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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Ultra–high molecular weight polyethylene micro–ribbon fibers gel spun using orange terpenes

Toxic, hazardous petrochemical solvents are commonly used for industrial-scale ultra-high molecular weight polyethylene (UHMWPE) fiber production, but orange terpenes, a byproduct of orange fruit production, present a bio-derived, sustainable alternative. In this work, fine UHMWPE fibers were spun using orange terpenes as the spin solvent, hot-drawn at a draw ratio of 5:1, investigated for their morphology, microstructure, and thermal and mechanical properties. The resulting fibers exhibited a flat, micro-ribbon cross-section, which is highly desirable for achieving high fiber volume fractions in UHMWPE-fiber reinforced composites. After drawing, the fibers possessed 4× greater breaking tenacity than any previously published studies on UHMWPE fibers spun using orange terpenes with a tenacity of 8.6 cN/dtex and tensile modulus of 229.2 cN/dtex. Microstructural analysis via differential scanning calorimetry and X-ray diffraction revealed that the hot drawing process significantly increased molecular orientation, but crystallinity decreased due to crystallite melting during drawing. Therefore, the mechanical properties of these fibers may be significantly improved with optimization of the fiber drawing process. As a work, this work establishes the strong potential of orange terpenes as an environmentally-friendly alternative solvent for UHMWPE gel spinning and sets a foundation for future parametric optimization of the spinning and drawing of these fibers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Viewing is understanding: Graphite microstructure effects on infiltrated molten salt distribution revealed by 3D neutron tomography

Molten salt infiltration in the pore network of nuclear graphite may cause unwanted changes to graphite's local structure and mechanical and thermal properties. A detailed and comprehensive understanding of molten salt intrusion (distribution across sample cross section and penetration depth) is needed to assess its effects. Here, in this work, we report on an improved methodology for the use of neutron imaging (computed tomography) to evaluate salt penetration and distribution of a wide range of graphite grades with diverse microstructures. Neutron tomography data were acquired on the same graphite sample before and after salt intrusion; the 3D reconstructed volumes were digitally co-registered and subtracted. The difference in neutron attenuation coefficient represents direct visualization of FLiNaK (LiF–NaF–KF) salt distribution in the salt-impregnated graphite samples. This improved methodology was applied to investigate the effect of exposure times (12 h and 336 h) and of graphite microstructure when exposed to FLiNaK at 750 °C and 3 bar (gauge) pressure, starting from flowing argon at near atmospheric pressure. The results show that medium-grained and fine-grained graphites evolve to equilibrium at significantly different rates: fast salt uptake in medium-grained graphites produces salt deposits throughout the volume of graphite specimens, whereas salt infiltration in fine-grained graphites is much slower and limited to exposed surfaces.

FLiNaK infiltration↗
DOE OSTI2021

Fusion yield of plasma with velocity-space anisotropy at constant energy

Velocity-space anisotropy can significantly modify fusion reactivity. The nature and magnitude of this modification depends on the plasma temperature, as well as the details of how the anisotropy is introduced. For plasmas that are sufficiently cold compared to the peak of the fusion cross section, anisotropic distributions tend to have higher yields than isotropic distributions with the same thermal energy. At higher temperatures, it is instead isotropic distributions that have the highest yields. However, the details of this behavior depend on exactly how the distribution differs from an isotropic Maxwellian. Therefore, this paper describes the effects of anisotropy on fusion yield for the class of anisotropic distribution functions with the same energy distribution as a 3D isotropic Maxwellian and compares those results with the yields from bi-Maxwellian distributions. In many cases, especially for plasmas somewhat below reactor-regime temperatures, the effects of anisotropy can be substantial.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Oak Ridge National Laboratory NCSP Analytical Methods Subtask 3, AMPX Development and Maintenance, and NCSP Nuclear Data Subtask 6, SAMMY Modernization

