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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Coupled full core neutron transport/CFD simulations of pressurized water reactors

Recently as part of the CASL project, a capability to perform 3D whole-core coupled neutron transport and computational fluid dynamics (CFD) calculations was demonstrated. This work uses the 2D/1D transport code DeCART and the commercial CFD code STAR-CCM+. It builds on previous CASL work demonstrating coupling for smaller spatial domains. The coupling methodology is described along with the problem simulated and results are presented for fresh hot full power conditions. An additional comparison is made to an equivalent model that uses lower order T/H feedback to assess the importance and cost of high fidelity feedback to the neutronics problem. A simulation of a quarter core Combustion Engineering (CE) PWR core was performed with the coupled codes using a Fixed Point Gauss-Seidel iteration technique. The total approximate calculation requirements are nearly 10,000 CPU hours and 1 TB of memory. The problem took 6 coupled iterations to converge. The CFD coupled model and low order T/H feedback model compared well for global solution parameters, with a difference in the critical boron concentration and average outlet temperature of 14 ppm B and 0.94 deg. C, respectively. Differences in the power distribution were more significant with maximum relative differences in the core-wide pin peaking factor (Fq) of 5.37% and average relative differences in flat flux region power of 11.54%. Future work will focus on analyzing problems more relevant to CASL using models with less approximations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Effects of Different Closure Choices in Core-collapse Supernova Simulations

The two-moment method is widely used to approximate the full neutrino transport equation in core-collapse supernova (CCSN) simulations, and different closures lead to subtle differences in the simulation results. In this paper, we compare the effects of closure choices on various physical quantities in 1D and 2D time-dependent CCSN simulations with our multigroup radiation hydrodynamics code FORNAX. We find that choices of the third-order closure relations influence the time-dependent simulations only slightly. Choices of the second-order closure relation have larger consequences than choices of the third-order closure, but these are still small compared to the remaining variations due to ambiguities in some physical inputs such as the nuclear equation of state. We also find that deviations in Eddington factors are not monotonically related to deviations in physical quantities, which means that simply comparing the Eddington factors does not inform one concerning which closure is better.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

General-relativistic three-dimensional multi-group neutrino radiation-hydrodynamics simulations of core-collapse supernovae

We report on a set of long-term general-relativistic three-dimensional (3D) multi-group (energy-dependent) neutrino radiation-hydrodynamics simulations of core-collapse supernovae. We employ a full 3D two-moment scheme with the local M1 closure, three neutrino species, and 12 energy groups per species. With this, we follow the post-core-bounce evolution of the core of a nonrotating 27-M{sub ⊙} progenitor in full unconstrained 3D and in octant symmetry for ≳380 ms. We find the development of an asymmetric runaway explosion in our unconstrained simulation. We test the resolution dependence of our results and, in agreement with previous work, find that low resolution artificially aids explosion and leads to an earlier runaway expansion of the shock. At low resolution, the octant and full 3D dynamics are qualitatively very similar, but at high resolution, only the full 3D simulation exhibits the onset of explosion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

RELATIVISTIC EQUATION OF STATE FOR CORE-COLLAPSE SUPERNOVA SIMULATIONS

We construct the equation of state (EOS) of dense matter covering a wide range of temperature, proton fraction, and density for the use of core-collapse supernova simulations. The study is based on the relativistic mean-field (RMF) theory, which can provide an excellent description of nuclear matter and finite nuclei. The Thomas-Fermi approximation in combination with assumed nucleon distribution functions and a free energy minimization is adopted to describe the non-uniform matter, which is composed of a lattice of heavy nuclei. We treat the uniform matter and non-uniform matter consistently using the same RMF theory. We present two sets of EOS tables, namely EOS2 and EOS3. EOS2 is an update of our earlier work published in 1998 (EOS1), where only the nucleon degree of freedom is taken into account. EOS3 includes additional contributions from {Lambda} hyperons. The effect of {Lambda} hyperons on the EOS is negligible in the low-temperature and low-density region, whereas it tends to soften the EOS at high density. In comparison with EOS1, EOS2 and EOS3 have an improved design of ranges and grids, which covers the temperature range T = 0.1-10{sup 2.6} MeV with the logarithmic grid spacing {Delta}log{sub 10}(T/[MeV]) = 0.04 (92 points including T = 0), the proton fraction range Y{sub p} = 0-0.65 with the linear grid spacing {Delta}Y{sub p} = 0.01 (66 points), and the density range {rho}{sub B} 10{sup 5.1}-10{sup 16} g cm{sup -3} with the logarithmic grid spacing {Delta}log{sub 10}({rho}{sub B}/[g cm{sup -3}]) = 0.1 (110 points).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Nucleosynthetic Analysis of Three-dimensional Core-collapse Supernova Simulations

