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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Spin dynamics, electronic, and thermal transport properties of two-dimensional CrPS{sub 4} single crystal

2-Dimensional (2D) CrPS{sub 4} single crystals have been grown by the chemical vapor transport method. The crystallographic, magnetic, electronic, and thermal transport properties of the single crystals were investigated by the room-temperature X-ray diffraction, electrical resistivity ρ(T), specific heat C{sub P}(T), and the electronic spin response (ESR) measurements. CrPS{sub 4} crystals crystallize into a monoclinic structure. The electrical resistivity ρ(T) shows a semiconducting behavior with an energy gap E{sub a} = 0.166 eV. The antiferromagnetic transition temperature is about T{sub N} = 36 K. The spin flipping induced by the applied magnetic field is observed along the c axis. The magnetic phase diagram of CrPS{sub 4} single crystal has been discussed. The extracted magnetic entropy at T{sub N} is about 10.8 J/mol K, which is consistent with the theoretical value R ln(2S + 1) for S = 3/2 of the Cr{sup 3+} ion. Based on the mean-field theory, the magnetic exchange constants J{sub 1} and J{sub c} corresponding to the interactions of the intralayer and between layers are about 0.143 meV and −0.955 meV are obtained based on the fitting of the susceptibility above T{sub N}, which agree with the results obtained from the ESR measurements. With the help of the strain for tuning the magnetic properties, monolayer CrPS{sub 4} may be a promising candidate to explore 2D magnetic semiconductors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Friendly Extensible Transfer Tool Beta Version

Often data transfer software is designed to meet specific requirements or apply to specific environments. Frequently, this requires source code integration for added functionality. An extensible data transfer framework is needed to more easily incorporate new capabilities, in modular fashion. Using FrETT framework, functionality may be incorporated (in many cases without need of source code) to handle new platform capabilities: I/O methods (e.g., platform specific data access), network transport methods, data processing (e.g., data compression.).

Collins, William P.↗
DOE OSTI2016

Stability and accuracy of 3D neutron transport simulations using the 2D/1D method in MPACT

A consistent “2D/1D” neutron transport method is derived from the 3D Boltzmann transport equation, to calculate fuel-pin-resolved neutron fluxes for realistic full-core Pressurized Water Reactor (PWR) problems. The 2D/1D method employs the Method of Characteristics to discretize the radial variables and a lower order transport solution to discretize the axial variable. This paper describes the theory of the 2D/1D method and its implementation in the MPACT code, which has become the whole-core deterministic neutron transport solver for the Consortium for Advanced Simulations of Light Water Reactors (CASL) core simulator VERA-CS. Several applications have been performed on both leadership-class and industry-class computing clusters. Results are presented for whole-core solutions of the Watts Bar Nuclear Power Station Unit 1 and compared to both continuous-energy Monte Carlo results and plant data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Radiation Transport [Slides]

We present an overview of radiation transport, covering terminology, blackbody radiation, opacities, Boltzmann transport theory, approximations to the transport equation. Next we introduce several transport methods. We present a section on Caseology, observing transport boundary layers. We briefly broach topics of software development, including verification and validation, and we close with a section on high energy-density experiments that highlight and support radiation transport.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Comparison of Generation of Higher-Order Neutron Scattering Cross Sections