The modernization of SAMMY continued with consolidation of access to covariance information for adjusted parameters and data in SAMMY. This consolidation allowed for removal of many scratch files. In addition, work was initiated to make the 0K cross section calculation more modular and less dependent on SAMMY global parameters. An initial application programming interface (API) was added to expose cross sections (including resolution broadening) generated by SAMMY to external fitting routines. The processing for thermal moderators in AMPX was updated for selected moderators for which the generated grid was not fine enough. Updated libraries were generated for SCALE. In addition, work continued to fully support new Evaluated Nuclear Data File (ENDF) formats, including the Generalized Nuclear Database Structure (GNDS) in AMPX.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Investigation of the OECD/NEA PWR MOX/UO{sub 2} core transient benchmark using a coupled whole core pin-by-pin route in WIMS

This paper investigates the new CAMELOT coupling route developed in WIMS, which uses prepared tabulated cross-sections combined with the flux solver MERLIN module and the integrated sub-channel thermal hydraulics solver ARTHUR module to solve for the coupled core state. This coupling route is applied to the OECD/NEA pressurized water reactor (PWR) core transient benchmark exercise, involving 3-D neutronics and thermal-hydraulics analysis of a full-sized PWR core featuring MOX fuel at various core states, as well as simulating a control rod ejection transient. Analysis of the results for each part of the benchmark demonstrate that the high-resolution pin-by-pin analysis used in WIMS closely matches the other participants in the benchmark, with differences of between 20-200 pcm for k-effective, 1-2.5% RMS difference for assembly-averaged powers, 2-8% difference in rod worth calculations, < 200 ppm for calculations of critical boron concentration, zero difference in delayed neutron fraction calculation and a very close match for power response to the rod ejection transient. This is the first application of the WIMS-CAMELOT approach for the transient analysis of a full-sized reactor and as such further improvements such as reducing computational cost through parallelization, optimisation and memory reduction, are currently in active development. This paper demonstrates the accuracy and flexibility of the CAMELOT coupling route, providing a straightforward and consistent user image that can be easily used for a variety of modelling problems involving coupled neutronics and thermal-hydraulics. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2020

The Scattering of Phonons by Infinitely Long Quantum Dislocations Segments and the Generation of Thermal Transport Anisotropy in a Solid Threaded by Many Parallel Dislocations

A canonical quantization procedure is applied to the interaction of elastic waves—phonons—with infinitely long dislocations that can oscillate about an equilibrium, straight line, configuration. The interaction is implemented through the well-known Peach–Koehler force. For small dislocation excursions away from the equilibrium position, the quantum theory can be solved to all orders in the coupling constant. We study in detail the quantum excitations of the dislocation line and its interactions with phonons. The consequences for the drag on a dislocation caused by the phonon wind are pointed out. We compute the cross-section for phonons incident on the dislocation lines for an arbitrary angle of incidence. The consequences for thermal transport are explored, and we compare our results, involving a dynamic dislocation, with those of Klemens and Carruthers, involving a static dislocation. In our case, the relaxation time is inversely proportional to frequency, rather than directly proportional to frequency. As a consequence, the thermal transport anisotropy generated on a material by the presence of a highly-oriented array of dislocations is considerably more sensitive to the frequency of each propagating mode, and, therefore, to the temperature of the material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Data Testing of Polyethylene Thermal Scattering Law with New Thermal Epithermal eXperiments (TEX) Plutonium Baseline Benchmark, PU-MET-MIXED-002

