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At least 199 records · Page 11

SU-E-T-540: MCNPX Simulation of Proton Dose Distributions in a Water Phantom

Purpose: In this study, fluence and energy deposition of proton and proton by-products and dose distributions were simulated. Lateral dose distributions were also been discussed to understand the difference between Monte Carlo simulations and pencil beam algorithm. Methods: MCNPX codes were used to build a water phantom by using “repeated structures” technique and the doses and fluences in each cell was recorded by mesh tally. This study includes, proton equilibrium and proton disequilibrium case. For the proton equilibrium case, the doses difference between proton and proton by-products were studied. A 160 MeV proton pencil beam was perpendicularly incident into a 40 × 40 × 50 cm{sup 3} water phantom and the scoring volume was 20 × 20 × 0.2 cm{sup 3}. Energy deposition and fluence were calculated from MCNPX with (1) proton only; and (2) proton and secondary particles. For the proton disequilibrium case, the dose distribution variation using different multiple Coulomb scattering were studied. A 70 MeV proton pencil beam was perpendicularly incident into a 40 × 40 × 10 cm{sup 3} water phantom and two scoring voxel sizes of 0.1 × 0.1 × 0.05 cm{sup 3} and 0.01 × 0.01 × 0.05 cm{sup 3} were used for the depth dose distribution, and 0.01 × 0.01 × 0.05 cm{sup 3} for the lateral profile distribution simulations. Results: In the water phantom, proton fluence and dose in depths beyond the Bragg peak were slightly perturbed by the choice of the simulated particle types. The dose from secondary particles was about three orders smaller, but its simulation consumed significant computing time. The depth dose distributions and lateral dose distributions of 70 MeV proton pencil beam obtained from MCNPX, GEANT4, and the pencil beam algorithm showed the significant deviations, probably caused by multiple Coulomb scattering. Conclusion: Multiple Coulomb scattering is critical when there is in proton disequilibrium.

07 ISOTOPE AND RADIATION SOURCES↗

Production and correlations of b quarks at the LHC energies

Processes leading to b-quark production at the LHC energies are simulated by using the Pythia generator. For proton-proton interactions at 7 and 14 TeV, the cross sections for b-quark production are evaluated for three mechanisms that are taken into account in the Pythia generator. These are quark-pair production, the excitation of sea quarks, and gluon splitting. Correlations of azimuthal angles of b-quark emission and properties of accompanying particles in events induced by the various mechanisms of b-quark production are calculated. The results are compared with data from the CDF experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Comparing Thick Target Neutron Yield Calculations for Alphas on F-19 using MCNP6 1.1 Beta with TENDL 2012 Libraries