The generation of high-order neutron scattering cross sections consistent with high-fidelity simulations remains an area of active research. Popular options include generating cross sections from continuous energy Monte Carlo calculations or generating cross sections from a deterministic neutron transport calculation with high-fidelity tabulated cross sections. Both options present challenges. Monte Carlo simulations can naturally process continuous energy cross section data and allow for the general description of anisotropic neutron scattering given a scattering law. However, Monte Carlo simulations are inherently related to particle weighting and it has been suggested that this may be unacceptable for generating high-order neutron scattering cross sections. Deterministic neutron transport calculations can easily calculate high-order moments of the flux to appropriately calculate higher-order neutron scattering cross sections but are generally limited by discretization of space, energy, and angle. In this work, the trade-offs between generation of high-order neutron scattering cross sections via Monte Carlo and deterministic neutron transport methods are investigated. The methods implemented in the Monte Carlo computer program Serpent and the deterministic fast reactor neutron cross section generator MC2-3 are compared. Cross sections resulting from these methods are used in Rattlesnake, a deterministic neutron transport code developed by Idaho National Laboratory (INL), and results are compared to a reference continuous energy Monte Carlo calculation. Whereas previous work investigating the effects of anisotropic neutron scattering has focused on light water reactor (LWR) simulations, this work focuses on high-order neutron scattering cross sections as they relate to fast reactor simulations. To investigate the consequences of the Serpent and MC2-3 methodologies, a test problem is developed. The test problem is a one-dimensional geometry with fast reactor materials designed to demonstrate deep penetration and exacerbate the effects of high-order neutron scattering. Based on the results of the deep penetration test problem, it is concluded that P3 neutron scattering cross sections are sufficient to describe anisotropic scattering in fast reactor materials. Any neutron scattering of order higher than P3 offers negligible change in the eigenvalue of the test problem. Additionally, it is determined that the methodology as implemented in Serpent is applicable for generating high-order neutron scattering cross sections through at least P3 in fast reactor materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Early Career Award: Single Molecule Fluorescence Imaging for a Background-Free Neutrinoless Double Beta Decay Search

This project aimed to develop a suite of novel technologies targeted at detecting individual barium ions produced in neutrinoless double beta decays of 136 Xe, as part of the NEXT program of gaseous xenon detectors. We realized novel molecules which could sense Ba 2+ ions in dry conditions; new microscopy techniques operable in dry noble gases, including the required operating conditions of xenon at 10 bar pressure; and new radiofrequency ion transport methods (developed both theoretically and experimentally) that can transport ions in dense xenon gas. Together, these developments represent a major advance toward a background-free neutrinoless double beta decay experiment based on single molecule fluorescence imaging of Ba 2+ daughter ions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

FARGO3D: A NEW GPU-ORIENTED MHD CODE

We present the FARGO3D code, recently publicly released. It is a magnetohydrodynamics code developed with special emphasis on the physics of protoplanetary disks and planet–disk interactions, and parallelized with MPI. The hydrodynamics algorithms are based on finite-difference upwind, dimensionally split methods. The magnetohydrodynamics algorithms consist of the constrained transport method to preserve the divergence-free property of the magnetic field to machine accuracy, coupled to a method of characteristics for the evaluation of electromotive forces and Lorentz forces. Orbital advection is implemented, and an N-body solver is included to simulate planets or stars interacting with the gas. We present our implementation in detail and present a number of widely known tests for comparison purposes. One strength of FARGO3D is that it can run on either graphical processing units (GPUs) or central processing units (CPUs), achieving large speed-up with respect to CPU cores. We describe our implementation choices, which allow a user with no prior knowledge of GPU programming to develop new routines for CPUs, and have them translated automatically for GPUs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Predicting mesoscale spectral thermal conductivity using advanced deterministic phonon transport techniques

