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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Reducing dielectric loss and enhancing electrical insulation for multilayer polymer films by nanoconfined ion transport under high poling electric fields

High temperature polar polymers have demonstrated potential for good thermal stability and high dielectric constant at the same time. However, polarization of contaminated impurity ions in polar polymers, even at the ppm level, can significantly increase the dielectric loss at high temperature and low frequencies. One effective strategy to mitigate this problem is to multilayer them with a high temperature nonpolar dielectric polymer to confine impurity ion transport at the nanometer scale. In this study, confined ion transport in high temperature polycarbonate (HTPC)/poly(vinylidene fluoride) (PVDF) multilayer films under high AC electric fields was studied using a direct analytical simulation method. Different from the ion transport under low fields, the ion diffusion model failed to describe the ion transport under high electric fields. An exponential ion distribution profile, which was observed for the DC poling situation, was employed to implement the direct analytical simulation. Confined impurity ion transport under high AC fields was quantitatively understood. As the AC field increased, the mobile ion concentration decreased whereas the diffusion coefficient increased. The decrease of mobile ion concentration was explained by the blockage of impurity ions by the HTPC layers. This knowledge helped in the determination of optimal conditions to polarize impurity ions from the PVDF layers into the HTPC layers. After cooling below the glass transition temperature of HTPC, polarized impurity ions were locked inside the HTPC layers. As a result, increased discharge efficiency and enhanced electrical insulation (i.e., increased dielectric breakdown strength) were achieved for the polarized multilayer films.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accelerated Deterministic Phonon Transport With Consistent Material Temperature and Intensities

Abstract We present a method for deterministically solving the frequency and temperature dependent phonon radiative transport (PRT) equation in the single-mode relaxation time (SMRT) approximation in the self-adjoint angular flux (SAAF) form. To handle the nonlinear coupling between the phonon intensities and the material temperature, we apply a linearization approach that is similar to one in thermal radiative transport. This procedure leads to the PRT equation with pseudo-scattering. The method presented includes acceleration of both the inner pseudo-scattering source iterations and outer temperature iteration with a gray diffusion synthetic acceleration (DSA) and Anderson acceleration, respectively. We use the finite-element method to discretize the PRT equation in space and the method of discrete ordinates (SN) for angular discretization. The proposed method is verified by a gray method of manufactured solutions problem and demonstrated on a problem using temperature and direction dependent multigroup data from lithium aluminate (LiAlO2). The iterative performance of the acceleration method in each test is then compared to the unaccelerated method.

Engineering↗
DOE OSTI2022

Enhancement of 2D topological semimetal transport properties by current annealing

Observation of intrinsic quantum transport properties of two-dimensional (2D) topological semimetals can be challenging due to suppression of high mobility caused by extrinsic factors introduced during fabrication. We demonstrate current annealing as a method to substantially improve electronic transport properties of 2D topological semimetal flakes. Contact resistance and resistivity were improved by factors up to 2 × 10 6 and 2 × 10 4 , respectively, in devices based on exfoliated flakes of two topological semimetals, ZrSiSe and BaMnSb 2 . Using this method, carrier mobility in ZrSiSe was improved by a factor of 3800, resulting in observation of record-high mobility for exfoliated ZrSiSe. Quantum oscillations in annealed ZrSiSe appeared at magnetic fields as low as 5 T, and magnetoresistance increased by a factor of 10 4 . We argue that a thermal process underlies this improvement. Finally, Raman spectroscopy and analysis of quantum oscillations in ZrSiSe indicate that the phonon modes and Fermi surface area are unchanged by current annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Griffin: A MOOSE-based reactor physics application for multiphysics simulation of advanced nuclear reactors