Five plutonium baseline experiments completed in September of 2018 from the Thermal Epithermal eXperiments (TEX) program have been accepted by the International Criticality Safety Benchmark Evaluation Project as PU-MET-MIXED-002 and will be included in the 2020 version of the handbook. The experiments were made up of stacked layers of plutonium Zero Power Physics Reactor (ZPPR) plates moderated by polyethylene (PE, chemical formula C2H4) to varying degrees to create configurations with five different neutron spectra, including one fast configuration, one thermal configuration, and three mixed configurations. Calculations of the benchmark show overprediction of k eff when using the most recent release of the Evaluated Nuclear Data File Version B (ENDF/B) library release (VIII.0) cross sections, particularly when compared to the previous ENDF/B-VII.1 results. One potential source of overprediction was hypothesized to be the new Molecular Dynamics (MD) generated PE Thermal Scattering Law (TSL). The overprediction was shown via calculation to not be caused by the new ENDF/B-VIII.0 thermal scattering law, and in fact the overprediction was mitigated by the new PE TSL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Development of a BlueCRAB/MELCOR Framework for Supporting Realistic Mechanistic Source Term Calculations in Microreactors

Efforts are currently underway to deploy microreactor modeling and simulation tools to better support vendors and regulatory authorities in submitting and reviewing licensing applications. In particular, the Nuclear Regulatory Commission is expected to rely on the Comprehensive Reactor Analysis Bundle (BlueCRAB) multiphysics toolset in performing design- and beyond-design-basis accident analyses. In addition, the Nuclear Regulatory Commission has been using the MELCOR code to estimate mechanistic source terms during accidents. As MELCOR relies on isotopic inventory and reactor temperature/power evolution profiles during accident conditions—all of which can theoretically be obtained from BlueCRAB—the ultimate goal of this activity is to establish a common BlueCRAB-MELCOR framework. However, prior to the present research, BlueCRAB had never been used to calculate such quantities of interest at the full-core level. While there are many Monte Carlo (MC) codes capable of computing such quantities of interest, they are unable to readily account for multiphysics feedback. BlueCRAB allows for the coupling of different physics codes together to perform multiphysics-informed calculations. Therefore, the purpose of this fiscal year 2023 work is to investigate the feasibility and challenges of performing such calculations within BlueCRAB so as to generate the data that MELCOR relies on. To demonstrate the methodology, the proposed workflow was applied to a prototypical heat pipe-cooled microreactor model. To predict isotopic concentrations (taking into account the ac- cumulation of fission products during operation), the necessary microscopic cross sections were generated via OpenMC and tabulated with respect to temperature and burnup. Next, a recently developed capability in Griffin (the reactor physics application in BlueCRAB) was used to convert the OpenMC output format into the ISOXML format used by Griffin. A multiphysics microscopic depletion calculation that involved performing a coupled full-core, heterogeneous neutron trans- port and thermal calculation at each depletion step was conducted to deplete the core to end of life (EOL) conditions so as to provide both isotopics and the initial condition for the transient calculation. Following a brief null-transient to verify that the initial condition had been properly restarted and was indeed in thermal equilibrium, a heat pipe failure transient was simulated. Thus, the entire workflow of using BlueCRAB to generate MELCOR inputs, from cross-section generation to producing isotopic inventory and power/temperature evolution profiles during transients, is demonstrated. This report also details the identified gaps in the workflow and how they were (for the most part) addressed. Future work should focus on directly including MEL- COR into the workflow by performing a MELCOR calculation using the BlueCRAB-generated input data. In addition, the heat pipe reactor design should be improved so as to reflect more prototypical burnup characteristics at EOL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Dark Matter Induced Power in Quantum Devices

We point out that power measurements of single quasiparticle devices open a new avenue to detect dark matter (DM). The threshold of these devices is set by the Cooper pair binding energy, and is therefore so low that they can detect DM as light as about an MeV incoming from the Galactic halo, as well as the low-velocity thermalized DM component potentially present in the Earth. Using existing power measurements with these new devices, as well as power measurements with SuperCDMS-CPD, we set new constraints on the spin-independent DM scattering cross section for DM masses from about 10 MeV to 10 GeV. We outline future directions to improve sensitivity to both halo DM and a thermalized DM population in the Earth using power deposition in quantum devices. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

