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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

NEAMS TH CRAB

The MOOSE framework is a library designed to make it straightforward for physicists and engineers to model partial differential equations using finite element and finite volume methods. Finite elements have been a part of the framework library since MOOSE's inception over a decade ago. Initial finite volume capability, however, was added only as recently as May of 2020. Since that time, significant work has been conducted to develop fluid modeling capability based on the finite volume method. Much of this work has taken place in MOOSE's navier_stokes module and in the NEAMS program's coarse mesh CFD code Pronghorn. We report here on development in MOOSE and Pronghorn of incompressible, porous incompressible, and weakly compressible finite volume simulation capabilities and their application to modeling of MSR and FHR advanced reactor concepts.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

CORAL-2 EAS-3 Deployment (Level-2 Milestone 7907)

This report documents the delivery and installation of rzVernal, a CORAL-2 El Capitan early delivery system deployed on the LLNL Restricted Zone network. Early ASC program users have run codes on the machine in support of application porting for the final El Capitan system which will be deployed at LLNL in CY2023. In addition to the RZ resource, rzVernal, two similar machines, Tioga and Tenaya, have been deployed on the LLNL SRD and Collaboration Zone networks in support of application readiness for the El Capitan platform.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Implementation of CMFD Acceleration Scheme in PROTEUS-MOC

The PROTEUS-MOC code is a three-dimensional (3D) transport code, which is being developed at Argonne National Laboratory under the DOE-NE's Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. It provides a fully consistent 3D discretization of the transport equation by combining the two-dimensional (2D) method of characteristics (MOC) for the planar direction with the discontinuous Galerkin method for the treatment of the axial variable. PROTEUS-MOC uses the unstructured finite element method (FEM) and thus allows the explicit representation of any extruded geometries. It also has a capability of massively parallel computation in energy group, angle, plane, and space using a top-level GMRES linear algebra solver. For parallel computation in space, it uses an unstructured domain decomposition by adapting METIS. The computational burden for direct heterogeneous core calculations based on unstructured geometries is excessive for practical reactor problems, and hence it is essential to implement an efficient acceleration scheme in PROTEUS-MOC. Recently, the coarse mesh finite difference (CMFD) method, which was originally applied to the nodal diffusion methods, has been successfully applied to the MOC transport solvers, resulting in a remarkable reduction in the number of fission source iterations. In addition, a modified CMFD method has been developed to overcome the limitation of the conventional CMFD that is applicable only to neutronics solvers with a conservative discretization. This CMFD method was derived to be consistent with the FEM, which is based on a nonconservative discretization. In this method, the neutron balance in each coarse mesh is enforced by introducing a pseudo absorption cross section (PAXS), and the well-established alternating solution process of CMFD and transport calculations is employed to accelerate source convergence. This modified CMFD acceleration scheme was adopted in PROTEUS-MOC to accelerate the fission source iteration. Pin-cell and assembly based CMFD schemes have been implemented by defining individual pin cells or assemblies as a coarse mesh. For this, an algorithm to map the finite elements to coarse meshes was developed, and the routines were developed to determine the coupling coefficients and PAXS of the CMFD equations from the transport solution. Preliminary performance tests were carried out using the C5G7 benchmark problem. This paper presents the main features of this CMFD acceleration scheme and the preliminary test results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Sensitivity/Uncertainty Comparison Study Involving IRSN, LANL, and ORNL Tools to Support Validation