Because of the heritage of MCNPX, the first production release of MCNP6{sup TM} used physics models, instead of ACE (A Compact Evaluated Nuclear Data File) formatted libraries, for simulating the transport of alpha particles at all energies, as MCNPX could not yet read ACE formatted light ion libraries. For non-Coulombic interactions, the physics models have suggested minimums of ∼ 20-200 MeV. The first production release of MCNP6, MCNP6{sup TM} 1.0, was still capable of transporting alphas to low energies; however, the physics models resulted in poor prediction of inelastic reactions at energies below the suggested minimums. This poorer prediction at low energies resulted in orders of magnitude lower neutron yields for events resulting from light ion interactions at low energies. For example, F-19(α,n)Na-22 from U-234 decay in UF{sub 6} produced poor neutron production results. Modeling these types of interactions correctly is vital for signal analysis for nonproliferation safeguards and nuclear security as well as for correctly characterizing source terms for radiation protection and shielding calculations. The TALYS computer code was developed to simulate nuclear reactions involving neutrons, photons, protons, deuterons, tritons, alphas and He-3 particles, in the 1 keV - 200 MeV energy range. TENDL is a nuclear data library, which provides the output of the TALYS nuclear model code system for direct use in applications (i.e. ACE formatted cross sections). Since 2008, TENDL had publicly provided ACE formatted libraries for alpha transport; however, not until the release of MCNP6{sup TM} 1.1 beta, had MCNP6 publicly possessed the capability to read such libraries. At the Radiation Protection and Shielding Division topical meeting in 2014, initial testing of MCNP6 1.1 beta showed that MCNP6 using TENDL 2012 resulted in poor prediction when compared to the compilation of experiment data provided in R. Heaton et al. Further comparisons for PuBe sources, using the MCNP6 1.1 beta spontaneous decay alpha feature coupled with alpha transport, were also given in the winter American Nuclear Society meeting in 2014, where the results showed large discrepancies with measured data. For F-19(α,n)Na-22 interactions, the R. Heaton et al. paper is a conglomeration of several important references; and the data provided by R. Heaton et al. used a numerical fit of the excitation function provided by Norman et al.. Norman et al. has recently published their (α,n) thick target yield data for PbF{sub 2} in tabular form, backing out the thick target yields of F-19(α,n)Na-22 and computing F{sub 2} and UF{sub 6} thick target neutron yields (as supplements to the PbF{sub 2} data). Here we compared measured thick target yields of E. B. Norman et al. to MCNP6 1.1 beta using TENDL 2012 libraries. Deterministically backing out the thick target yield from measured values involves using the stopping power. MCNP uses either the SPAR code or an interpolation of the Spar code and Bethe-Boch formula for computing stopping powers. As a result one may believe that these separate methods will arrive at separate thick target yields independent of the production cross section. In our MCNP calculations, we simulated the alpha until the alpha completely stopped in the medium. The energy loss in the condensed history algorithm is not continuous but discrete and related to the stopping powers. Because the neutron production yield is energy dependent, the energy loss dictates the emission of secondary neutrons; and therefore the difference in stopping powers used may have some slight effect on the yield difference. For this study, we chose to use the default condensed history algorithm setup, while future studies should address tightening steps in the condensed history algorithm to prove whether or not choice of stopping power actually matters. The fact that all 5 evaluated isotopic compositions resulted in different thick target yield percent differences does warrant this type of investigation. A typical user may not be only interested in integral emission, taking 10 s to 100 s of processor hours to simulate, but rather a timely generation of the spectra. Such an application would require biasing the production of secondaries from alpha sources such that millions of secondaries could be produced, emulating a converged energy dependent spectra. Neutron production biasing from alpha sources does not currently exist; however, developing a biasing algorithm for neutron production from alpha sources should be investigated in the future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Diffusive deposition of aerosols in Phebus containment during FPT-2 test

At present the lumped-parameter codes is the main tool to investigate the complex response of the containment of Nuclear Power Plant in case of an accident. Continuous development and validation of the codes is required to perform realistic investigation of the processes that determine the possible source term of radioactive products to the environment. Validation of the codes is based on the comparison of the calculated results with the measurements performed in experimental facilities. The most extensive experimental program to investigate fission product release from the molten fuel, transport through the cooling circuit and deposition in the containment is performed in PHEBUS test facility. Test FPT-2 performed in this facility is considered for analysis of processes taking place in containment. Earlier performed investigations using COCOSYS code showed that the code could be successfully used for analysis of thermal-hydraulic processes and deposition of aerosols, but there was also noticed that diffusive deposition on the vertical walls does not fit well with the measured results. In the CPA module of ASTEC code there is implemented different model for diffusive deposition, therefore the PHEBUS containment model was transferred from COCOSYS code to ASTEC-CPA to investigate the influence of the diffusive deposition modelling. Analysis was performed using PHEBUS containment model of 16 nodes. The calculated thermal-hydraulic parameters are in good agreement with measured results, which gives basis for realistic simulation of aerosol transport and deposition processes. Performed investigations showed that diffusive deposition model has influence on the aerosol deposition distribution on different surfaces in the test facility. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SciDAC GSEP: Gyrokinetic Simulation of Energetic Particle Turbulence and Transport

