ist, um für verschiedene Materialparametersätze die zu erwartenden Kraft-Verschiebungs-Kurven zu berechnen. Mit Hilfe der simulierten Kraft-Verschiebungs-Kurven und den dazugehörigen Materialparametern werden neuronale Netze trainiert, die in einem Lernprozess einen verallgemeinerten Zusammenhang zwischen Materialparametern und Kraft-Verschiebungs-Kurven herstellen. Dieser Zusammenhang kann entweder die approximierte Lösung des inversen Randwertproblems sein, die es ermöglicht aus einer experimentell ermittelten Kraft-Verschiebungs-Kurve des SPT direkt die gesuchten Materialparameter zu bestimmen. Es kann aber auch das Randwertproblem selbst approximiert werden, um in einem Optimierungsverfahren die Materialparameter zu bestimmen, für die sich eine optimale Übereinstimmung zwischen Simulation und Experiment ergeben würde. Beide Techniken werden an verschiedenen duktilen metallischen Werkstoffen getestet. Mit den ermittelten Materialparametern werden Zug- und Bruchmechanikproben simuliert, wobei nicht nur die Materialparameter verifiziert werden, sondern es auch gelingt, für einige Werkstoffe bruchmechanische Kennwerte vorherzusagen.

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The mean N-over-Z (Z) ratio of residues produced in the fragmentation of Xe-136 (N/Z = 1.519), Xe-124 (N/Z = 1.296) in comparison with Fe-56 (N/Z = 1.154) is investigated over the full range of Z. The final residues from the Xe-136 projectile keep a memory on the initial N/Z. The idea to trace back the excitation energy of the fragment entering evaporation via direct exploration of the N/Z evolution in the evaporation process is investigated and applied to the data. The freeze-out temperature is deduced, which is consistent with the investigations of light and intermediate-mass fragments (IMF) in other experiments.

Recently, the investigation of metallic nanoparticles embedded in dielectric oxides has become a topic in magnetic data storage development. Especially the creation of high density data storage devices due to ion beam synthesis of magnetically, highly anisotropic FePt nanoparticles in sapphire yielded promising results. On the other hand, pure Fe-nanoparticles have been created in sapphire, Y-stabilized ZrO2 or MgO. The motivation for the latter includes the search for magneto-optically active surfaces as well as pronounced magnetoresistance.
For doping MgO single crystals with Fe, ion implantation is a promising technique. First extensive studies were performed by Perez et al. who investigated the annealing behaviour of samples implanted with different doses of 57Fe at different energies with conversion electron Mössbauer spectroscopy (CEMS) [1]. They obtained up to 20 % of the implanted iron atoms in a-Fe precipitates while the remaining Fe-atoms were found to be in different Fe2+ and Fe3+ charge states.

In this paper, we propose a method for the creation of large fractions of a-Fe nanoparticles (up to 60%). MgO(001) single crystals were implanted with of 6x1016 cm-2 ions of the Mössbauer isotope 57Fe at 100 keV. The implantation temperature was varied from room temperature up to 800 °C. Moreover, post annealing was investigated. Samples were characterized by CEMS, RBS, TEM and XRD. We found that the temperature during the implantation plays the important role for the formation of the Fe0 state while post annealing results in the preferential formation of Fe oxidation states, mainly Fe3+ states. The largest fraction of iron with Fe0 state was obtained at implantation temperatures between 600 and 800 °C.

[1] A. Perez, G. Marest, B.D. Sawicka, J.A. Sawicki, T. Tyliszczak, Phys. Rev. B, 28, 1227 (1983)

Recent progress on electrically driven silicon based light emitters is reviewed, with emphasis on our work on light emitting pn diodes (LED) and MOS devices doped with rare-earth elements. The LEDs were fabricated by high-dose boron implantation, producing nanoscale modifications in the material. The electroluminescence (EL) efficiency increases with temperature, reaching 0.1% (wall plug efficiency) at room temperature for optimized conditions. Such devices were integrated into a microcavity. In the MOS devices the oxide was implanted with various rare-earth elements, resulting in strong EL in the visible (Tb) and ultraviolet (Gd). External quantum efficiencies in excess of 10% are reported.