Under a DOE Nuclear Criticality Safety Program (NCSP) task involving Analytical Methods, three Laboratories collaborated in a comparison of results obtained from Sensitivity/Uncertainty (S/U) packages relevant to validation of transport codes. The task involves Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Los Alamos National Laboratory (LANL), and Oak Ridge National Laboratory (ORNL) comparing results of MORET 5/MACSENS V3.0, MCNP6.2/Whisper-1.1, and SCALE 6.2.3/TSUNAMI/USLSTATS respectively. All Monte Carlo transport code results utilize nuclear data from ENDF/B-VII.1 evaluation. This study examines five cases from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) selected as application models: IEU-MET- FAST-002-001, LEU-COMP-THERM-001-001, LEU-SOL-THERM-004-001, MIX-COMP- THERM-001-001, and U233-SOL-THERM-001-001. This is a continuation of a previous study to examine Pu and HEU cases: HEU-MET-FAST-013-001, HEU-SOL-THERM-001-008, PU-MET- FAST-022-001, and PU-SOL-THERM-001-001. Ultimately, comparison is made between Upper Subcritical Limits (USLs) obtained using each code package for each application case. Since differences exist in whether packages take into account margin of subcriticality (MOS), the USL is computed using only bias and bias uncertainty, also known as the calculational margin (CM) in ANSI/ANS-8.24. Results comparison appears to show that benchmark selection has a greater influence on the USL than the method used for calculation of bias and bias uncertainty.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

140,142 Ce Neutron Cross Section Resolved Resonance Region Evaluation [Abstract]

A resolved resonance region evaluation of 140,142 Ce has been carried out by Oak Ridge National Laboratory. Requested by the US Nuclear Criticality Safety Program, this evaluation is based on recent high-resolution transmission and capture high-resolution measurements of nat Ce and 142 Ce conducted at JRC-GEEL at the Geel Linear Accelerator facility, as well as recently measured thermal constants available from the EXFOR database. Starting from the resonance parameters from the ENDF/B-VIII.0 library and following a preliminary R-matrix analysis, an updated set of resonance parameters and corresponding covariance information was derived by the fit of these experimental datasets using the Reich-Moore approximation of the R-matrix theory as implemented in the SAMMY code system. The resolved resonance region upper energy limit for 140 Ce was kept at 200 keV while the 142 Ce resonance region was extended from 13 to 26 keV. This new evaluation was found to be in good agreement not only with several integral quantities of interest to the reactor physics community, but also with the stellar Maxwellian-averaged cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Improvements to Modeling Capabilities of ATF Concepts in the BISON Fuel Performance Code

Research into accident tolerant materials for the fuel and cladding in Light Water Reactors has been at the forefront of the nuclear fuel research community since the events that oc- curred at the Fukushima Daiichi nuclear power plant in March 2011. Accident tolerant materials are defined as those that provide significantly increased response time in the event of an accident while providing similar or improved performance as the conventional UO2/zirconium-based cladding fuel rods dur- ing normal operation [1]. In particular, qualitative attributes for materials with enhanced accident tolerance include im- proved reaction (e.g., oxidation) kinetics with steam, resulting in slower hydrogen (or other combustible gases) generation rate, while maintaining acceptable thermo-mechanical prop- erties, fuel-clad interactions, and fission-product behavior [1]. Through its Office of Nuclear Energy the United States De- partment of Energy (U.S. DOE) has accelerated research in this area through the Fuel Cycle Research and Development (FCRD) Advanced Fuels Campaign (AFC). The goal of the AFC Accident Tolerant Fuel (ATF) program is to guide se- lection of promising concepts for insertion into a commercial reactor as part of a lead test rod or assembly in 2022. Given the aggressive development schedule, it is impossi- ble to perform a comprehensive set of experiments to provide material characterization data. Therefore, the AFC is utilizing computational analysis tools in an effort to understand the proposed accident tolerant materials. The two materials of interest in this work are iron-chromium-aluminum (FeCrAl) cladding and U3Si2. From a fuel performance standpoint, the correlations available to describe the behavior of these two materials is limited. Therefore, as additional experimental data becomes available and correlations are updated, the fuel performance models must be updated to represent the current state of the art understanding of these materials. In this paper we demonstrate the importance of utilizing the latest state-of-the-art models for fuel performance simula- tions by comparing old and new thermal conductivity models for U3Si2 fuel and old and new oxidation models for FeCrAl cladding alloys using the BISON [2, 3] fuel performance code under normal operating conditions. The results indicate that the latest thermal conductivity model for U3Si2 results in fuel centerline temperatures that are on average approximately 3% higher than the previous model. For the oxidation behavior of FeCrAl alloys the new model predicts observable but small ox- ide thickness (~6 µm) compared to the previous model which predicted zero oxide scale formation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Improvements to Modeling Capabilities of ATF Concepts in the BISON Fuel Performance Code