Energetic particle (EP) confinement is a key physics issue for burning plasma experiment ITER, the crucial next step in the quest for clean and abundant energy, since ignition relies on self-heating by energetic fusion products (α-particles). Due to the strong coupling of EP with burning thermal plasmas, plasma confinement property in the ignition regime is one of the most uncertain factors when extrapolating from existing fusion devices to the ITER tokamak. EP population in current tokamaks are mostly produced by auxiliary heating such as neutral beam injection (NBI) and radio frequency (RF) heating. Remarkable progress in developing comprehensive EP simulation codes and understanding basic EP physics has been made by two concurrent SciDAC EP projects GSEP funded by the Department of Energy (DOE) Office of Fusion Energy Science (OFES), which have successfully established gyrokinetic turbulence simulation as a necessary paradigm shift for studying the EP confinement in burning plasmas. Verification and validation have rapidly advanced through close collaborations between simulation, theory, and experiment. Furthermore, productive collaborations with computational scientists have enabled EP simulation codes to effectively utilize current petascale computers and emerging exascale computers. We review here key physics progress in the GSEP projects regarding verification and validation of gyrokinetic simulations, nonlinear EP physics, EP coupling with thermal plasmas, and reduced EP transport models. Advances in high performance computing through collaborations with computational scientists that enable these large scale electromagnetic simulations are also highlighted. These results have been widely disseminated in numerous peer-reviewed publications including many Phys. Rev. Lett. papers and many invited presentations at prominent fusion conferences such as the biennial International Atomic Energy Agency (IAEA) Fusion Energy Conference and the annual meeting of the American Physics Society, Division of Plasma Physics (APS-DPP).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Benchmarking of Neutron Production of Heavy-Ion Transport Codes

Accurate prediction of radiation fields generated by heavy ion interactions is important in medical applications, space missions, and in design and operation of rare isotope research facilities. In recent years, several well-established computer codes in widespread use for particle and radiation transport calculations have been equipped with the capability to simulate heavy ion transport and interactions. To assess and validate these capabilities, we performed simulations of a series of benchmark-quality heavy ion experiments with the computer codes FLUKA, MARS15, MCNPX, and PHITS. We focus on the comparisons of secondary neutron production. Results are encouraging; however, further improvements in models and codes and additional benchmarking are required.

benchmarking↗

Model simulations of Plum Island Ecosystems LTER low marsh site using ELM-PFLOTRAN

Model simulations using the E3SM Land Model (ELM) coupled to the PFLOTRAN reactive transport model via the Alquimia interface. The simulations were conducted for a tidal salt marsh at the Plum Island Ecosystems LTER near Rowley, Massachusetts, USA. Model simulations were forced using site-specific tidal cycles and salinity, and the simulations used a biogeochemical reaction network including aerobic decomposition, sulfate reduction, iron reduction, and methanogenesis. Model outputs include simulated carbon stocks, carbon dioxide and methane fluxes, and porewater concentrations of key solutes related to sulfur, iron, and carbon cycling. The model simulations included a saline simulation (with tidal sulfate inputs), a fresh simulation (with low salinity and low sulfate inputs), and a saline simulation with lower vegetation productivity to represent the effect of salinity on vegetation. These simulations were conducted to demonstrate that a new model framework incorporating subsurface redox and biogeochemical interactions into a land surface model could reproduce measured surface greenhouse gas fluxes and biogeochemical dynamics in tidal marsh ecosystems, and to test whether including redox interactions in a land surface model would allow the model to resolve contrasts in biogeochemical cycling and greenhouse gas production between saline and freshwater wetlands.The data package includes gzipped tar archives (which can be expanded using standard tar and gzip utilities) of model outputs from three model configurations: saline subsurface and reduced vegetation productivity related to salinity; saline subsurface with vegetation productivity not reduced; and freshwater. Also included are code for the modified E3SM model, Alquimia interface, and PFLOTRAN reactive transport simulator in gzipped tar format; plain text parameter and configuration files; python code files for visualizing model output and defining model configurations; and model output, tide and salinity forcing, and configuration files in netCDF format. See the README.md file in the data package for a detailed description of all files contained in the package. All files are in netCDF (.nc), gzipped tar archive (.tar.gz or .tgz), or text (all other files).Updated: May 13, 2024. Model output, E3SM code, PFLOTRAN input files, and python codes for visualizing results were updated to reflect changes made for the manuscript revision. The updated archive reflects the code and model output from the final accepted manuscript. Changes included updated reaction parameters reflecting improved parameterization and additional comparisons with field measurements. E3SM code changes included better support for multiple grid cells and improved flow and transport parameterization.

54 ENVIRONMENTAL SCIENCES↗

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Via judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.