High-temperature stability and thermal expansion behavior of equi-atomic refractory multi-principal element alloys based on MoNbTi system for Gen IV reactor applications

The present study investigates the thermal stability and thermal expansion behavior of seven equi-atomic refractory multi-principal element alloys (MPEAs) based on the MoNbTi ternary system composed of low neutron absorption cross section elements. Through an integrated approach utilizing in-situ high-temperature X-ray diffraction (HT-XRD) in conjunction with differential scanning calorimetry (DSC), dilatometry and ageing heat treatment, the thermal stability of the MPEAs was comprehensively analyzed. In-situ HT-XRD experiment confirmed the stability of the room temperature phases up to 1000 °C with no peaks observed corresponding to additional phases in the HT-XRD patterns at 500, 800 and 1100 °C. DSC thermograms showed the absence of peaks up to 1000 °C, while peaks and valleys corresponding to exothermic and endothermic events were observed above 1000 °C. Coefficient of thermal expansion (CTE) derived from second order polynomial fitting of linear thermal expansion data from the dilatometry experiment showed linear increment up to 1000 °C for all the alloys except those containing Zr. The Cr containing alloys exhibited notably higher CTE values, particularly the Al containing alloy exhibited the highest value. Ageing heat treatment at 800 and 1000 °C for 96 h and subsequent microstructural analysis revealed significant precipitation of secondary phases in MoNbTiZr, MoNbTiZrV and MoNbTiCrAl. In conclusion, a substantial increase in hardness was observed in MoNbTiZr and MoNbTiCrAl due to secondary phase precipitation, while the other alloys maintained hardness values comparable to their as-cast and homogenized states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Embedding Neural Thermal Scattering (NeTS) Modules in SERPENT for Higher Fidelity Advanced Reactor Analysis

When a neutron born in fission thermalizes to the order of $k$ $B$ $T$, it’s de-Broglie wavelength and energy approach the order of inter-atomic spacing and elementary lattice oscillations, respectively. $S$($a,β,t$) or the scattering law, uuantify these temperature-dependent crystallographic contributions to total cross section (or reaction rate). In a Monte Carlo analysis, cumulative distribution functions (CDFs) of $S$($a,β,t$) are loaded to memory from “A Compact ENDF” (ACE) files for stochastically selecting thermal scattered neutron trajectories. In this work, novel neural thermal scattering (NeTS) modules for $S$($a,β,t$) CDFs are designed, trained, serialized and embedded within SERPENT using Python’s limited C-API for on-the-fly deployment of crystalline graphite $S$($a,β,t$) sampling. Torchscript tracing and Numba just-in-time (JIT) compilation streamline neural inference on NVIDIA GPUs with CUDA libraries. Demonstrations of bare sphere thermalization of fast and thermal sources show excellent agreement between embedded NeTS in SERPENT and MCNP. With an explicit model of the reactor, NeTS can predict on-the-fly changes in TREAT neutron spectra as a function of local temperature, which can serve to improve transient and accident predictions in a multiphysics analysis framework. This framework can be further extended to account on-the-fly for changes in local graphitic microstructure to scattering cross sections, and outlines a novel coupling of modern machine learning with state-of-the-art reactor physics methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Update on NNL TSL Evaluations and Validation [Slides]

12 new/revised TSL evaluations were contributed to ENDF/B-VIII.1. The thermal diffusion length $L$ is an integral property of a single material’s absorption and scattering cross sections (both differential and integral). No other neutron reactions or materials are involved. The MC21-calculated $L$ for water is consistent with the spread of experimental data and is sufficiently sensitive to different H-H 2 O TSL physics models to use the method as a TSL integral performance benchmark. Modern high-quality diffusion experiments at elevated $T$ would allow direct low-cost physics benchmarking of water TSLs when public elevated-$T$ critical benchmarks are limited. NNL is working with LLNL and RPI to develop experimental PNDA capability. An ICSBEP Fundamental Physics benchmark of the Nassar and Murphy PNDA experiment is being developed to provide an example of how to evaluate these type of benchmarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