Research into accident tolerant materials for the fuel and cladding in Light Water Reactors has been at the forefront of the nuclear fuel research community since the events that occurred at the Fukushima Daiichi nuclear power plant in March 2011. Accident tolerant materials are defined as those that provide significantly increased response time in the event of an accident while providing similar or improved performance as the conventional UO{sub 2}/zirconium-based cladding fuel rods during normal operation. In particular, qualitative attributes for materials with enhanced accident tolerance include improved reaction (e.g., oxidation) kinetics with steam, resulting in lower hydrogen (or other combustible gases) generation rate, while maintaining acceptable thermo-mechanical properties, fuel-clad interactions, and fission-product behavior. Through it's Office of Nuclear Energy, the United States Department of Energy (U.S. DOE) has accelerated research in this area through the Fuel Cycle Research and Development (FCRD) Advanced Fuels Campaign (AFC). The goal of the AFC Accident Tolerant Fuel (ATF) program is to guide selection of promising concepts for insertion into a commercial reactor as part of a lead test rod or assembly in 2022. Given the aggressive development schedule, it is impossible to perform a comprehensive set of experiments to provide material characterization data. Therefore, the AFC is utilizing computational analysis tools in an effort to understand the proposed accident tolerant materials. The two materials of interest in this work are iron-chromium-aluminum (FeCrAl) cladding and U{sub 3}Si{sub 2}. From a fuel performance standpoint, the correlations available to describe the behavior of these two materials is limited. Therefore, as additional experimental data becomes available and correlations are updated, the fuel performance models must be updated as well to assure that the material models reflect the latest experimental findings. In this paper we demonstrate the importance of utilizing the latest state-of-the-art models for fuel performance simulations by comparing the change in the updated thermal conductivity model for U{sub 3}Si{sub 2} fuel and oxidation model for FeCrAl cladding alloys using the BISON fuel performance code under normal operating conditions. The results indicate that the latest thermal conductivity model for U{sub 3}Si{sub 2} results in fuel centerline temperatures that are on average approximately 3% higher than the previous model. For the oxidation behavior of FeCrAl alloys the new model predicts observable but small oxide thickness (6 μm) compared to the previous model which predicted essentially zero oxide scale formation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

HTTF Benchmarking Activities in FY 2023

This report describes the work conducted in FY23 within the High Temperature Gas-Cooled Reactor (HTGR) Applications Drivers activity under the Multiphysics Applications technical area in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program within DOE-NE. The focus of this past year’s activity was on the OECD/NEA thermal hydraulic benchmark for high temperature gas-cooled reactors using HTTF data (HTGR T/H). The activities focus on code-to-code comparisons for two benchmark problems: (1) Depressurized Conduction Cooldown using SAM, and (2) Lower Plenum Mixing using Nek5000/RS.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Computer-controlled finishing via dynamically constraint position-velocity-time scheduler

In a Computer Numerical Controlled (CNC) finishing process, the target material removal from an optical surface is guided by the convolution between the influence function of a machine tool and its dwell time at certain points over the surface. To reduce dynamics stressing and increase machining efficiency, the dwell time must be converted to varying velocities, which are the actual inputs to the machine tool controller. Conventionally, the conversion assumed constant acceleration and relied on linear motion interpolation, which caused discontinuities in velocities. This unsmooth motion affects the material removal distribution, and, thus, the accuracy of the finished surface shape. Many modern CNC machines support the smoother, cubic-polynomial interpolated Position-Velocity-Time (PVT) motion mode; however, the conventional scheduler may fail to provide suitable velocities for the PVT. Here in this study answers this challenge by proposing a novel PVT-based velocity scheduler that achieves smooth motion while considering CNC dynamic limits. Firstly, the principle of the PVT is explained, and the PVT-based velocity scheduler is formulated. Secondly, a quadratic programming is used to optimize the velocities by imposing the CNC dynamic constraints and the C 1 continuities (zeroth and first derivatives are continuous) simultaneously. Thirdly, the smoothness and accuracy of the scheduled velocities are studied on different kinds of tool paths via simulation. Finally, a sub-0.3 nm level surface finishing experiment using ion beam figuring is demonstrated to verify the feasibility of the proposed method. The PVT-based scheduler and simulator code is open-sourced.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Enabling Scientific Applications with Performance-Portability and High-Productivity for Multi-GPU Programming with JACC.Multi