Griffin is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor physics application for multiphysics simulations of advanced reactor designs jointly developed by Idaho National Laboratory and Argonne National Laboratory. This paper summarizes the motivation, significance, architecture, design, and features of Griffin. Griffin offers flexible and extensible features to address the challenges associated with advanced reactor designs. These features range from fundamental particle transport to specific reactor physics tasks. The features cover a wide range including on-the-fly and traditional two-step cross-section generation methods, steady-state and transient transport solvers suitable for both heterogeneous and homogeneous models, high-fidelity depletion where thousands of isotopes can be tracked and low-fidelity depletion characterized by burnup, etc. The most fundamental aspect that sets Griffin apart from other reactor analysis codes is that it is developed based on the MOOSE framework. A modular development approach is strongly enforced, with multiphysics being an essential element considered since the beginning of Griffin’s development. Griffin links various MOOSE physics modules and couples to other MOOSE-based applications and non-MOOSE-based applications for multiphyiscs simulations. Griffin includes three modules: ISOXML for preparing and managing multigroup cross sections, radiation transport for solving the neutron transport equation, and reactor analysis for user-oriented reactor physics analysis functionalities. Griffin uses various finite element methods for spatial discretization, multigroup approximation for energy discretization and discrete ordinates method, spherical harmonics expansion method, and diffusion approximation for streaming direction discretization to solve the neutron transport equation. Griffin’s flexibility is evidenced through Griffin’s various applications to fast reactor, high-temperature reactor, pebble bed reactor, molten salt reactor, and microreactor designs. Griffin development follows the software quality assurance procedure for MOOSE-based applications and with software requirements consistent with the ASME NQA-1 standard. Griffin has been adopted into the reactor analysis system for the U.S. NRC and is in use at U.S. companies, universities and national laboratories.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The Wiedemann-Franz law in doped Mott insulators without quasiparticles

Many metallic quantum materials display anomalous transport phenomena that defy a Fermi liquid description. In this report we use numerical methods to calculate thermal and charge transport in the doped Hubbard model and observe a crossover separating high- and low-temperature behaviors. Distinct from the behavior at high temperatures, the Lorenz number L becomes weakly doping dependent and less sensitive to parameters at low temperatures. At the lowest numerically accessible temperatures, L roughly approaches the Wiedemann-Franz constant L, even in a doped Mott insulator that lacks well-defined quasiparticles. Decomposing the energy current operator indicates a compensation between kinetic and potential contributions, which may help to clarify the interpretation of transport experiments beyond Boltzmann theory in strongly correlated metals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

The Extended Embedded Self-Shielding Method in SCALE 6.3/Polaris

The SCALE transport lattice code, Polaris, has been previously developed to generate few-group homogenized cross sections for whole-core nodal diffusion simulators in which the embedded self-shielding method (ESSM) is used for resonance self-shielding calculations to process cross sections. Although the ESSM capability has been very successful in light-water reactor analysis, it may require enhancements in computational efficiency; treatment of spatially dependent resonance self-shielding effects; and handling of interrelated resonance effects among fuel, cladding, and control rod materials. Therefore, this study focuses on improving computational efficiency by using a Dancoff-based Wigner–Seitz approximation combined with a material-based resonance categorization, through which a spatially dependent ESSM capability is developed to accurately estimate self-shielded cross sections inside the fuel. Benchmark results show that the new capability significantly enhances computational efficiency and accuracy for spatially dependent local zones within the fuel and through depletion.

ESSM↗
DOE OSTI2023

Moisture-driven CO 2 pump for direct air capture

Direct Air Capture, the chemical separation of carbon dioxide (CO 2 ) from air, is considered a necessary approach to generate negative carbon emissions and in turn limit global warming, though energetic and monetary costs must continue to decline to meet the needed gigaton scale. The promise of energy-efficient and continuous carbon dioxide membrane separation has only recently been investigated with the development of facilitated chemical transport and novel electrochemically driven methods. This work demonstrates the potential for continuous pumping of CO 2 from air using commercial anion exchange membranes driven solely by a water vapor gradient. A reactive transport model that couples ionic transport with moisture sensitive bicarbonate chemistry in charged polymers, also termed moisture swing sorption, was developed alongside experimentally measured equilibrium and transport properties of CO 2 and water vapor in Fumasep FAA-3 to determine the mass transport limits of such a system. The results show that the commercial membrane is kinetically limited by the moisture sensitive chemistry, enabling a CO 2 current of 1.1 μmol/m 2 • s. In diffusion limited materials, a CO 2 pumping flux can reach 11 μmol/m 2 • s in and peak performance is expected with a dry air relative humidity around 50% pumping into a saturated water vapor permeate. In all configurations, water loss becomes the major cost in such a separation and must be managed through optimal polymer design or water recovery mechanisms. The work demonstrates the applicability of a new driving force, the evaporation of water, to meet the energetic demand of CO 2 separation from air.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Next Generation System Analysis Model Recently Added Features and Future Plans - Abstract