We present a review, demonstration and simulation of phonon transport for the purposes of predicting materials performance at the mesoscale. We focus primarily on the development and implementation of a unified methodology to enable predictive heat transport. We report on the current state of the art as it pertains to deterministic phonon transport methodologies, discussing various topics concerning phonons. In application, we focus on the Self-Adjoint Angular Flux (SAAF) formulation of the Boltzmann transport equation for phonons, and develop the spatial, angular, and material property discretization required to accurately simulate the predictive physics of heat transport in dielectrics. We discuss thermal interfacial resistance and present our formulation of the diffuse mismatch model for simulating phonon interactions at internal boundaries. We have recently developed a deterministic, spectral phonon transport method for predicting effective thermal conductivity ($\kappa_{\textrm{eff}}$), using Bose-Einstein source terms coupled through an average material temperature. In this method, we introduce a closure term to the phonon transport system which acts as a redistribution function for the total energy of the system, and serves as a guide for the amount of non-equilibrium behavior occurring in the system. This method predicts thermal conductivity and equilibrium temperature distributions in homogeneous and heterogeneous materials using data generated by ab initio density functional theory methods. We employ polarization, density of states and full dispersion spectra to resolve thermal conductivity with numerous angular and spatial discretizations. Our implementation utilizes a Richardson iteration on a modified version of the phonon scattering source. The equations associated with this method are solved via a modification of traditional source iteration. We compare the performance of source iteration applied to an existing uncoupled, traditional SAAF method to our new method and comment on the iterative performance of each. We observe ballistic and diffusive phonon scattering as acoustic thickness of the domain changes, and are able to make comparisons between the accuracy and efficiency of both methods.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Vapor phase transport system and method for depositing perovskite semiconductors

Vapor phase transport systems and methods of depositing perovskite films are described. In an embodiment, a deposition method includes feeding a perovskite solution or constituent powder to a vaporizer, followed by vaporization and depositing the constituent vapor as a perovskite film. In an embodiment, a deposition system and method includes vaporizing different perovskite precursors in different vaporization zones at different temperatures, followed by mixing the vaporized precursors to form a constituent vapor, and depositing the constituent vapor as a perovskite film.

Bush, Kevin M. Alexander↗
DOE OSTI2015

Micro transport machine and methods for using same

A micro transport machine may include a substrate and a movable device comprising a drive component responsive to a wireless power source. The movable device is operable to move between a plurality of disparate areas on the substrate.

42 ENGINEERING↗
DOE OSTI2022

Vapor transport growth of MnBi 2 Te 4 and related compounds

Motivated by fine tuning of the magnetic and topological properties of MnBi 2 Te 4 via defect engineering, in this work, we report the crystal growth of MnBi 2 Te 4 and related compounds using vapor transport method and crystal characterization by measuring elemental ratio, magnetic and transport properties, and scanning tunneling microscopy. For the growth of MnBi 2 Te 4 single crystals, I 2 , MnI 2 , MnCl 2 , TeCl 4 , and MoCl 5 are all effective transport agents; chemical transportation occurs faster in the presence of iodides than chlorides. We further successfully grow MnSb 2 Te 4 , MnBi 2-x Sb x Te 4 , and Sb-doped MnBi 4 Te 7 crystals. A small temperature gradient< 20°C between the hot and cold ends of the growth ampoule is critical for the successful crystal growth of MnBi 2 Te 4 and related compounds. Compared to flux grown crystals, vapor transported crystals tend to be Mn stoichiometric, and Sb-bearing compositions have more Mn/Sb site mixing. The vapor transport growth provides a new materials synthesis approach to fine tune the magnetic and topological properties of these intrinsic magnetic topological insulators where controlling defects is vital.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Local nematic susceptibility in stressed BaFe 2 As 2 from NMR electric field gradient measurements

The electric field gradient (EFG) tensor at the 75 As site couples to the orbital occupations of the As p orbitals and is a sensitive probe of local nematicity in BaFe 2 As 2 . We use nuclear magnetic resonance to measure the nuclear quadrupolar splittings and find that the EFG asymmetry responds linearly to the presence of a strain field in the paramagnetic phase. We extract the nematic susceptibility from the slope of this linear response as a function of temperature and find that it diverges near the structural transition, in agreement with other measures of the bulk nematic susceptibility. In conclusion, our work establishes an alternative method to extract the nematic susceptibility which, in contrast to transport methods, can be extended inside the superconducting state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Methodology and Software for Gross Defect Detection of Spent Nuclear Fuel at the Atucha-I Reactor [Novel Methodology and Software for Spent Fuel Gross Defect Detection at the Atucha-I Reactor]