Abstract We study in detail the ejecta conditions and theoretical nucleosynthetic results for 18 three-dimensional core-collapse supernova (CCSN) simulations done by F ornax . Most of the simulations are carried out to at least 3 s after bounce, which allows us to follow their longer-term behaviors. We find that multidimensional effects introduce many complexities into the ejecta conditions. We see a stochastic electron fraction evolution, complex peak temperature distributions and histories, and long-tail distributions of the time spent within nucleosynthetic temperature ranges. These all lead to substantial variation in CCSN nucleosynthetic yields and differences from 1D results. We discuss the production of lighter α -nuclei, radioactive isotopes, heavier elements, and a few isotopes of special interest. Comparing pre-CCSN and CCSN contributions, we find that a significant fraction of elements between roughly Si and Ge are generally produced in CCSNe. We find that 44 Ti exhibits an extended production timescale as compared to 56 Ni, which may explain its different distribution and higher than previously predicted abundances in supernova remnants such as Cas A and SN1987A. We also discuss the morphology of the ejected elements. This study highlights the high-level diversity of ejecta conditions and nucleosynthetic results in 3D CCSN simulations and emphasizes the need for additional long-term (∼10 s) 3D simulations to properly address such complexities.

Astronomy & Astrophysics↗
DOE OSTI2021

Feasibility of full-core pin resolved CFD simulations of small modular reactor with momentum sources

Complex flow structure interactions and heat transfer processes take place in nuclear reactor cores. Given the extreme pressure/temperature and radioactive conditions inside the core, numerical simulations offer an attractive and sometimes more feasible approach to study the related flow and heat transfer phenomena in addition to the experiments. Under the Exascale Computing Project, the full-core simulation of a small modular reactor (SMR) has been pursued coupling Computational Fluid Dynamics (CFD) and neutronics. A key aspect of the modeling of SMR fuel assemblies is the presence of spacer grids and the mixing promoted by mixing vanes or the equivalent. A reduced order methodology is adopted based on momentum sources to mimic the mixing of the vanes. The momentum sources have been carefully calibrated with detailed Large Eddy Simulations (LES) of spacer grids performed with Nek5000. Modeling the spacer grid and mixing vanes (SGMV) effect without body-fitted computational grid avoids the excessive costs in resolving the local geometric details, and thus supports the simulation to be scaled up to the full core. Besides the progress on momentum source modeling, this paper also features the first full-core pin resolved CFD simulation ever performed to the authors' knowledge. This represents a significant advancement in capability for the CFD of nuclear reactors, which will hopefully serve as an inspiration for further integrating high-fidelity numerical simulations in actual engineering designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2014

Fusion Application for Core-Edge Transport Simulations (FACETS) (Final Report)

The FACETS project over its lifetime developed the first self-consistent core-edge coupled capabilities, a new transport solver for modeling core transport in tokamak cores, developed a new code for modeling wall physics over long time scales, and significantly improved the capabilities and performance of legacy components, UEDGE, NUBEAM, GLF23, GYRO, and BOUT++. These improved capabilities leveraged the team’s expertise in applied mathematics (solvers and algorithms) and computer science (performance improvements and language interoperability). The project pioneered new methods for tackling the complexity of simulating the concomitant complexity of tokamak experiments.

core-edge simulation↗
DOE OSTI2021

Quantum-Based Molecular Dynamics Simulations Using Tensor Cores

Tensor cores, along with tensor processing units, represent a new form of hardware acceleration specifically designed for deep neural network calculations in artificial intelligence applications. Tensor cores provide extraordinary computational speed and energy efficiency but with the caveat that they were designed for tensor contractions (matrix–matrix multiplications) using only low-precision floating-point operations. Despite this perceived limitation, we demonstrate how tensor cores can be applied with high efficiency to the challenging and numerically sensitive problem of quantum-based Born–Oppenheimer molecular dynamics, which requires highly accurate electronic structure optimizations and conservative force evaluations. The interatomic forces are calculated on-the-fly from an electronic structure that is obtained from a generalized deep neural network, where the computational structure naturally takes advantage of the exceptional processing power of the tensor cores and allows for high performance in excess of 100 Tflops on a single Nvidia A100 GPU. Stable molecular dynamics trajectories are generated using the framework of extended Lagrangian Born–Oppenheimer molecular dynamics, which combines computational efficiency with long-term stability, even when using approximate charge relaxations and force evaluations that are limited in accuracy by the numerically noisy conditions caused by the low-precision tensor core floating-point operations. A canonical ensemble simulation scheme is also presented, where the additional numerical noise in the calculated forces is absorbed into a Langevin-like dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