97 MATHEMATICS AND COMPUTING↗

Development of GPU-based Monte Carlo code for fast CT imaging dose calculation on CUDA Fermi architecture

This paper describes the development of a Graphics Processing Unit (GPU) accelerated Monte Carlo photon transport code, ARCHER{sub GPU}, to perform CT imaging dose calculations with good accuracy and performance. The code simulates interactions of photons with heterogeneous materials. It contains a detailed CT scanner model and a family of patient phantoms. Several techniques are used to optimize the code for the GPU architecture. In the accuracy and performance test, a 142 kg adult male phantom was selected, and the CT scan protocol involved a whole-body axial scan, 20-mm x-ray beam collimation, 120 kVp and a pitch of 1. A total of 9 x 108 photons were simulated and the absorbed doses to 28 radiosensitive organs/tissues were calculated. The average percentage difference of the results obtained by the general-purpose production code MCNPX and ARCHER{sub GPU} was found to be less than 0.38%, indicating an excellent agreement. The total computation time was found to be 8,689, 139 and 56 minutes for MCNPX, ARCHER{sub CPU} (6-core) and ARCHER{sub GPU}, respectively, indicating a decent speedup. Under a recent grant funding from the NIH, the project aims at developing a Monte Carlo code with the capability of sub-minute CT organ dose calculations. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

Thermochemically-informed mass transport model for interdiffusion of U and Zr in irradiated U-Pu-Zr fuel with fission products

A new formulation for redistribution of constituents in metallic U-Pu-Zr nuclear fuel is presented that can incorporate the contributions from fission products. The formulation is based on the thermodynamic driving forces derived from the generalized chemical potential that includes effects of composition and temperature. As a result, the redistribution model can readily account for the composition changes due to the generation of fission products while using only a limited set of transport coefficients. The thermodynamic model for the metallic fuel and thermochemistry solver Thermochimica were coupled with the nuclear fuel performance code BISON to implement the redistribution model. The simulations reproduce an experimentally observed Zr-depletion zone in the mid-radius region of an irradiated fuel slug. The generation of fission products during burnup is shown to have a stabilizing effect on the fuel chemistry, slowing the rate of U-Zr interdiffusion and reducing the size of the Zr-depleted zone. Here, the overall objective of the work is to advance predictive capabilities of fission product behaviour in U-Zr metallic fuel in the context of fuel performance and safety.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Beam-dynamics codes used at DARHT

Several beam simulation codes are used to help gain a better understanding of beam dynamics in the DARHT LIAs. The most notable of these fall into the following categories: for beam production – Tricomp Trak orbit tracking code, LSP Particle in cell (PIC) code, for beam transport and acceleration – XTR static envelope and centroid code, LAMDA time-resolved envelope and centroid code, LSP-Slice PIC code, for coasting-beam transport to target – LAMDA time-resolved envelope code, LSP-Slice PIC code. These codes are also being used to inform the design of Scorpius.

43 PARTICLE ACCELERATORS↗

Uncertainty Quantification of Calculated Temperatures for the AGR 3/4 Experiment

A series of Advanced Gas Reactor (AGR) irradiation experiments are being conducted within the Advanced Reactor Technology (ART) Fuel Development and Qualification Program. The main objectives of the fuel experimental campaign are to provide the necessary data on fuel performance to support fuel process development, qualify a fuel design and fabrication process for normal operation and accident conditions, and support development and validation of fuel performance and fission product transport models and codes (PLN 3636, “Technical Program Plan for INL Advanced Reactor Technologies Technology Development Office/Advanced Gas Reactor Fuel Development and Qualification Program”). The AGR 3/4 test was inserted in the Northeast Flux Trap position in the Advanced Test Reactor (ATR) core at Idaho National Laboratory (INL) in December 2011 and successfully completed irradiation in mid-April 2014, resulting in irradiation of the tristructural isotropic (TRISO) fuel for 369.1 effective full-power days (EFPDs) during approximately 2.4 calendar years. The AGR 3/4 data, including the irradiation data and calculated results, were qualified and stored in the Nuclear Data Management and Analysis System (NDMAS). To support the U.S. TRISO fuel performance assessment and to provide data for validation of fuel performance and fission product transport models and codes, the daily as run thermal analysis has been performed separately on each of twelve AGR 3/4 capsules for the entire irradiation as discussed in ECAR-2807, “AGR 3/4 Daily As Run Thermal Analyses”. The ABAQUS code’s finite element-based thermal model predicts the daily average volume average (VA) fuel temperature (FT), peak FT, and graphite matrix, sleeve, and sink temperature in each capsule. The JMOCUP simulation codes were also created to perform depletion calculations for the AGR 3/4 experiment (ECAR-2753, “JMOCUP As-Run Daily Physics Depletion Calculation for the AGR 3/4 TRISO Particle Experiment in ATR Northeast Flux Trap”). This depletion analysis provides fast fluence and fission heat rate data for all components (fuel compacts, graphite rings, stainless steel retainer, etc.), which are used as inputs for the thermal analysis codes. The graphite temperatures from thermocouples (TCs) in each capsule were used to calibrate these thermal analysis codes. However, given the high rate of TC failure under the harsh irradiation and thermal conditions in the AGR capsules, the thermal analysis results are very useful in aiding TC data qualification, increasing the confidence in delineating failures of the measuring instruments (TCs) from physical mechanisms that may have shifted the system thermal response.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Flexible and Modular Simultaneous Modeling of Flow and Reactive Transport in Rivers and Hyporheic Zones