This work bridges the gap between multi-GPU computing and high-productivity, performance-portable programming solutions. Our goal is to enhance scientific applications with a productive and portable solution—program once, deploy everywhere—for multi-GPU programming with no cost to programmability. To accomplish this, we implemented JACC.Multi, which is part of the Julia for ACCelerators (JACC) performance-portable framework. JACC. Multi is the only high-level, portable metaprogramming solution that targets multi-GPU environments and is integrated in a readily accessible programming language (e.g., Julia language). With transparent GPU-to-GPU communication, JACC. Multi is optimized for scientific application workloads and is portable for NVIDIA and AMD accelerators. For the evaluation, we use two modern multi-GPU systems: Hudson, which features two NVIDIA H100 Hopper GPUs per node, and Frontier, which features four AMD MI250X GPUs per node, each with two Graphics Compute Dies (GCDs) for a total of eight GCDs per node. Additionally, as part of the evaluation, we use JACC (one GPU), MPI+JACC, and JACC. Multi codes that implement well-known and widely used scientific algorithms/kernels such as the conjugate gradient algorithm and an explicit forward Euler solver that requires GPU-to-GPU communication. Overall, JACC. Multi codes achieve better performance than MPI+JACC codes and significant speedups over JACC (one GPU), with up to 1.9× on Hudson and 6× on Frontier.

Valero Lara, Pedro [ORNL] (ORCID:0000000214794310)↗
DOE OSTI2020

Quantum Dynamics at Scale: Ultrafast Control of Emergent Functional Materials

Confluence of extreme-scale quantum dynamics simulations (i.e. quantum@scale) and cutting-edge x-ray free-electron laser experiments are revolutionizing materials science. An archetypal example is the exciting concept of using picosecond light pulses to control emergent material properties on demand in atomically-thin layered materials. This paper describes efforts to scale our quantum molecular dynamics engine toward the United States' first exaflop/s computer, under an Aurora Early Science Program project named "Metascalable layered material genome". Key algorithmic and computing techniques incorporated are: (1) globally-scalable and locally-fast solvers within a linear-scaling divide-conquer-recombine algorithmic framework; (2) algebraic `BLASification' of computational kernels; and (3) data alignment and loop restructuring, along with register and cache blocking, for enhanced vectorization and efficient memory access. The resulting weak-scaling parallel efficiency was 0.93 on 131,072 Intel Xeon Phi cores for a 56.6 million atom (or 169 million valence-electron) system, whereas the various code transformations achieved 5-fold speedup. The optimized simulation engine allowed us for the first time to establish a significant effect of substrate on the dynamics of layered material upon electronic excitation.

Algebraic BLASification↗
DOE OSTI2020

Theory Manual for the Fuel Cycle Analysis Code REBUS

REBUS is a system of programs designed for the fuel cycle analysis of fast reactors and accelerator-driven systems. The first version of REBUS was developed in 1970 for calculating the equilibrium operating conditions of liquid metal fast breeder reactors. During the past five decades, various extensions and refinements have been made in the simulation of material motions in fuel cycle facilities and the solution of the neutronics and isotopic transmutation equations that govern the reactor behavior. The latest version complies with the standard code practices and interface dataset specifications of the committee on computer code coordination (CCCC). This report provides a detailed description of the physical processes and their mathematical models and solution methods of the current production version of REBUS. The models of the facilities and physical processes involved in fast reactor fuel cycle are first discussed. Then the mathematical formulation of these physical models is presented, followed by detailed discussions of solution methods of the resulting set of equations. Finally the output edit quantities are discussed along with their definitions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Finite Element Solver for Fission Dynamics

FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, microscopic framework that only relies on our current knowledge of nuclear forces [1]. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDFCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving the Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.