C HIMERA : A Massively Parallel Code for Core-collapse Supernova Simulations

Herein we provide a detailed description of the C HIMERA code, a code developed to model core collapse supernovae (CCSNe) in multiple spatial dimensions. The CCSN explosion mechanism remains the subject of intense research. Progress to date demonstrates that it involves a complex interplay of neutrino production, transport, and interaction in the stellar core, three-dimensional stellar core fluid dynamics and its associated instabilities, nuclear burning, and the fundamental physics of the neutrino–stellar core weak interactions and the equations of state of all stellar core constituents—particularly, the nuclear equation of state associated with core nucleons, both free and bound in nuclei. C HIMERA , by incorporating detailed neutrino transport, realistic neutrino–matter interactions, three-dimensional hydrodynamics, realistic nuclear, leptonic, and photonic equations of state, and a nuclear reaction network, along with other refinements, can be used to study the role of neutrino radiation, hydrodynamic instabilities, and a variety of input physics in the explosion mechanism itself. It can also be used to compute observables such as neutrino signatures, gravitational radiation, and the products of nucleosynthesis associated with CCSNe. The code contains modules for neutrino transport, multidimensional compressible hydrodynamics, nuclear reactions, a variety of neutrino interactions, equations of state, and modules to provide data for post-processing observables such as the products of nucleosynthesis, and gravitational radiation. C HIMERA is an evolving code, being updated periodically with improved input physics and numerical refinements. We detail here the current version of the code, from which future improvements will stem, which can in turn be described as needed in future publications.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1973

Induction simulation of gas core nuclear engine

The design, construction and operation of an induction heated plasma device known as a combined principles simulator is discussed. This device incorporates the major design features of the gas core nuclear rocket engine such as solid feed, propellant seeding, propellant injection through the walls, and a transpiration cooled, choked flow nozzle. Both argon and nitrogen were used as propellant simulating material, and sodium was used for fuel simulating material. In addition, a number of experiments were conducted utilizing depleted uranium as the fuel. The test program revealed that satisfactory operation of this device can be accomplished over a range of operating conditions and provided additional data to confirm the validity of the gas core concept.

Poole, J. W.↗
DOE OSTI2018

Optimizing the performance of reactive molecular dynamics simulations for many-core architectures

Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this article, we focus on optimizing the performance of the widely used LAMMPS/ReaxC package for many-core architectures. As hybrid parallelism allows better leverage of the increasing on-node parallelism, we adopt thread parallelism in the construction of bonded and nonbonded lists and in the computation of complex ReaxFF interactions. To mitigate the I/O overheads due to large volumes of trajectory data produced and to save users the burden of post-processing, we also develop a novel in situ tool for molecular species analysis. We analyze the performance of the resulting ReaxC-OMP package on two different architectures: (i) Mira, an IBM Blue Gene/Q system and (ii) Cori-II, a Cray XC-40 sytem with Knights Landing processors. For Pentaerythritol tetranitrate (PETN) systems of sizes ranging from 32 thousand to 16.6 million particles, we observe speedups in the range of 1.5-4.5x. We observe sustained performance improvements for up to 262,144 cores (1,048,576 processes) of Mira and a weak scaling efficiency of 91.5% in large simulations containing 16.6 million particles. Finally, the in situ molecular species analysis tool incurs only insignificant overheads across various system sizes and runs configurations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Neutrino signatures of 100 2D Axisymmetric Core-Collapse Supernova Simulations

ABSTRACT We present in this paper a public data release of an unprecedentedly large set of core-collapse supernova (CCSN) neutrino emission models, comprising 100 detailed 2D axisymmetric radiation-hydrodynamic simulations evolved out to as late as ∼5 s post-bounce and spanning an extensive range of massive-star progenitors. The motivation for this paper is to provide a physically and numerically uniform benchmark data set to the broader neutrino detection community to help it characterize and optimize subsurface facilities for what is likely to be a once-in-a-lifetime galactic supernova burst event. With this release, we hope to (1) help the international experiment and modelling communities more efficiently optimize the retrieval of physical information about the next galactic CCSN, (2) facilitate the better understanding of core-collapse theory and modelling among interested experimentalists, and (3) help further integrate the broader supernova neutrino community.