Here, fuel assemblies in the spent fuel pool are stored by suspending them in two vertically stacked layers at the Atucha Unit 1 nuclear power plant (Atucha-I). This introduces the unique problem of verifying the presence of fuel in either layer without physically moving the fuel assemblies. Given that the facility uses both natural uranium and slightly enriched uranium at 0.85 wt% 235 U and has been in operation since 1974, a wide range of burnups and cooling times can exist in any given pool. A gross defect detection tool, the spent fuel neutron counter (SFNC), has been used at the site to verify the presence of fuel up to burnups of 8000 MWd/t. At higher discharge burnups, the existing signal processing software of the tool was found to fail due to nonlinearity of the source term with burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Spatially Continuous Depletion Algorithm for Monte Carlo Simulations

To correctly predict reactor behavior during cycle operations, the evolution of nuclide number densities throughout the core must be accurately modeled. The time-varying spatial distribution of nuclide number densities is typically resolved by discretizing the Monte Carlo geometry into smaller cells over which number densities are assumed to be spatially invariant. The nuclide number densities in these smaller cells are integrated through time using reaction rate tallies on the same discretized geometry. However, detailed distributions of nuclide number densities in a full three dimensional simulation can require a prohibitive amount of tallies, and the spatial discretization of the base geometry makes coupling to external multi-physics tools difficult. In this paper a method for solving for spatially continuous number density distributions during depletion calculations will be described. The spatially continuous number densities can be used in the transport method proposed by Brown and Martin which allows for transporting neutrons through a material with continuously varying properties such as temperature and nuclide number densities. Coupled with the ability of Functional Expansion Tallies (FETs) to represent tallied quantities as continuous functions, it is possible to both solve for and make use of spatially continuous nuclide number densities. The need for this capability was alluded to by Brown et. al., but no solution has yet been proposed. With a continuous depletion method, recent work which utilized FETs and continuous material tracking to incorporate multi-physics feedback in Monte Carlo simulations can be extended to simulations that include depletion analysis. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Phonon transport governed by intrinsic scattering in short-period AlN/GaN superlattices

Here we employ density functional theory based phonon transport methods to provide a rigorous understanding of the nature of thermal transport in coherent short-period AlN/GaN superlattices (SLs), with period lengths up to three unit cells of each, and compare these with properties of their bulk constituents. Increasing the period length leads to phonon band folding with frequency gaps and thus smaller phonon velocities and more phonon scattering than in bulk, both of which reduce lattice thermal conductivity (κ). Contrary to expectations, we find that velocity variations among larger-period AlN/GaN SLs play only a minor role in cross-plane κ reductions, while variations in intrinsic phonon scattering are strongly correlated with their transport behaviors. This work provides insights into the microscopic behaviors of technologically relevant nanostructured materials, which are likely applicable to a wider range of SL systems and other nanostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1992

Ground-based measurements of galactic cosmic ray fragmentation in shielding

The mean free path for nuclear interactions of galactic cosmic-rays is comparable to shielding and tissue thicknesses present in human interplanetary exploration, resulting in a significant fraction of nuclear reaction products at depth. In order to characterize the radiation field, the energy spectrum, the angular distribution, and the multiplicity of each type of secondary particles must also be known as a function of depth. Reactions can take place anywhere in a thick absorber; therefore, it is necessary to know these quantities as a function of particle energy for all particles produced. HZE transport methods are used to predict the radiation field; they are dependent on models of the interaction of man-made systems with the space environment to an even greater extent than methods used for other types of radiation. Hence, there is a major need to validate these transport codes by comparison with experimental data. The most cost-effective method of validation is a comparison with ground-based experimental measurements. A research program to provide such validation measurements using neon, iron and other accelerated heavy ion beams will be discussed and illustrated using results from ongoing experiments and their comparison with current transport codes. The extent to which physical measurements yield radiobiological predictions will be discussed.

NASA Discipline Radiation Health↗