Regnier, D.↗
DOE OSTI2013

MODIFICATION OF THE MOOG SPECTRAL SYNTHESIS CODES TO ACCOUNT FOR ZEEMAN BROADENING OF SPECTRAL LINES

In an attempt to widen access to the study of magnetic fields in stellar astronomy, I present MOOGStokes, a version of the MOOG one-dimensional local thermodynamic equilibrium radiative transfer code, overhauled to incorporate a Stokes vector treatment of polarized radiation through a magnetic medium. MOOGStokes is a suite of three complementary programs, which together can synthesize the disk-averaged emergent spectrum of a star with a magnetic field. The first element (a pre-processing script called CounterPoint) calculates for a given magnetic field strength, wavelength shifts, and polarizations for the components of Zeeman-sensitive lines. The second element (a MOOG driver called SynStokes derived from the existing MOOG driver Synth) uses the list of Zeeman-shifted absorption lines together with the existing machinery of MOOG to synthesize the emergent spectrum at numerous locations across the stellar disk, accounting for stellar and magnetic field geometry. The third and final element (a post-processing script called DiskoBall) calculates the disk-averaged spectrum by weighting the individual emergent spectra by limb darkening and projected area, and applying the effects of Doppler broadening. All together, the MOOGStokes package allows users to synthesize emergent spectra of stars with magnetic fields in a familiar computational framework. MOOGStokes produces disk-averaged spectra for all Stokes vectors ( I, Q, U, V ), normalized by the continuum. MOOGStokes agrees well with the predictions of INVERS10 a polarized radiative transfer code with a long history of use in the study of stellar magnetic fields. In the non-magnetic limit, MOOGStokes also agrees with the predictions of the scalar version of MOOG.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Overview of development and design of MPACT: Michigan parallel characteristics transport code

MPACT (Michigan Parallel Characteristics Transport Code) is a new reactor analysis tool. It is being developed by students and research staff at the University of Michigan to be used for an advanced pin-resolved transport capability within VERA (Virtual Environment for Reactor Analysis). VERA is the end-user reactor simulation tool being produced by the Consortium for the Advanced Simulation of Light Water Reactors (CASL). The MPACT development project is itself unique for the way it is changing how students do research to achieve the instructional and research goals of an academic institution, while providing immediate value to industry. The MPACT code makes use of modern lean/agile software processes and extensive testing to maintain a level of productivity and quality required by CASL. MPACT's design relies heavily on object-oriented programming concepts and design patterns and is programmed in Fortran 2003. These designs are explained and illustrated as to how they can be readily extended to incorporate new capabilities and research ideas in support of academic research objectives. The transport methods currently implemented in MPACT include the 2-D and 3-D method of characteristics (MOC) and 2-D and 3-D method of collision direction probabilities (CDP). For the cross section resonance treatment, presently the subgroup method and the new embedded self-shielding method (ESSM) are implemented within MPACT. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Strength of concrete structures under dynamic loading

The use of elastic supports is one the efficient methods of decreasing the dynamic loading. The paper describes the influence of elastic supports on the stress-strain state of steel concrete structures exposed to one-time dynamic loading resulting in failure. Oblique bending beams on elastic supports and their elastic, elastoplastic, and elastoplastic consolidation behavior are considered in this paper. For numerical calculations the developed computer program is used based on the finite element method. Research findings prove high efficiency of elastic supports under dynamic loading conditions. The most effective behavior of elastic supports is demonstrated at the elastoplastic stage. A good agreement is observed between the theoretical and experimental results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Lowest-dimensional portals to SU( N ) exotics

New matter fields charged under the strong nuclear force would have dramatic phenomenological implications. In this work, we systematically explore how these new states, which we postulate belong to some representation of SU(3) of quantum chromo-dynamics, could interact with standard model fields: We analyze all lowest-dimensional “portal” operators for any SU(3) representation, and motivated by grand unification, we extend our results to SU( N ) for N > 3. We provide a publicly available python code, “tessellation,” that automatically constructs said lowest-dimensional portal operators for any new exotic matter field charged under SU( N ) for any N .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