Astronomy & Astrophysics↗
DOE OSTI2019

Learning About Nucleosynthesis from Multi-dimensional Simulations of Core-Collapse Supernovae

For more than two decades, we have understood that the development of a successful core-collapse supernova is inextricably linked to neutrino heating and three dimensional fluid flows, with large scale hydrodynamic instabilities allowing successful explosions that spherical symmetry would prevent. Unfortunately, our understanding of the nucleosynthesis that occurs in these supernovae, and therefore the impact of supernovae on galactic chemical evolution, has generally ignored much that we have learned about the central engine of these supernovae over the past two decades. Now, with two and three dimensional simulations of core-collapse supernovae run to sufficient duration, we are learning how the multi-dimensional, neutrino-driven character of the explosions directly impacts the nucleosynthesis and other observables of core-collapse supernovae. Here we focus on lessons from multi-dimensional models which implement realistic nuclear reaction networks.

Hix, W Raphael↗
DOE OSTI2018

Exploring Fundamentally Three-dimensional Phenomena in High-fidelity Simulations of Core-collapse Supernovae

The details of the physical mechanism that drives core-collapse supernovae (CCSNe) remain uncertain. While there is an emerging consensus on the qualitative outcome of detailed CCSN mechanism simulations in 2D, only recently have high-fidelity 3D simulations become possible. In this work, we present the results of an extensive set of 3D CCSN simulations using high-fidelity multidimensional neutrino transport, high-resolution hydrodynamics, and approximate general relativistic gravity. We employ a state-of-the-art 20 M ⊙ progenitor generated using Modules for Experiments in Stellar Astrophysics, and the SFHo equation of state. While none of our 3D CCSN simulations explode within ~500 ms after core bounce, we find that the presence of large-scale aspherical motion in the Si and O shells aid shock expansion and bring the models closer to the threshold of explosion. We also find some dependence on resolution and geometry (octant versus full 4π). As has been noted in other recent works, we find that the post-shock turbulence plays an important role in determining the overall dynamical evolution of our simulations. We find a strong standing accretion shock instability (SASI) that develops at late times. The SASI produces transient shock expansions, but these do not result in any explosions. We also report that for a subset of our simulations, we find conclusive evidence for the lepton-number emission self-sustained asymmetry, which until now has not been confirmed by independent simulation codes. Finally, both the progenitor asphericities and the SASI-induced transient shock expansion phases generate transient gravitational waves and neutrino signal modulations via perturbations of the protoneutron star by turbulent motions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Finite-temperature electron-capture rates for neutron-rich nuclei near N = 50 and effects on core-collapse supernova simulations

In this paper the temperature dependence of stellar electron-capture (EC) rates is investigated, with a focus on nuclei near N = 50, just above Z = 28, which play an important role during the collapse phase of core-collapse supernovae (CCSN). Two new microscopic calculations of stellar EC rates are obtained from relativistic and nonrelativistic finite-temperature quasiparticle random-phase approximation approaches, for a conventional grid of temperatures and densities. In both approaches, EC rates due to Gamow-Teller transitions are included. In the relativistic calculation, contributions from first-forbidden transitions are also included and add strongly to the EC rates. The new EC rates are compared with large-scale shell-model calculations for the specific case of 86 Kr, providing insight into the finite-temperature effects on the EC rates. At relevant thermodynamic conditions for core collapse, the discrepancies between the different calculations of this paper are within about one order of magnitude. Numerical simulations of CCSN are performed with the spherically symmetric gr1d simulation code to quantify the impact of such differences on the dynamics of the collapse. These simulations also include EC rates based on two parametrized approximations. A comparison of the neutrino luminosities and enclosed mass at core bounce shows that differences between simulations with different sets of EC rates are relatively small (≈ 5 %), suggesting that the EC rates used as inputs for these simulations have become well constrained.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Nonlinear behavior of solar gravity modes driven by He-3 in the core. II - Numerical simulations

The nonlinear behavior of gravity-mode oscillations driven by He-3-destroying reactions in the solar core has been examined by numerically integrating equations describing a very simplified model. The results of a previous bifurcation analysis, which suggest that such oscillations are unlikely to attain amplitudes sufficient to trigger core convection, are verified. These results are extended to models whose nuclear reaction rates and thermal stratification represent the core somewhat more accurately. Nonlinear processes give rise to a preference for the oscillations to develop as standing waves rather than traveling waves, thus breaking the degeneracy between these two types of motion which exists in linearized theory. Study of the large-amplitude behavior of the oscillations is hindered by a tendency for the model to become thermally unstable.

Merryfield, William J.↗
DOE OSTI2015

Physics-based multiscale coupling for full core nuclear reactor simulation

Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different data exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