Methodenentwicklung zur Analyse von Störfallszenarien mit Frischdampfleck und Borverdünnung mit Hilfe des Codesystems ATHLET-DYN3D - Abschlussbericht Teil 2

Es wurde ein Modell zur realistischen Beschreibung der Kühlmittelvermischung innerhalb des Reaktordruckbehälters von Druckwasserreaktoren in den gekoppelten Programmkomplex DYN3D/ATHLET implementiert. Diese Modell basiert auf dem Prinzip der linearen Superposition Dirac-Impuls-ähnlicher Störungen und kann für die Modellierung der Vermischung von Kühlmittel unterschiedlicher Temperatur und/oder unterschiedlicher Borsäurekonzentration eingesetzt werden. Der um das Vermischungsmodell erweiterte Programmkomplex DYN3D/ATHLET wurde für Analyse von Borverdünnungsstörfällen und Frischdampflecks angewandt. Für den Fall "Start der ersten Hauptkühlmittelpumpe bei Vorhandensein eines minderborierten Pfropfens im kalten Strang" zeigten die Ergebnisse der durchgeführten Parameterstudie, dass es selbst bei Annahme des maximal möglichen Pfropfenvolumens nicht zu einer Schädigung des Brennstoffes kommt. Mit den Analysen zu einem generischen Frischdampfleckszenario wurde die Anwendbarkeit des Programmkomplexes DYN3D/ATHLET auf die zweite Störfallklasse, in der die Kühlmittelvermischung eine wichtige Rollen spielt, demonstriert. Im Rahmen der Arbeiten zum Projekt wurde außerdem gezeigt, dass der Einfluss der turbulenten Schwankungen des Geschwindigkeitsfeldes innerhalb des Reaktordruckbehälters auf neutronenkinetische Parameter im Nominalbetrieb und unter Störfallbedingungen nicht zu vernachlässigen ist. A model for the realistic description of the coolant mixing inside the pressure vessel of pressurized water reactors was implemented into the coupled code complex DYN3D/ATHLET. This model is based on the linear superposition Dirac-pulse-like perturbations. The model can be applied to the mixing of coolant of different temperature and/or boron concentration. The coupled code complex DYN3D/ATHLET with the newly implemented model was applied to the analysis of boron dilution and steam line break accidents. The results of a parameter study for the case "Start-up of the first main coolant pump with a slug of lower borated water in the cold leg" have shown, that even under the conditions of the maximum slug volume there is no fuel damage. The applicability to the second class of accidents, where the coolant mixing has to be considered, was demonstrated by the analysis of a generic main steam line break scenario. Further it was shown, that the influence of turbulent fluctuations of the velocity inside the reactor pressure vessel during nominal and accident conditions on neutron-kinetic parameters cannot be neglected

Qualifizierung des Kernmodells DYN3D im Komplex mit dem Störfallcode ATHLET als fortgeschrittenes Werkzeug für die Störfallanalyse von WWER-Reaktoren - Teil 2

Benchmark calculations for the validation of the coupled neutron kinetics/thermohydraulic code complex DYN3D-ATHLET are described. Two benchmark problems concerning hypothetical accident scenarios with leaks in the steam system for a VVER-440 type reactor and the TMI-1 PWR have been solved. The first benchmark task has been defined by FZR in the frame of the international association "Atomic Energy Research" (AER), the second exercise has been organised under the auspices of the OECD. While in the first benchmark the break of the main steam collector in the sub-critical hot zero power state of the reactor was considered, the break of one of the two main steam lines at full reactor power was assumed in the OECD benchmark. Therefore, in this exercise the mixing of the coolant from the intact and the defect loops had to be considered, while in the AER benchmark the steam collector break causes a homogeneous overcooling of the primary circuit. In the AER benchmark, each participant had to use its own macroscopic cross section libraries. In the OECD benchmark, the cross sections were given in the benchmark definition. The main task of both benchmark problems was to analyse the re-criticality of the scrammed reactor due to the overcooling. For both benchmark problems, a good agreement of the DYN3D-ATHLET solution with the results of other codes was achieved. Differences in the time of re-criticality and the height of the power peak between various solutions of the AER benchmark can be explained by the use of different cross section data. Significant differences in the thermohydraulic parameters (coolant temperature, pressure) occurred only at the late stage of the transient during the emergency injection of highly borated water. In the OECD benchmark, a broader scattering of the thermohydraulic results can be observed, while a good agreement between the various 3D reactor core calculations with given thermohydraulic boundary conditions was achieved. Reasons for the differences in the thermohydraulics were assumed in the difficult modelling of the vertical once-through steam generator with steam superheating. Sensitivity analyses which considered the influence of the nodalisation and the impact of the coolant mixing model were performed for the DYN3D-ATHLET solution of the OECD benchmark. The solution of the benchmarks essentially contributed to the qualification of the code complex DYN3D-ATHLET as an advanced tool for the accident analysis for both VVER type reactors and Western PWRs