Investigations of coupled multiphysics processes in rivers and hyporheic zones have extensively used numerical models. Most existing models use a sequential, one-way coupling between the surface and subsurface domains. Such one-way coupling potentially introduces error. To overcome this, a fully coupled model, hyporheicFoam, was developed using the open-source computational platform OpenFOAM. It captures the coupled flow and multicomponent reactive transport processes within both surface and subsurface domains and across their interface. The coupling between two domains is implemented by mapping conservative flux boundary conditions at the interface through an iterative algorithm. Reactive transport is enabled by specifying a reaction network. To start, we have implemented reaction kinetics following the double Monod-type model with inhibition. The model capability is illustrated through modeling of both conservative and reactive hyporheic flow and transport through dune bedforms. With the novel coupled model, it is now possible to quantify reactions wherein the reactants and products are constantly exchanging between domains and have feedbacks. hyporheicFoam can simulate large, three-dimensional cases owing to the computational flexibility and power offered by the code structure and parallel design of OpenFOAM.

58 GEOSCIENCES↗

Modeling fission product diffusion in TRISO fuel particles with BISON

Diffusion of fission products in intact TRISO particles depends on particle geometry, fission product source rates, time, temperature, and temperature-dependent diffusion coefficients. Simulating this diffusion process requires models for source rates and diffusion coefficients, plus computation of the temperature field if not prescribed. In addition, simulation quality depends on discretization of the geometry, appropriate time stepping, and the accuracy of the solution method. In this paper, we explore the simulation of fission product diffusion in TRISO fuel particles using the finite element method via the fuel performance code Bison. Recent material model development has occurred in Bison for each material present in tri-structural isotropic (TRISO) fuel particles: the buffer, inner pyrolytic carbon, silicon carbide, and outer pyrolytic carbon layers, as well as the fuel kernel. Also, new mesh generation and fission product release fraction capabilities have been added. Diffusion capabilities are shown to converge to the correct solution via formal verification tests. A large number of code benchmarking problems are also given, with good results, showing that Bison’s computed release fractions closely match those of other software tools. Finally, a significant validation effort is detailed in which fission product release, measured as part of the AGR-1 capsule experiments, is compared to Bison outputs. Bison outputs compare very well to the experimental data and to PARFUME results.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SHARP pre-release v1.0 - Current Status and Documentation

The NEAMS Reactor Product Line effort aims to develop an integrated multiphysics simulation capability for the design and analysis of future generations of nuclear power plants. The Reactor Product Line code suite’s multi-resolution hierarchy is being designed to ultimately span the full range of length and time scales present in relevant reactor design and safety analyses, as well as scale from desktop to petaflop computing platforms. In this report, building on a several previous report issued in September 2014, we describe our continued efforts to integrate thermal/hydraulics, neutronics, and structural mechanics modeling codes to perform coupled analysis of a representative fast sodium-cooled reactor core in preparation for a unified release of the toolkit. The work reported in the current document covers the software engineering aspects of managing the entire stack of components in the SHARP toolkit and the continuous integration efforts ongoing to prepare a release candidate for interested reactor analysis users. Here we report on the continued integration effort of PROTEUS/Nek5000 and Diablo into the NEAMS framework and the software processes that enable users to utilize the capabilities without losing scientific productivity. Due to the complexity of the individual modules and their necessary/optional dependency library chain, we focus on the configuration and build aspects for the SHARP toolkit, which includes capability to autodownload dependencies and configure/install with optimal flags in an architecture-aware fashion. Such complexity is untenable without strong software engineering processes such as source management, source control, change reviews, unit tests, integration tests and continuous test suites. Details on these processes are provided in the report as a building step for a SHARP user guide that will accompany the first release, expected by Mar 2016.