Recently remarkable progress has occurred in the variety and efficiency of silicon based light emitters, based on Si pn junctions, Si MOS structures doped with rare earth elements, or containing Si nanoclusters. I will present our work in some of these areas.

We have fabricated Si light emitting diodes (LED) by high-dose boron implantation into n-type Si. The free-exciton electroluminescence (EL) increases with temperature, reaching wall-plug efficiencies of more than 0.1% at room temperature. A model which is based on excitons localized near nanoscale boron doping spikes can explain the EL dependence on current and temperature. We have integrated such structures into a microcavity with a buried metallic CoSi2 bottom mirror and a Si/SiO2 Bragg mirror on top. This resonant-cavity LED exhibits significant spectral narrowing, consistent with the quality of the cavity.

We also have fabricated light emitting Si MOS structures which were implanted with various rare-earth elements, from the well known Er3+ emitting at the telecom wavelength of 1.54 microns, to Gd3+, which emits in the deep UV at 316 nm. This is, to our knowledge, the first Si based UV light emitter, with many potential applications in areas such as bio-sensing.

Operator theoretic structures are discussed which underlie PT-symmetric Quantum Mechanics (PTSQM), the spherically symmetric α²-dynamo of magnetohydrodynamics (MHD) and the plane Couette flow of hydrodynamics (described by the Squire equation). Mathematically, the three types of models are closely related as spectral problems in Krein spaces − Hilbert spaces with an indefinite metric structure.
In contrast to the purely real spectrum of self-adjoint operators in "usual" Hilbert spaces, the spectrum of self-adjoint operators in Krein spaces consists, in general, of two types of spectral sectors: sectors with purely real eigenvalues and other sectors with pairwise complex conjugate eigenvalues. Transitions between different sectors occur at exceptional points of square root branching type. Knowing the boundaries of the sectors in parameter space one would know, e.g., the boundaries of the physical sectors of PTSQM (with exact/unbroken PT-symmetry) or of the oscillatory regimes of α²-dynamos.
The underlying Krein space related structure of the different physical setups indicates a possible fruitful interplay of these models in handling their technical and conceptual aspects on a unified footing. We make some aspects of such an interplay explicit and demonstrate its usefulness on the example of a PT-symmetric interpolation model and the Squire equation of hydrodynamics. This allows us to gain a deeper insight into the specifics of the Herbst limit.

The talk is based on material from math-ph/0501069 (which is to appear in J. Math. Phys.) and extends it.

Abstract wird nachgereicht.

In this report, a generic test case concerning the “heterogeneous inherent dilution during a small break LOCA” is analyzed. During the heat transfer phase of a small break in the primary circuit, vapour, which is formed in the core region, can condense in the steam generator tubes what yields pure, unborated water. Under certain conditions, in particular in the absence of natural circulation, this pure water can accumulate in the steam generator and/or the U form intermediate leg. When the natural circulation starts, the pure water can be transported into the reactor pressure vessel with the possible risk of a criticality accident.

For the validation of Trio_U to the application to such accidents, a generic ROCOM experiment with a constant flow rate in one loop in the magnitude of natural circulation and 10% density difference between ECC and loop water was analysed. The following results have been concluded:

The Trio_U calculation shows a good agreement with the experiment, provided that the exact ROCOM geometry is used.
The LES approach led not only to a good qualitative representation of the experiment, but also a good quantitative accordance. This is true for the two tested sub-grid models, the Smagorinsky model and the WALE model.
It seems that the WALE model treats more correctly the injection phase and the formation of the cold plume in the upper downcomer region. However, the detected azimuthal displacement of the cold plume with the WALE model can lead to errors in the prediction of the core region which is affected by the injection.
The Smagorinsky model seems to underestimate the mixing phenomena during the injection phase. However, the location of the cold plume at the lower end of the downcomer was better predicted than with the WALE model
The transient of the tracer concentrations in the downcomer has been calculated on one hand for the 1:5 KONVOI geometry and on the other hand for the ROCOM geometry. The comparison of these results has shown the importance of using very precise CAD data when applying CFD.