Effect of deconfinement on resonant transport in quantum wires

The effect of deconfinement due to finite band offsets on transport through quantum wires with two constrictions is investigated. It is shown that the increase in resonance linewidth becomes increasingly important as the size is reduced and ultimately places an upper limit on the energy (temperature) scale for which resonances may be observed.Comment: 6 pages, 6 postscript files with figures; uses REVTe

Tight-Binding model for semiconductor nanostructures

An empirical $s_cp^3_a$ tight-binding (TB) model is applied to the investigation of electronic states in semiconductor quantum dots. A basis set of three $p$-orbitals at the anions and one $s$-orbital at the cations is chosen. Matrix elements up to the second nearest neighbors and the spin-orbit coupling are included in our TB-model. The parametrization is chosen so that the effective masses, the spin-orbit-splitting and the gap energy of the bulk CdSe and ZnSe are reproduced. Within this reduced $s_cp_a^3$ TB-basis the valence (p-) bands are excellently reproduced and the conduction (s-) band is well reproduced close to the $\Gamma$-point, i.e. near to the band gap. In terms of this model much larger systems can be described than within a (more realistic) $sp^3s^*$-basis. The quantum dot is modelled by using the (bulk) TB-parameters for the particular material at those sites occupied by atoms of this material. Within this TB-model we study pyramidal-shaped CdSe quantum dots embedded in a ZnSe matrix and free spherical CdSe quantum dots (nanocrystals). Strain-effects are included by using an appropriate model strain field. Within the TB-model, the strain-effects can be artifically switched off to investigate the infuence of strain on the bound electronic states and, in particular, their spatial orientation. The theoretical results for spherical nanocrystals are compared with data from tunneling spectroscopy and optical experiments. Furthermore the influence of the spin-orbit coupling is investigated

A pseudopotential study of electron-hole excitations in colloidal, free-standing InAs quantum dots

Excitonic spectra are calculated for free-standing, surface passivated InAs quantum dots using atomic pseudopotentials for the single-particle states and screened Coulomb interactions for the two-body terms. We present an analysis of the single particle states involved in each excitation in terms of their angular momenta and Bloch-wave parentage. We find that (i) in agreement with other pseudopotential studies of CdSe and InP quantum dots, but in contrast to k.p calculations, dot states wavefunction exhibit strong odd-even angular momentum envelope function mixing (e.g. $s$ with $p$) and large valence-conduction coupling. (ii) While the pseudopotential approach produced very good agreement with experiment for free-standing, colloidal CdSe and InP dots, and for self-assembled (GaAs-embedded) InAs dots, here the predicted spectrum does {\em not} agree well with the measured (ensemble average over dot sizes) spectra. (1) Our calculated excitonic gap is larger than the PL measure one, and (2) while the spacing between the lowest excitons is reproduced, the spacings between higher excitons is not fit well. Discrepancy (1) could result from surface states emission. As for (2), agreement is improved when account is taken of the finite size distribution in the experimental data. (iii) We find that the single particle gap scales as $R^{-1.01}$ (not $R^{-2}$), that the screened (unscreened) electron-hole Coulomb interaction scales as $R^{-1.79}$ ($R^{-0.7}$), and that the eccitonic gap sclaes as $R^{-0.9}$. These scaling laws are different from those expected from simple models.Comment: 12 postscript figure

Multi-Exciton Spectroscopy of a Single Self Assembled Quantum Dot

We apply low temperature confocal optical microscopy to spatially resolve, and spectroscopically study a single self assembled quantum dot. By comparing the emission spectra obtained at various excitation levels to a theoretical many body model, we show that: Single exciton radiative recombination is very weak. Sharp spectral lines are due to optical transitions between confined multiexcitonic states among which excitons thermalize within their lifetime. Once these few states are fully occupied, broad bands appear due to transitions between states which contain continuum electrons.Comment: 12 pages, 4 figures, submitted for publication on Jan,28 199

Effect of quantum confinement on exciton-phonon interactions

We investigate the homogeneous linewidth of localized type-I excitons in type-II GaAs/AlAs superlattices. These localizing centers represent the intermediate case between quasi-two-dimensional (Q2D) and quasi-zero-dimensional localizations. The temperature dependence of the homogeneous linewidth is obtained with high precision from micro-photoluminescence spectra. We confirm the reduced interaction of the excitons with their environment with decreasing dimensionality except for the coupling to LO-phonons. The low-temperature limit for the linewidth of these localized excitons is five times smaller than that of Q2D excitons. The coefficient of exciton-acoustic-phonon interaction is 5 ~ 6 times smaller than that of Q2D excitons. An enhancement of the average exciton-LO-phonon interaction by localization is found in our sample. But this interaction is very sensitive to the detailed structure of the localizing centers.Comment: 6 pages, 4 figure