The total neutron cross section of liquid and solid ammonia

Ammonia is a material of interest for future neutron moderators at high-power sources due to its high hydrogen density, low melting point, and resistance to polymerization in an intense radiation field. Its performance in such applications cannot currently be calculated due to the absence of suitable computer models for the interaction of neutrons with ammonia under relevant conditions. In an effort to develop suitable scattering kernels for computer simulations of moderator performance, we have conducted a series of Density Functional Theory and Molecular Dynamics calculations of the molecular-level thermal properties of ammonia at various temperatures within both the solid and liquid phases. In this paper, we compare computer calculations for the energy-dependent total neutron cross section of ammonia, based on these models, to experimental measurements of those cross sections at temperatures of 221 K, 180 K, and 35 K. The experimental data were collected over an energy range from 0.1 meV to 10 eV using time-of-flight techniques at the Low Energy Neutron Source (LENS) facility at Indiana University. This comparison provides a first validation in the development of thermal scattering libraries for Monte Carlo source design simulations based on liquid and solid ammonia. In conclusion, we also provide some insights into where additional development of tools for creating such models may be needed.

Ammonia↗
DOE OSTI2022

Porosity evolution during heating of copper made from powder by friction extrusion

Here, friction extrusion was used to compact and extrude solid copper rod from feedstock powders. Following extrusion, considerable porosity was observed throughout the extrudate cross section due to the entrained porosity in the feedstock material and the extrusion process. The thermal stability of the extrudate was investigated via a series of heat treatments. Porosity evolution exhibited three distinct stages—an unchanged plateau (0°C–300°C) followed by an abrupt increase (400°C–500°C) and ultimately a reduction, as the temperature increases (>500°C). The peak porosity measured was ~25%. The underlying driving force for pore evolution is described as the competition between the internal pore pressure, material strength, and sintering kinetics, as a function of temperature. The observed porosity evolution and driving force are not expected to be limited to copper. Thus, this manuscript reveals an important consideration regarding elevated-temperature thermal stability as advanced manufacturing methods involving direct powder extrusion are explored.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cobalt as a promising dopant for producing semi-insulating β-Ga 2 O 3 crystals: Charge state transition levels from experiment and theory

Optical absorption and photoconductivity measurements of Co-doped β-Ga 2 O 3 crystals reveal the photon energies of optically excited charge transfer between the Co related deep levels and the conduction or valence band. The corresponding photoionization cross sections are fitted by a phenomenological model considering electron–phonon coupling. The obtained fitting parameters: thermal ionization (zero-phonon transition) energy, Franck–Condon shift, and effective phonon energy are compared with corresponding values predicted by first principle calculations based on density functional theory. A (+/0) donor level ~0.85 eV above the valence band maximum and a (0/-) acceptor level ~2.1 eV below the conduction band minimum are consistently derived. Temperature-dependent electrical resistivity measurement at elevated temperatures (up to 1000 K) yields a thermal activation energy of 2.1 ± 0.1 eV, consistent with the position of the Co acceptor level. Furthermore, the results show that Co doping is promising for producing semi-insulating β-Ga 2 O 3 crystals.

Materials science↗
DOE OSTI2023

Phonon-informed Neural Thermal Scattering (NeTS) Optimization for Crystalline Graphite and Beryllium Metal

