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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Sensitivity of He Flames in X-Ray Bursts to Nuclear Physics

Through the use of axisymmetric 2D hydrodynamic simulations, we further investigate laterally propagating flames in X-ray bursts (XRBs). Our aim is to understand the sensitivity of a propagating helium flame to different nuclear physics. Using the Castro simulation code, we confirm the phenomenon of enhanced energy generation shortly after a flame is established by adding 12 C(p, γ) 13 N(α, p) 16 O to the network, in agreement with the past literature. This sudden outburst of energy leads to a short accelerating phase, causing a drastic alteration in the overall dynamics of the flame in XRBs. Furthermore, we investigate the influence of different plasma screening routines on the propagation of the XRB flame. We finally examine the performance of simplified spectral deferred correction, a novel approach to hydrodynamics and reaction coupling incorporated in Castro, as an alternative to operator splitting.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

A Simplified Numerical Approach to Characterize the Thermal Response of a Moving Bed Solar Reactor

Abstract Concentrated solar thermochemical storage in the form of a zero-emission fuel is a promising option to produce long-duration energy storage. Solar fuel is produced using a cavity reactor that captures concentrated solar radiation from a solar field of heliostats. In this paper, heat transfer model of a tubular plug-flow reactor designed and manufactured for a solar fuel production is presented. Experimental data collected from a fixed bed tubular reactor testing are used for model comparison. The system consists of an externally heated tube with counter-current flowing gas and moving solid particles as the heated media. The proposed model simulates the dynamic behavior of temperature profiles of the tube wall, gas, and particles under various gas flowrates and residence times. The heat transfer between gas–wall, solid particle–wall, and gas–solid particle is numerically studied. The model results are compared with the results of experiments done using a 4 kW furnace with a 150 mm heating zone surrounding a horizontal alumina tube (reactor) with 50.8 mm outer diameter and thickness of 3.175 mm. Solid fixed particles of magnesium manganese oxide (MgMn2O4) with the size of 1 mm are packed within the length of 250 mm at the center of the tube length. Simulation results are assessed with respect to fixed bed experimental data for four different gas flowrates, namely, 5, 10, 15, and 20 standard liters per minute of air, and furnace temperatures in the range of 200–1200 °C. The simulation results showed good agreement with maximum steady state error that is less than 6% of those obtained from the experiments for all runs. The proposed model can be implemented as a low-order physical model for the control of temperature inside plug-flow reactors for thermochemical energy storage applications.

Engineering↗
DOE OSTI2022

A Model for Radiolysis in a Flowing-Water Target during High-Intensity Proton Irradiation

At the Facility for Rare Isotope Beams (FRIB), interactions between heavy-ion beams and beam-dump water will create a wide variety of radionuclides which can be accessed by a technique known as “isotope harvesting”. However, irradiation of water is always accompanied by the creation of numerous radical, ionic, and molecular radiolysis products. Some of the radiolysis products have sufficiently long lifetimes to accumulate in the irradiated water and affect the harvesting chemistry. Here we investigate the formation of hydrogen peroxide, molecular hydrogen, and molecular oxygen during a high-intensity proton irradiation of a flowing-water isotope-harvesting target and compare the experimental results to simulations. The simulations kinetically model the chemical reactions occurring in the homogeneous phase of radiolysis in flowing water and establish an “effective yield”. In both the experiment and simulations, the bulk quantities of H 2 , H 2 O 2 , and O 2 are considerably lower than predicted by primary radiolysis yields (escape yields), meaning that in the high beam intensity regime the homogeneous phase reactions have a considerable impact on the overall chemical composition of the water. Further, it could be shown that for radiation which is characterized by a limited linear energy transfer, such as the here applied protons, the bulk outcome of the microscopic kinetic modeling could be estimated by a simplified steady-state model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Temperature distribution in a laser-heated diamond anvil cell as described by finite element analysis