Due to their large specific surface area and high sorption affinity, iron-containing colloids are capable to remove dissolved contaminants from solution and to retard their migration by the water path. In a pH range near to the point of zero charge, the low electrostatic stability favors agglomeration and sedimentation of such colloids, enabling their retention (e.g., by the formation of crusts). Freshly formed iron-rich colloids mainly consist of metastable iron phases such as schwertmannite or ferrihydrite. X-ray diffraction is not sensitive enough to quantify these phases because of small particle size (< 50 nm) and/or poor structural order. Aging of these metastable phases to more crystalline Fe minerals such as goethite or hematite may have consequences on the fate of the adsorbed contaminants. The modification of surface binding sites and of steric mineral properties by the recrystallization process may cause either desorption of the contaminants from the surface, or allow their incorporation into the lattice.

Our research focuses on the mobility of uranium during the flooding process of abandoned uranium mines in East Germany. The aim is to study the behavior of uranium during the aging process of iron-rich colloids which have scavenged uranium. Information on the speciation of uranium and its migration in the vicinity of such mines is crucial for hazard prognosis.
It is thus necessary to identify and to quantify precisely the transformation of iron phases into more crystalline Fe minerals by chemical analysis. Mössbauer spectroscopy is a powerful tool to discriminate the expected minerals goethite, hematite and ferrihydrite. In mixtures, fractions < 5 % can be separated without difficulties. We used Mössbauer spectroscopy at room temperature to identify the aging products. Transmission spectra of calibration standards of ferrihydrite, goethite, hematite and mixtures of defined ratios were compared with spectra of the iron-containing colloids. This enabled us to characterize the aging process.

The complex formation of neptunium(V) with 4-hydroxy-3-methoxybenzoic acid (vanillic acid) was studied by time-resolved laser-induced fluorescence spectroscopy with ultra-short laser pulses using the fluorescence properties of 4-hydroxy-3-methoxybenzoic acid. A 2:1 complex of neptunium(V) with 4-hydroxy-3-methoxybenzoic acid was found. The stability constant of this complex was determined to be log β210 = 7.33 ± 0.10 at an ionic strength of 0.1 mol/l (NaClO4) and at 21 °C. The determination of the stability constant required an investigation of the excited-state proton transfer of 4-hydroxy-3-methoxybenzoic acid over the whole pH range. It was realized that 4-hydroxy-3-methoxybenzoic acid undergoes excited-state reactions only at pH values below 5. At pH values above 5 stability constants can be determined without kinetic calculation of the proton transfer.

In successive implantations of p- and/or n-dopants the implantation sequence may affect the ion range distributions. This is demonstrated for two consecutive implantations into the [001] channel direction: (i) 35 keV B followed by 50 keV As and (ii) 50 keV As followed by 35 keV B. The defects formed in the first implantation cause enhanced dechanneling of the subsequently implanted ions and, therefore, influence the shape of the range distributions in the second implantation step. The experimental range profiles can be reproduced very well by atomistic computer simulations which take into account damage accumulation or dynamic annealing during a single implantation step as well as the influence of the defects formed by the preceding implantation steps.

The Forschungszentrum Rossendorf (FZR) carries on a series of workshops on Measurement Techniques for Steady and Transient Multiphase Flows with the support of the following organisations: DECHEMA / Gesellschaft für Chemische Technik und Biotechnologie e.V., Kerntechnische Gesellschaft e. V. (KTG), Technical Group on Thermal and Fluiddynamics and Local Section of Saxony, Institute of Process Technique, Process Automation, and Measuring Technique (IPM) at the University of Applied Sciences Zittau/Görlitz and the TELETRONIC GmbH in Rossendorf. The first workshop was held in 1997 and had the character of a national event. International participation started for the first time in the 2000 edition of the workshops series.