The Nuclear Waste Policy Act of 1982, as amended (NWPA 1982), established the federal government’s responsibility to accept spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from waste owners and generators for ultimate disposition. SNF generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is applying integrated waste management system architecture analysis, system engineering, and decision analysis principles to inform potential future decisions regarding potential nuclear waste management system architectures. Architecture analyses of the IWM system are being conducted to support the future deployment of a comprehensive system for managing nuclear waste that considers all major aspects of the back end of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool designed for the express purpose of modeling the IWM system. NGSAM imports data from the Oak Ridge National Laboratory (ORNL) Unified Database (e.g., historic assembly information, thermal profiles for assembly heat, at-reactor dry storage loadings) to ensure that the simulation initializes with a realistic representation of the state of commercial SNF in the United States. Recent major enhancements that have been implemented into NGSAM since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort and buffer car acquisition. • Addition of heavy haul and barge routes for some sites, as well as support for user-defined inter-modal routes. • Updates to the logic that checks the thermal maps prior to package transport. • Addition of an allocation method that predicts when reactor sites will pack assemblies from their pools for dry storage and allocates packages to those reactor sites in the preceding periods, favoring direct transport packages and reducing the number of packages that reactor sites pack for dry storage at their ISFSIs. • Addition of reactor site family operational limits, which are used to limit the number of loads from the pool and from dry storage at a given reactor site per year. • Support has been added for multiple canister loading maps and packages having multiple compatible transportation overpacks. • Updates in the handling of non-commercial fuel, including a new database containing data to support the updates. • Support for repackaging at reactor sites. • Implementing additional output reports or modifying existing reports. • User edits can now be created and edited via the NGSAM website. • Ability to load packages for dry storage at ISF pools. • Same-type package blending at DOE sites. • Support for multi-mode transloading at reactor sites. These new features have improved NGSAM capabilities and/or improve the user experience with the model and will be discussed in more detail. The initial NGSAM requirements for advanced reactor fuels, reprocessing, treatment, and conditioning are preliminary and are described at a high level in this paper: analysts will provide more specific requirements to the NGSAM team in the future. Additionally, there are many data needs associated with modeling advanced reactors in NGSAM, but many of the data or plans are still in progress and/or yet to be fully defined. However, this document describes an initial exploration of the data relevant to this program. Advanced reactor data will likely require revision as concepts evolve and new considerations are made. This is a technical paper that does not take into account contractual limitations or obligations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). For example, under the provisions of the Standard Contract, spent nuclear fuel in multi-assembly canisters is not an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract governs the obligations of the parties, and this paper in no manner supersedes, overrides, or amends the Standard Contract. This paper reflects technical work which could support future decision making by DOE. No inferences should be drawn from this paper regarding future actions by DOE, which are limited both by the terms of the Standard Contract and Congressional appropriations for the Department to fulfill its obligations under the Nuclear Waste Policy Act including licensing and construction of a spent nuclear fuel repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Heat current fluctuations and anomalous transport in low-dimensional carbon lattices

Molecular dynamics simulations and methods of importance sampling are used to study the heat transport of low-dimensional carbon lattices. For both carbon nanotubes and graphene sheets, heat transport is found to be anomalous, violating Fourier’s law of conduction with a system size dependent thermal conductivity and concomitant nonlinear temperature profiles. For carbon nanotubes, the thermal conductivity is found to increase as the square root of the length of the nanotube, while for graphene sheets the thermal conductivity is found to increase as the logarithm of the length of the sheet over the system sizes considered. Furthermore, the particular length dependence and nonlinear temperature profiles place carbon lattices into a universality class with nonlinear lattice models, and suggest that heat transport through carbon nanostructures is better described by a Levy walk rather than simple diffusion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Dissolution of periodic arrays of grains: Upscaling of pore-scale simulations with fast reactions