Mahadevan, Vijay S.↗

Deep Energy Retrofit Guidance for the Building America Solutions Center

The U.S. DOE Building America program has established a research agenda targeting market-relevant strategies to achieve 40% reductions in existing home energy use by 2030. Deep Energy Retrofits (DERs) are part of the strategy to meet and exceed this goal. DERs are projects that create new, valuable assets from existing residences, by bringing homes into alignment with the expectations of the 21st century. Ideally, high energy using, dated homes that are failing to provide adequate modern services to their owners and occupants (e.g., comfortable temperatures, acceptable humidity, clean, healthy), are transformed through comprehensive upgrades to the building envelope, services and miscellaneous loads into next generation high performance homes. These guidance documents provide information to aid in the broader market adoption of DERs. They are intended for inclusion in the online resource the Building America Solutions Center (BASC). This document is an assemblage of multiple entries in the BASC, each of which addresses a specific aspect of Deep Energy Retrofit best practices for projects targeting at least 50% energy reductions. The contents are based upon a review of actual DERs in the U.S., as well as a mixture of engineering judgment, published guidance from DOE research in technologies and DERs, simulations of cost-optimal DERs, Energy Star and Consortium for Energy Efficiency (CEE) product criteria, and energy codes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Mechanisms of Ionospheric Mass Ejection

Ionospheric outflows are directly responsive to solar wind disturbances, particularly in the dayside auroral cusp or cleft regions. Inputs of both electromagnetic energy (Poynting flux) and kinetic energy (particle precipitation) are closely correlated with these outflows. We assess the importance of processes thought to drive ionospheric outflows. These begin with the diffuse effects of photoionization and thermal equilibrium of the ionospheric topside, enhancing Jeans' escape, with ambipolar diffusion and acceleration. Auroral outflows begin with dayside reconnexion and resultant field-aligned currents and driven convection. These produce plasmaspheric plumes, collisional heating and wave-particle interactions, centrifugal acceleration, and auroral acceleration by parallel electric fields, including enhanced ambipolar fields from electron heating by precipitation particles. Solar wind energy dissipation is concentrated by the geomagnetic field into auroral regions with an amplification factor of 10-100, enhancing heavy species plasma and gas escape from gravity, and providing more current carrying capacity. Internal plasmas thus enable electromagnetic driving via coupling to the plasma and neutral gas. We assess the importance of each of these processes in terms of local escape flux production as well as global outflow, and suggest methods for their implementation within multi-species global simulation codes. We conclude by assessing outstanding obstacles to this objective.

Moore, Thomas Earle↗

Multiphysics FISPACT-II and TENDL-2019 simulation: neutron-induced damage metrics

Nuclear interactions can be the source of atomic displacement, irradiation-induced defects and transmutation in structural materials. Such quantities are derived from, or can be correlated to, nuclear kinematic simulations of primary atomic energy distributions spectra and the quantification of the numbers of secondary defects produced per primary as a function of the available recoils, residual and emitted, energies. Recoil kinematics of neutral, residual, gas, proton, alpha particle emissions are now more rigorously treated based on recent, complete and enhanced nuclear data parsed in state-of-the-art processing tools. Defect production metrics are the starting point in the complex problem of correlating and simulating the behaviour of materials under irradiation, as experimental information is rare or scattered. Detailed, segregated primary knock-on-atom metrics are now becoming available as the starting point of further simulation processes of isolated and clustered defects in material lattices. This allows more materials, lattices, neutron incident energy ranges, and irradiation conditions to be explored with sufficient data to adequately cover both standard and novel applications and materials: the broader reactor applications landscape. The damage metrics of of materials are systematically explored under typical but different reactor's type environment. The inventory code FISPACT-II combined with the enhanced nuclear data forms of the TENDL-2019 libraries allow one to not only calculate dpa from mostly scattering events but to also properly predict gas production, nuclear heating and transmutation under the same conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