The main aim of this workshops series is to discuss recent developments and future tendencies in the field of high-resolution measuring techniques used to characterise two-phase or multi-phase flow fields. Examples are measurements of the gas-liquid interface, the characterisation of its structure and its evolution in the field of gas-liquid flows and measurements of size, shape and velocity of individual particles of the disperse phase (bubbles, droplets etc.) and their dynamics. The efforts in the measure-ments field correspond to the needs of the development of three-dimensional computational fluid-dynamics (CFD) models and computer codes. High-resolution data is necessary both for the development of geometry independent constitutive equations describing the interaction of the different phases taking part in the flow and for the validation of the CFD codes against experiments. Moreover, modern tendencies in instrumentation for industrial applications are discussed.

Abstract wird nachgereicht

eingeladener Institutsvortrag

The transition from the application of conservative models to the use of best-estimate models raises the question about the uncertainty of the obtained results. This question becomes especially important, if the best-estimate models should be used for safety analyses in the field of nuclear engineering. Different methodologies were developed to assess the uncertainty of the calculation results of computer simulation codes. One of them is the methodology developed by Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) which uses the statistical code package SUSA.

In the frame of the recently finished EU FP5 funded research project VALCO, that methodology was extended and successfully applied to different coupled code systems, including the uncertainty analysis for neutronics. These code systems consist of a thermal hydraulic system code and a 3D neutron kinetic core model. One of the code systems applied was ATHLET coupled with the Rossendorf kinetics code DYN3D. Two real transients at NPPs with VVER-type reactors documented within the VALCO project were selected for analyses. One was a test with the switching-off of one of two main feed water pumps at the VVER-1000 Balakovo-4 NPP. Based on the relevant physical processes in the transients, a list of possible sources of uncertainties was compiled. Besides control parameters like control rod movement and thermal hydraulic parameters like secondary side pressure, mass flow rates, pressurizer sprayer and heater performance, different neutron kinetic parameters were included into the list of possible sources of uncertainties. Sets of input data with statistical variation of the relevant parameter values were generated for a large number of runs of the coupled code.

The SUSA package was used to make a statistical analysis of the result parameters from the output data of the calculations. Time-dependent rank correlation coefficients were calculated showing the influence of the varied parameters on the output parameter under investigation. The most interesting output parameters are the physical parameters for which experimental data are available. The calculation results allowed also the determination of time-dependent tolerance intervals for given coverage and confidence. The comparison of the experimental data, the (best-estimate) reference solution and the tolerance intervals showed how the agreement between experiment and calculation could be quantified. In most of the cases the tolerance intervals include the experimental curves. A compiled list of the most important input parameters based on the rank correlation coefficients shows, which input parameters and models are responsible for the deviations. This list gives indications for further model improvements and code developments.

The coolant mixing in PWR is an issue relevant for reactor safety, but of importance also for the optimisation of normal reactor operation. In the case of boron dilution accidents, the coolant mixing is the only effective mitigative mechanism against severe consequences of the accident. The degree of mixing determines the thermal and, therefore, mechanical load of the reactor pressure vessel wall.

Within the European project FLOMIX-R, an unique experimental data base on coolant mixing in PWRs has been created. Experiments on coolant mixing have been performed at three European mixing test facilities representing different types of reactors. Additionally, slug mixing data from the FSUE EDO Gidropress VVER-1000 mock-up have been made available. Mixing under steady-state flow conditions, slug mixing during the start-up of the first main coolant pump and mixing of cold emergency core cooling (ECC) water have been investigated. Moreover, measurement data from a real VVER-440 reactor plant (NPP Paks in Hungary) have been made available.