Upscaling methods are frequently used to derive transport equations at the macroscopic scale from more fundamental equations formulated at the pore scale. These methods typically give a suitable structure for the macroscopic equations and can also provide explicit expressions for the constitutive parameters, such as permeability and dispersion coefficients. Introducing chemical reactions complicates upscaling in at least two important ways. First, the interplay between chemical reactions and transport processes introduces a new length scale, which can be much smaller than the convective or dispersive length scales. A small reactive length scale breaks one of the key assumptions in upscaling; that there is a significant separation in length between the pore-scale and macro-scale processes. The second complication is that if reactions take place at mineral surfaces (dissolution or precipitation) then the pore space itself is evolving in time. In this paper we suggest ways in which these difficulties can be approached, based on analysis of pore-scale simulation data. First, we noticed that the concentration field in successive unit cells has an almost identical spatial variation, with a single scaling factor for each unit cell that is proportional to the incoming reactant flux. Using pore-scale simulations to determine the mass transfer coefficient in a few unit cells, we can calculate the concentration field in the whole domain, even when dissolution is entirely transport limited. Second, we have noticed a time-dependent mapping of the grain shapes from different unit cells. From these observations, we can deduce constitutive relations where the only time-varying parameter is the porosity. Here, we show that a model based on these ideas can quantitatively account for the pore-scale simulation data.

58 GEOSCIENCES↗
DOE OSTI2022

Transport model comparison studies of intermediate-energy heavy-ion collisions

Transport models are the main method to obtain physics information on the nuclear equation of state and in-medium properties of particles from low to relativistic-energy heavy-ion collisions. The Transport Model Evaluation Project (TMEP) has been pursued to test the robustness of transport model predictions in reaching consistent conclusions from the same type of physical model. To this end, calculations under controlled conditions of physical input and set-up were performed with various participating codes. These included both calculations of nuclear matter in a box with periodic boundary conditions, which test separately selected ingredients of a transport code, and more realistic calculations of heavy-ion collisions. Over the years, six studies have been performed within this project. In this intermediate review, we summarize and discuss the present status of the project. We also provide condensed descriptions of the 26 participating codes, which contributed to some part of the project. These include the major codes in use today. After a compact description of the underlying transport approaches, we review the main results of the studies completed so far. They show, that in box calculations the differences between the codes can be well understood and a convergence of the results can be reached. These studies also highlight the systematic differences between the two families of transport codes, known under the names of Boltzmann–Uehling–Uhlenbeck (BUU) and Quantum Molecular Dynamics (QMD) type codes. However, when the codes were compared in full heavy-ion collisions using different physical models, as recently for pion production, they still yielded substantially different results. This calls for further comparisons of heavy-ion collisions with controlled models and of box comparisons of important ingredients, like momentum-dependent fields, which are currently underway. Furthermore, our evaluation studies often indicate improved strategies in performing transport simulations and thus can provide guidance to code developers. Results of transport simulations of heavy-ion collisions from a given code will have more significance if the code can be validated against benchmark calculations such as the ones summarized in this review.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Exploring Object Detection and Image Classification Tasks for Niche Use Case in Naturalistic Driving Studies

Naturalistic driving studies consist of drivers using their personal vehicles and provide valuable real-world data, but privacy issues must be handled very carefully. Drivers sign a consent form when they elect to participate, but passengers do not for a variety of practical reasons. However, their privacy must still be protected. One large study includes a blurred image of the entire cabin which allows reviewers to find passengers in the vehicle; this protects the privacy but still allows a means of answering questions regarding the impact of passengers on driver behavior. A method for automatically counting the passengers would have scientific value for transportation researchers. We investigated different image analysis methods for automatically locating and counting the non-drivers including simple face detection and fine-tuned methods for image classification and a published object detection method. We also compared the image classification using convolutional neural network and vision transformer backbones. Our studies show the image classification method appears to work the best in terms of absolute performance, although we note the closed nature of our dataset and nature of the imagery makes the application somewhat niche and object detection methods also have advantages. We perform some analysis to support our conclusion.

Peruski, Ryan↗
DOE OSTI2026

Quantum Computing Algorithms and Applications for Coherent and Strongly Correlated Chemical Systems

This project advanced quantum algorithms, quantum information theory, strongly correlated electronic structure methods, molecular quantum materials, and exciton transport imaging in coherent condensed phase systems. Across the award period, the team developed new methods for open-quantum-system simulation, Hamiltonian learning, state tomography, reduced-density-matrix and contracted-quantum eigensolver approaches, and quantum diagnostics for device capability and openness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Research and Development to Reduce Impurity Production and Transport of the Impurities to the Target in Linear Plasma Devices Using Helicon Plasma Sources