Finite element analysis (FEA) is a powerful tool for numerically solving partial differential equations over complex geometries and is thus useful for analyzing heat transport in laser-heated diamond anvil cell (LHDAC) experiments. Our models expand on previously published simulations by calculating the volume-averaged temperatures of both the sample and insulation/pressure media under steady-state heating to determine the thermal pressure of the hot sample. Our goal is to produce an accurate relationship between the measured surface temperature of the absorbing sample and the temperature of the transparent insulating media, which is used to determine thermal pressure but susceptible to steep temperature gradients. We find that in doing so, our FEA models of temperature within the pressure/insulation media can differ from simplified estimates of temperature gradients by more than a factor of 2. We also explore temperature-dependent and temperature-independent thermal conductivity models and find that the volume-averaged temperatures differ by up to a factor of 1.3, forcing the predicted thermal pressures determined to also differ by up to a factor of 1.5 at a temperature of 2000 K at 50 GPa for neon. Higher temperatures exacerbate this difference. We also find that unintentional asymmetric sample insertion and sample heating, which are common in LHDAC experiments, do not have a first-order effect on volume-averaged temperatures. The FEA models, available in both Python and FlexPDE, are versatile across different sample geometries, materials, and heat source laser shapes.

Farah, Frederick↗
DOE OSTI2022

An Improved Method for Coupling Hydrodynamics with Astrophysical Reaction Networks

Reacting astrophysical flows can be challenging to model, because of the difficulty in accurately coupling hydrodynamics and reactions. This can be particularly acute during explosive burning or at high temperatures where nuclear statistical equilibrium is established. We develop a new approach, based on the ideas of spectral deferred corrections (SDC) coupling of explicit hydrodynamics and stiff reaction sources as an alternative to operator splitting, that is simpler than the more comprehensive SDC approach we demonstrated previously. We apply the new method to a double-detonation problem with a moderately sized astrophysical nuclear reaction network and explore the time step size and reaction network tolerances, to show that the simplified-SDC approach provides improved coupling with decreased computational expense compared to traditional Strang operator splitting. This is all done in the framework of the Castro hydrodynamics code, and all algorithm implementations are freely available.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Implementation of hybrid finite element method based transport solver in GRIFFIN

A new transport solver option based on the hybrid FEM (HFEM) was implemented in GRIFFIN, the MOOSE-based reactor analysis code, as an effort to support routine core design calculations for advanced reactor applications. The HFEM formulation with P{sub N} (spherical harmonics expansion), akin to the variational nodal method, is effective for solving a spatially homogenized problem with strong transport effect. The residual and Jacobian evaluations of the HFEM weak form were derived and successfully implemented in GRIFFIN, having the diffusion and the PN options available in the new HFEM based transport solver. The performance was tested with the simplified ABTR benchmark problems. The results indicate that the HFEM-based transport solver is a feasible option for solving problems with spatially homogenized and strong streaming by providing superior accuracy with a proper p-refinement. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Declining groundwater storage expected to amplify mountain streamflow reductions in a warmer world

Abstract Groundwater interactions with mountain streams are often simplified in model projections, potentially leading to inaccurate estimates of streamflow response to climate change. Here, using a high-resolution, integrated hydrological model extending 400 m into the subsurface, we find groundwater an important and stable source of historical streamflow in a mountainous watershed of the Colorado River. In a warmer climate, increased forest water use is predicted to reduce groundwater recharge resulting in groundwater storage loss. Losses are expected to be most severe during dry years and cannot recover to historical levels even during simulated wet periods. Groundwater depletion substantially reduces annual streamflow with intermittent conditions predicted when precipitation is low. Expanding results across the region suggests groundwater declines will be highest in the Colorado Headwater and Gunnison basins. Our research highlights the tight coupling of vegetation and groundwater dynamics and that excluding explicit groundwater response to warming may underestimate future reductions in mountain streamflow.

Carroll, Rosemary W. H. (ORCID:0000000293028074)↗
DOE OSTI2024

Wideband Impedance Passivation of MMCs for Suppressing Harmonic Oscillations

Harmonic instability and associated oscillation events have become one of the main concerns in MMC-based HVdc systems. These oscillations can appear in the range from a few hundred hertz to several kilohertz, and the root cause is identified as delay-induced negative damping of MMC impedance appearing at the system resonance frequency. Here, this paper introduces a wideband impedance reshaping method through MMC control to eliminate such negative damping for both grid-following (GFL) and grid-forming (GFM) MMCs, which makes the MMC impedance completely passive from the second harmonic frequency upward, thus preventing all harmonic oscillations. First, simplified impedance models of MMCs are derived for the harmonic stability analysis and the impedance reshaping control design. Next, a passivity-based impedance reshaping method is presented, as well as practical considerations for its implementation. In addition, to maintain the MMC's disturbance ride-through capability, an adaptive activation scheme is developed, which enables the wideband impedance reshaping control only in the presence of harmonic oscillation events. The effectiveness of the proposed method is validated by frequency domain analysis and by electromagnetic transient (EMT) simulations of two typical MMC-based power systems.