Fast neutrons born from fission lose energy through scattering interactions in the process of slowing-down. As neutrons thermalize to the order of $k$ $b$ $T$ (where $k$ $b$ is the Boltzmann constant, and $T$ is the temperature of the medium), their de Broglie wavelength and energy approaches the order of inter-atomic spacing and quantized lattice vibrations, i.e., phonons. At thermal energies, the thermal scattering law (TSL), i.e., $S$($α, β$), captures crystal binding contributions to the total reaction rate, or cross section. This dimensionless material property describes the energy ($β$) and momentum ($α$) exchanges available in a medium. Currently, $S$($α, β$) is evaluated in the Full Law Analysis Scattering System Hub (FLASSH) code for discrete inputs and stored as ENDF/B File 7 for 0-phonon elastic (MT 2) and n-phonon inelastic (MT 4) processes. Further processing recasts $S$($α, β$) into cumulative distribution functions for sampling post-collision scattering kinematics. In practice, interpolation schemes are employed to access data between tabulated values. An improvement to this juncture of the nuclear data pipeline is supplying cross sections on-the-fly (OTF), as has been developed for the un-resolved resonance region to minimize non-physical interpolation errors. This capability may improve simulation accuracy for accident and transient analyses, where rapidly varying changes in temperature and pressure are difficult to predict beforehand. To do so, deep artificial neural networks (ANNs) can be employed which collapse non-linear, complex data into a lightweight dictionary of neural weights and biases. This has been successfully demonstrated for the hydrogen in light water $S$($α, β$) dataset in the form of a Neural Thermal Scattering (NeTS) module. In this work, the NeTS framework is extended to consider the impact of material-dependent dynamical features on optimal neural pre-processing and architecture design decisions, such as number of neurons per hidden layer, residual skip connections and neural depth. New NeTS modules for crystalline graphite and beryllium metal illuminate a novel correlation between dynamical nonlinearity and optimal neural parametrization when deploying $S$($α, β$) on-the-fly.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Transient Multiphysics Simulations with Pin Power Reconstruction in the Griffin Reactor Physics Code

This work introduces the pin power reconstruction capability available in the Griffin reactor physics code. This capability is implemented in an unstructured mesh framework, and the methods introduced are applied to the 2D SIMBA reactor core, which has assemblies and pins arranged in a hexagonal lattice. Since this reactor has a non-Cartesian geometry and also operates in the thermal spectrum, a general approach to pin power reconstruction is adopted, where SPH-based equivalence is leveraged to preserve assembly-wise reaction rates, while computing full-core form functions to preserve pin-wise fission production rates within the fuel pins of the reactor core. In a 2D microreactor benchmark problem, this pin power reconstruction approach was shown to reproduce pin powers compared to the Serpent2 Monte Carlo code for fixed temperature conditions and control drum rotation angles, yielding a core-wide RMS error level of 0.6\% and a maximum absolute pin error of 2.3\%. In addition, a tabulated library of multigroup cross sections, SPH factors, and form functions was generated to demonstrate the applicability of pin power reconstruction to a thermal feedback problem. Finally, a control drum transient was successfully simulated, showcasing the application of pin power reconstruction in a transient multiphysics feedback problem.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Measurements of ion-electron energy-transfer cross section in high-energy-density plasmas

Here, we report on measurements of the ion-electron energy-transfer cross section utilizing low-velocity ion stopping in high-energy-density plasmas at the OMEGA laser facility. These measurements utilize a technique that leverages the close relationship between low-velocity ion stopping and ion-electron equilibration. Shock-driven implosions of capsules filled with D 3 He gas doped with a trace amount of argon are used to generate densities and temperatures in ranges from 1 × 10 23 to 2 × 10 24 cm –3 and from 1.4 to 2.5 keV, respectively. The energy loss of 1-MeV DD tritons and 3.7-MeV D 3 He alphas that have velocities lower than the average velocity of the thermal electrons is measured. The energy loss of these ions is used to determine the ion-electron energy-transfer cross section, which is found to be in excellent agreement with quantum-mechanical calculations in the first Born approximation. This result provides an experimental constraint on ion-electron energy transfer in high-energy-density plasmas, which impacts the modeling of alpha heating in inertial confinement fusion implosions, magnetic-field advection in stellar atmospheres, and energy balance in supernova shocks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