Linear plasma devices used to test plasma facing materials (PFMs) and components for fusion reactors are often suffering under the production of intrinsic impurities from the plasma source system. Most linear plasma devices use internal electrodes (hollow cathodes, reflex arc, or cascading arc), which typically are the source of the main impurities. The next-generation plasma generators use radio frequency (RF) plasma sources like helicons to avoid internal electrodes. However, high power operation of helicons has proven to result in impurity production due to the high rectified sheath voltages created. Depending on the plasma parameters and magnetic configuration, these impurities can be transported to the target and deposited there to unacceptable high levels. Here, in this contribution, the experimental results from Proto-MPEX are summarized, and the conclusions of the impurity source physics are given. Methods to reduce the impurity production, the impurity transport, and the net deposition on the target are presented. These methods to reduce the impurity production include Faraday screens to reduce the sheath voltage drop, high-Z refractory coatings to reduce the erosion yield, and wall conditioning methods. Methods to reduce the impurity transport include changes in the magnetic configuration as well as electron heating to change axial and radial temperature profiles. Preliminary results on the effectiveness of some of these methods are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Dancoff-based Wigner-Seitz approximation for the subgroup resonance self-shielding in the VERA neutronic simulator MPACT

The MPACT neutronics module of the Virtual Environment for Reactor Analysis (VERA) has used the subgroup method for resonance self-shielding calculation, for which two-dimensional (2D) fixed-source transport calculations are performed using the method of characteristics for resonance energy groups. When considering thermal feedbacks, the subgroup calculation must be performed at each outer iteration. Therefore, the computing time for cross section processing is a significant burden for computational efficiency. The Dancoff-based Wigner-Seitz approximation (DWA) capability has been implemented into MPACT in conjunction with the subgroup method, which has been used in SCALE/XSProc since SCALE version 6.0 and has recently been called an equivalent Dancoff-factor cell (EDC) method. The issue of relatively large reactivity bias in DWA for the gadolinia rods was resolved by introducing multiple Dancoff factors. Benchmark results for the VERA pressurized and boiling water reactor benchmark suites show that the DWA capability would significantly enhance computational efficiency with comparable accuracy. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Accelerating template generation in resonant anomaly detection searches with optimal transport

We introduce Resonant Anomaly Detection with Optimal Transport (RAD-OT), a method for generating signal templates in resonant anomaly detection searches. RAD-OT leverages the fact that the samples from the conditional probability density of the target features vary approximately linearly along the optimal transport path connecting the resonant feature. This does not assume that the conditional density itself is linear with the resonant feature, allowing RAD-OT to efficiently capture multimodal relationships, changes in resolution, etc. By solving the optimal transport problem, RAD-OT can quickly build a template by interpolating between the background distributions in two sideband regions. We demonstrate the performance of RAD-OT using the LHC Olympics R&D dataset, where we find comparable sensitivity and improved stability with respect to deep learning-based approaches.

Automation↗
DOE OSTI2024

A fully implicit, asymptotic-preserving, semi-Lagrangian algorithm for the time dependent anisotropic heat transport equation

In this paper, we extend the operator-split asymptotic-preserving, semi-Lagrangian algorithm for time dependent anisotropic heat transport equation proposed in Chacón et al. (2014) [18] to use a fully implicit time integration with backward differentiation formulas. The proposed implicit method can deal with arbitrary heat-transport anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ $\ggg$ 1 (with $\mathcal{X}$∥, $ \mathcal{X}$⟂ the parallel and perpendicular heat diffusivities, respectively) in complicated magnetic field topologies in an accurate and efficient manner. Further, the implicit algorithm is second-order accurate temporally and demonstrates an accurate treatment at boundary layers (e.g., island separatrices), which was not ensured by the operator-split implementation. The condition number of the resulting algebraic system is independent of the anisotropy ratio, and is inverted with preconditioned GMRES. We propose a simple preconditioner that renders the finite-dimensional linear operator compact, resulting in mesh-independent convergence rates for topologically simple magnetic fields, and convergence rates scaling as ~ (NΔt) 1/4 (with N the total mesh size and Δt the timestep) in topologically complex magnetic-field configurations. We demonstrate the accuracy and performance of the approach with test problems of varying complexity, including an analytically tractable boundary-layer problem in a straight magnetic field, and a topologically complex magnetic field featuring magnetic islands with extreme anisotropy ratios $\mathcal{X}$∥ /$ \mathcal{X}$⟂ = 10 10 ) .

97 MATHEMATICS AND COMPUTING↗