Development of cold neutron scattering kernels for advanced moderators

The development of scattering kernels for a number of molecular systems was performed, including a set of hydrogeneous methylated aromatics such as toluene, mesitylene, and mixtures of those. In order to partially validate those new libraries, we compared predicted total cross sections with experimental data obtained in our laboratory. In addition, we have introduced a new model to describe the interaction of slow neutrons with solid methane in phase II (stable phase below T=20.4K, atmospheric pressure). Very recently, a new scattering kernel to describe the interaction of slow neutrons with solid Deuterium was also developed. The main dynamical characteristics of that system are contained in the formalism, the elastic processes involving coherent and incoherent contributions are fully described, as well as the spin-correlation effects. © 2009 American Institute of Physics.Fil: Granada, Jose Rolando. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; ArgentinaFil: Cantargi, Florencia Olga. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentin

Vibrational spectra of light and heavy water with application to neutron cross section calculations

The design of nuclear reactors and neutron moderators require a good representation of the interaction of low energy (E < 1 eV) neutrons with hydrogen and deuterium containing materials. These models are based on the dynamics of the material, represented by its vibrational spectrum. In this paper, we show calculations of the frequency spectrum for light and heavy water at room temperature using two flexible point charge potentials: SPC-MPG and TIP4P/2005f. The results are compared with experimental measurements, with emphasis on inelastic neutron scattering data. Finally, the resulting spectra are applied to calculation of neutron scattering cross sections for these materials, which were found to be a significant improvement over library data.Fil: Marquez Damian, Jose Ignacio. Comisión Nacional de Energía Atómica. Gerencia del Area de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Malaspina, David Cesar. Northwestern University; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Granada, Jose Rolando. Comisión Nacional de Energía Atómica. Gerencia del Area de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

The Bariloche Neutron Physics Group Current Activities

Our group has evolved around a small accelerator-based neutron source (ABNS), the 25 million electron Volt (MeV) linear electron accelerator at the Bariloche Atomic Centre. It is dedicated to applications of neutronic methods to tackle problems of basic sciences and to technological applications. Among these, the determination of total cross section of a material as a function of neutron energy by means of transmission experiments for thermal and sub-thermal neutrons is very sensitive to the geometric arrangement and movement of the atoms, over distances ranging from the 'first-neighbour scale' up to the microstructural level or 'grain scale'. This also allowed to test theoretical models of calculated cross sections and scattering kernels. Interest has moved from pulsed neutron diffraction towards deep inelastic neutron scattering (DINS), a powerful tool for the determination of atomic momentum distribution in condensed matter and for non-destructive mass spectroscopy. In recent years non-intrusive techniques aimed at the scanning of large cargo containers have started to be developed with this ABNS, testing the capacity and limitations to detect special nuclear material and dangerous substances in thick cargo arrangements. More recently, the use of the ever-present “bremsstrahlung” radiation has been recognized as a useful complement to instrumental neutron activation, as it permits to detect other nuclear species through high-energy photon activation. The facility is also used for graduate and undergraduate students experimental work within the frame of Instituto Balseiro Physics and Nuclear Engineering courses of study, and also MSc and PhD theses work.Fil: Mayer, Roberto Edmundo. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: D'Amico, N. M. B.. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; ArgentinaFil: Granada, Jose Rolando. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Dawidowski, Javier. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Santisteban, Javier Roberto. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Blostein, Juan Jeronimo. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Tartaglione, Aureliano. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rodriguez Palomino, Luis Alberto. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Marquez Damian, Jose Ignacio. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Sepúlveda Sosa, C.. Comision Chilena de Energia Nuclear; Chil

Improvement on the calculation of D2O moderated critical systems with new thermal neutron scattering libraries

To improve the evaluations in thermal sublibraries, we developed a set of thermal neutron scattering cross sections (scattering kernels) for the deuterium and oxygen bound in heavy water in the ENDF-6 format. These new libraries are based on molecular dynamics simulations and recent experimental data, and result in an improvement of the calculation of single neutron scattering quantities. In this work, we show how the use of this new set of cross sections also improves the calculation of thermal critical systems moderated and/or reflected with heavy water. The use of the new thermal scattering library for heavy water, combined with the ROSFOND-2010 evaluation of the deuterium cross sections, results in an improvement of the C/E ratio in 48 out of 65 benchmark cases calculated with the Monte Carlo code MCNP5, in comparison with the existing library based on the ENDF/B-VII evaluation.Fil: Marquez Damian, Jose Ignacio. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Granada, Jose Rolando. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Roubtsov, D.. Atomic Energy of Canada; Canad

An Evaluation of the Scattering Law for Light and Heavy Water in ENDF-6 Format, Based on Experimental Data and Molecular Dynamics

In this work we present an evaluation in ENDF-6 format of the scattering law for light and heavy water computed using the LEAPR module of NJOY99. The models used in this evaluation are based on experimental data on light water dynamics measured by Novikov, partial structure factors obtained by Soper, and molecular dynamics calculations performed with GROMACS using a reparameterized version of the flexible SPC model by Toukan and Rahman. The models use the Egelstaff-Schofield diffusion equation for translational motion, and a continuous spectrum calculated from the velocity autocorrelation function computed with GROMACS. The scattering law for H in H2O is computed using the incoherent approximation, and the scattering law D and O in D2O are computed using the Sköld approximation for coherent scattering. The calculations show significant improvement over ENDF/B-VI and ENDF/B-VII when compared with measurements of the total cross section, differential scattering experiments and quasi-elastic neutron scattering experiments (QENS).Fil: Marquez Damian, Jose Ignacio. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Granada, Jose Rolando. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Malaspina, David Cesar. Northwestern University; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentin

New evaluation of thermal neutron scattering libraries for light and heavy water

In order to improve the design and safety of thermal nuclear reactors and for verification of criticality safety conditions on systems with significant amount of fissile materials and water, it is necessary to perform high-precision neutron transport calculations and estimate uncertainties of the results. These calculations are based on neutron interaction data distributed in evaluated nuclear data libraries. To improve the evaluations of thermal scattering sub-libraries, we developed a set of thermal neutron scattering cross sections (scattering kernels) for hydrogen bound in light water, and deuterium and oxygen bound in heavy water, in the ENDF-6 format from room temperature up to the critical temperatures of molecular liquids. The new evaluations were generated and processable with NJOY99 and also with NJOY-2012 with minor modifications (updates), and with the new version of NJOY-2016. The new TSL libraries are based on molecular dynamics simulations with GROMACS and recent experimental data, and result in an improvement of the calculation of single neutron scattering quantities. In this work, we discuss the importance of taking into account self-diffusion in liquids to accurately describe the neutron scattering at low neutron energies (quasi-elastic peak problem). To improve modeling of heavy water, it is important to take into account temperature-dependent static structure factors and apply Sköld approximation to the coherent inelastic components of the scattering matrix. The usage of the new set of scattering matrices and cross-sections improves the calculation of thermal critical systems moderated and/or reflected with light/heavy water obtained from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook. For example, the use of the new thermal scattering library for heavy water, combined with the ROSFOND-2010 evaluation of the cross sections for deuterium, results in an improvement of the C/E ratio in 48 out of 65 international benchmark cases calculated with the Monte Carlo code MCNP5, in comparison with the existing library based on the ENDF/B-VII.0 evaluation

New evaluation of thermal neutron scattering libraries for light and heavy water

In order to improve the design and safety of thermal nuclear reactors and for verification of criticality safety conditions on systems with significant amount of fissile materials and water, it is necessary to perform high-precision neutron transport calculations and estimate uncertainties of the results. These calculations are based on neutron interaction data distributed in evaluated nuclear data libraries. To improve the evaluations of thermal scattering sub-libraries, we developed a set of thermal neutron scattering cross sections (scattering kernels) for hydrogen bound in light water, and deuterium and oxygen bound in heavy water, in the ENDF-6 format from room temperature up to the critical temperatures of molecular liquids. The new evaluations were generated and processable with NJOY99 and also with NJOY-2012 with minor modifications (updates), and with the new version of NJOY-2016. The new TSL libraries are based on molecular dynamics simulations with GROMACS and recent experimental data, and result in an improvement of the calculation of single neutron scattering quantities. In this work, we discuss the importance of taking into account self-diffusion in liquids to accurately describe the neutron scattering at low neutron energies (quasi-elastic peak problem). To improve modeling of heavy water, it is important to take into account temperature-dependent static structure factors and apply Sköld approximation to the coherent inelastic components of the scattering matrix. The usage of the new set of scattering matrices and cross-sections improves the calculation of thermal critical systems moderated and/or reflected with light/heavy water obtained from the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook. For example, the use of the new thermal scattering library for heavy water, combined with the ROSFOND-2010 evaluation of the cross sections for deuterium, results in an improvement of the C/E ratio in 48 out of 65 international benchmark cases calculated with the Monte Carlo code MCNP5, in comparison with the existing library based on the ENDF/B-VII.0 evaluation

Application of the CAB evaluation of thermal scattering law for heavy water to ZED-2 critical benchmarks at room temperature

To improve the evaluations in thermal scattering sub-libraries, a set of thermal neutron scattering cross sections (scattering kernels) was developed recently at Centro Atómico Bariloche (CAB) for deuterium and oxygen bound in liquid heavy water, and made available in the ENDF-6 format. These libraries are based on a combination of results of molecular dynamics (MD) simulations and recent experimental data and, when used, result in an improvement of calculations of observables of single neutron scattering experiments, compared to results based on previous evaluations. In this work, we provide additional details on the CAB evaluation of heavy water at room temperature and discuss the important integral characteristics of neutron scattering kernels, such as the cross sections, average scattering cosine, and average secondary energy. Then, the new set of thermal scattering kernels is applied in modelling criticality of the ZED-2 reactor, and the international benchmarks LEU-MET-THERM-003 (ICSBEP handbook) and ZED2-HWR-EXP-001 (IRPhEP handbook) are analyzed in detail. The differences in the estimates of criticality due to changes in the S(α,β) data from the reference one (ENDF/B-VII) to the CAB evaluation are 100–200 pcm; they are comparable but smaller than the ZED-2 benchmark uncertainties (≈±300 pcm). Changing the reference evaluation of 16O to the recently developed one from the CIELO project (WPEC subgroup 40) results in a decrease of criticality by ∼100 pcm. Using different combinations of the improved nuclear data for deuterium, oxygen, and the CAB TSL model, we obtain biases up to 300–400 pcm in the estimates of criticality of the selected ZED-2 benchmarks. Application of the new evaluations for 235U and 238U from the CIELO project improves the estimates of keff by decreasing the bias by ∼100 pcm that indicates a need for further investigations of the ZED-2 critical assemblies.Fil: Roubtsov, D.. Canadian Nuclear Laboratories; CanadáFil: Chow, J. C.. Canadian Nuclear Laboratories; CanadáFil: Marquez Damian, Jose Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Gerencia de Ingeniería Nuclear (CAB). División Neutrones y Reactores; ArgentinaFil: Granada, Jose Rolando. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Patagonia Norte; Argentina. Comisión Nacional de Energía Atómica. Gerencia del Área de Energía Nuclear. Instituto Balseiro; Argentina. Comision Nacional de Energia Atomica. Gerencia D/area de Energia Nuclear. Gerencia de Ingeniería Nuclear (cab). Div.física de Reactores Avanzados; Argentin