The measurement data base was used for the validation of computational fluid dynamics (CFD) codes. Calculations were performed for selected tests from the data base using the CFD codes CFX and FLUENT. For quality assurance in the CFD code validation, so-called Best Practice Guidelines (BPG) have been applied. The BPG require a minimization of numerical errors and solution errors by systematic grid and time step refinement and sensitivity tests on the impact of uncertainties in the boundary conditions, before the effect of different physical models can be assessed. The applicability of various turbulence modeling techniques was studied for transient and steady state flow.

The paper gives on overview on the experimental data base and on first, preliminary conclusions from the CFD code validation.

Experimental investigations on coolant mixing in Pressurised Water Reactors (PWR) have been performed within the EC project FLOMIX-R. The project was aimed at describing the mixing phenomena relevant for both safety analysis, particularly in steam line break and boron dilution scenarios, and mixing phenomena of interest for economical operation and the structural integrity. Measurement data from a set of mixing experiments have been gained by using advanced measurement techniques with enhanced resolution in time and space. Slug mixing tests simulating the start-up of the first main circulation pump are performed with three 1:5 scaled facilities: the Rossendorf Coolant Mixing model ROCOM, the Vattenfall test facility and a metal mock-up of VVER-1000 type reactor at EDO Gidropress. Experimental results on buoyancy driven mixing of fluids with density differences have been obtained at ROCOM and the Fortum PTS test facility. In generic experiments with injection of water with higher density performed at ROCOM, transition between momentum driven mixing as it is typical for pump start-up scenarios, and buoyancy driven mixing was found. The Froude number was identified as a proper transition criterion. Measurement data available from NPP Paks VVER-440 type reactor commissioning tests together with data from the ROCOM facility are used as a basis for the flow distribution studies. Alltogether, a unique data base has been created to be used for the validation of Computational Fluid Dynamics (CFD) codes for the application to turbulent mixing in nuclear reactors.

Sulfate-reducing bacteria (SRB) frequently occur in the deep granitic rock aquifers at the Äspö Hard Rock Laboratory (Äspö HRL), Sweden. The new SRB strain Desulfovibrio äspöensis could be iso-lated. The objective of this project was to explore the basic interaction mechanisms of uranium, curium, neptunium and plutonium with cells of D. äspöensis DSM 10631T.
The cells of D. äspöensis were successfully cultivated under anaerobic conditions as well in an optimized bicarbonate-buffered mineral medium as on solid medium at 22 °C. To study the interaction of D. äspöensis with the actinides, the cells were grown to the mid-exponential phase (four days). The collected biomass was usually 1.0±0.2 gdry weight/L. The purity of the used bacterial cultures was verified using microscopic techniques and by applying the Amplified Ribosomal DNA Restriction Enzyme Analysis (ARDREA).
The interaction experiments with the actinides showed that the cells are able to remove all four actinides from the surrounding solution. The amount of removed actinide and the interaction mechanism varied among the different actinides.
The main U(VI) removal occurred after the first 24 h. The contact time, pH and [U(VI)]initial influence the U removal efficiency. The presence of uranium caused a damaging of the cell membranes. TEM revealed an accumulation of U inside the bacterial cell. D. äspöensis are able to form U(IV). A complex interaction mechanism takes place consisting of biosorption, bioreduction and bioaccumulation.
Neptunium interacts in a similar way. The experimental findings are indicating a stronger interaction with uranium compared to neptunium.
The results obtained with 242Pu indicate the ability of the cells of D. äspöensis to accumulate and to reduce Pu(VI) from a solution containing Pu(VI) and Pu(IV)-polymers.
In the case of curium at a much lower metal concentration of 3x10-7 M, a pure biosorption of Cm(III) on the cell envelope forming an inner-sphere surface complex most likely with organic phosphate groups was detected.
To summarize, the strength of the interaction of D. äspöensis with the selected actinides at pH 5 and actinide concentrations ≥ 10 mg/L ([Cm] 0.07 mg/L) follows the pattern: Cm > U > Pu >> Np.

The Earth magnetic field undergoes polarity reversals with a mean reversal rate that varies from zero during the supercrons to 4-5 per Myr in the present. Typically, these reversals have an asymmetric, saw-toothed shape. Recently, a bimodal distribution of the dipole moment has been observed with two peaks at about 4 x 10^22 (Am)^2 and at about twice that value. In an attempt to identify the basic mechanism of such reversals, we study a mean-field dynamo model with a spherically symmetric helical turbulence parameter alpha which is quenched by the magnetic energy and disturbed by additional noise. The basic features of geomagnetic polarity reversals are shown to be generic consequences of the dynamo action in the vicinity of branching points of the spectrum of the dynamo operator where two real eigenvalues coalesce and continue as complex conjugated pair of eigenvalues. The model yields long periods of constant polarity which are interrupted by asymmtric polarity reversals. In certain parameter regions, it exhibits a bimodal field distribution, and it gives a natural explanation of the correlation between polarity persistence time and field strength. Typical features of coherence resonance are identified in the dependence of the polarity persistence time on the noise.

Eine in ruhendem Wasser aufsteigende Luftblase wird parallel zur Wasseroberfläche in zwei zueinander senkrechte horizontale Richtungen parallel projiziert. Diese beiden Projektionen werden zunächst als Ellipsen approximiert. Anhand der Ellipsen wird die Blase dann als Rotationsellipsoid modelliert. Das Rotationsellipsoid eignet sich zur Analyse des Verhaltens von Blasen auf ihrem Weg durch das Wasser. Dies wird an einem Ensemble schraubenartig aufsteigender Blasen verdeutlicht.

An air bubble rising in resting water is imaged by a parallel projection in two perpendicular horizontal directions. Initially, these two projections are approximated by ellipses. In the next step, the bubble is modelled as a spheroid matching the ellipses. The resulting spheroid is suitable to analyse the orientation of the symmetry axis of the bubble during its propagation through the liquid phase. The capabilities of the method is illustrated on an ensemble of bubbles rising on a helical trajectory.

A SiC/SiC composite is characterized by X-ray diffraction, atomic force microscopy, and various positron spectroscopies (slow positron implantation, positron lifetime, re-emission). It is found that beside its main constituent 3C-SiC the composite still must contain some graphite. In order to better interpret the experimental findings of the composite, a pyrolytic graphite sample was also investigated by slow positron implantation and positron lifetime spectroscopies. In addition, theoretical calculations of positron properties of graphite are presented.

Results from coincidence Doppler broadening measurements on various Si samples and Brazilian quartz having low quartz structure are presented with the aim to give further strong evidence for the existence of a low quartz structure, but not Si divacancies, at the SiO2/Si interface.

We developed a new method for the three-dimensional modeling of Extended X-ray Absorption Fine Structure (EXAFS) spectra, which is suited to extract the local structure of aqueous metal complexes from spectral mixtures of several components. The new method combines two techniques: Monte Carlo simulation and Target Transformation Factor Analysis (TFA). Monte Carlo simulation is used to create random arrangements between the X-ray absorbing metal ion and the ligand atoms, and to calculate the theoretical EXAFS spectrum of each arrangement. The theoretical EXAFS spectrum is then introduced as test spectrum in the TFA procedure, in order to test whether the test spectrum is likely a component of the spectral mixtures or not. This coupled procedure is repeated, until the error in the test spectrum is minimized. The new method is thus able to isolate and refine the structure of complexes from spectral mixtures and to determine their relative concentrations, based solely on an estimate of the ligand structure. The performance of the proposed method was validated using uranium LIII-edge EXAFS spectra of binary mixtures of two uranium(VI) 3,4-dihydoxy benzoic acid complexes.