17 WIND ENERGY↗
DOE OSTI2023

Reassessing the MCNP Random Number Generator

Random number generators are integral components to Monte Carlo codes. They provide the pseudorandom number sequence used to actually sample the distributions of interest. As a result, they are one of the most important components to the software. The current recommended MCNP random number generator is a 63-bit linear congruential generator (LCG). This generator is quite fast, but it has some drawbacks. First, it only has a period of 2 63 . Due to the necessarily non-optimal usage of random numbers to ensure parallel reproducibility, this amount is too few to guarantee random number sequences are not reused in all configurations the code runs under. As simulation size increases, users will need to be aware of the limitations of the generator and tune configuration variables to best suit their simulations, or they will need to assume that reuse is not negatively affecting their answers. Neither of these are optimal. Second, small LCGs are fairly weak in bit generation quality, and this can have an unknown impact on the quality of the simulation. This paper is an investigation into whether or not more modern random number generators can supersede the current ones. The goal is to find a generator that is similar or superior in speed to the LCGs, has a state space large enough to make strong guarantees about random number reuse, and passes all modern random number test suites. If such a generator is found, it would eliminate the need for the user to even be aware of the limitations of the random number generator and would simplify the use of the code. This paper will be broken into several parts. Sec. 2 will discuss the evolution of the random number generator within the MCNP code. Sec. 3 will go over what a Monte Carlo code needs from a generator to be reproducible and portable and how the current generator behaves in that light. Sec. 4 goes through how each generator was tested. Finally, Sec. 5 will discuss improvements that could be made to the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Solar-Tracker Diffuse-Response Algorithm for Balancing Energy Gain and Mechanical Wear in Photovoltaic Systems

Single-axis solar tracking maximizes photovoltaic energy production under clear-sky conditions; however, its effectiveness decreases under cloudy and overcast skies, where diffuse irradiance dominates and the optimal module orientation changes. Conventional tracking algorithms either neglect sky conditions or rely on simplified diffuse-response strategies that may trigger frequent tracker repositioning under variable cloud cover, leading to increased mechanical wear with marginal energy gains. This work proposes an enhanced diffuse-response tracking algorithm that explicitly accounts for both the intensity and temporal persistence of cloudiness. By requiring overcast conditions to persist for a minimum duration before reorienting the tracker to a diffuse-stow position, the proposed approach reduces unnecessary movements while preserving the benefits of diffuse-response operation. The algorithm is evaluated through numerical simulations based on historical meteorological data and validated using field measurements on monofacial and bifacial photovoltaic strings. The results show that the proposed strategy reduces excess tracker movement from 114% to 0.16% while maintaining nearly the same energy yield. Compared to a conventional diffuse-response algorithm, the associated energy reduction is minimal (≈0.17%) relative to the ≈0.37% yield gain observed at the studied location. These findings demonstrate that incorporating cloudiness duration enables a practical compromise between energy performance and tracker durability, particularly for monofacial photovoltaic systems.

14 SOLAR ENERGY↗
DOE OSTI2025

Incorporating geological structure into sensitivity analysis of subsurface contaminant transport

Simulating subsurface contaminant transport at the kilometer-scale often entails modeling reactive flow and transport within and through complex geologic structures. These structures are typically meshed by hand and as a result geologic structure is usually represented by one or a few deterministically generated geological models for uncertainty studies of flow and transport in the subsurface. Uncertainty in geologic structure can have a significant impact on contaminant transport. In this study, the impact of geologic structure on contaminant tracer transport in a shale formation is investigated for a simplified generic deep geologic repository for permanent disposal of spent nuclear fuel. An open-source modeling framework is used to perform a sensitivity analysis study on transport of two tracers from a generic spent nuclear fuel repository with uncertain location of the interfaces between the stratum of the geologic structure. The automated workflow uses sampled realizations of the geological structural model in addition to uncertain flow parameters in a nested sensitivity analysis. Concentration of the tracers at observation points within, in line with, and downstream of the repository are used as the quantities of interest for determining model sensitivity to input parameters and geological realization. Finally, the results of the study indicate that the location of strata interfaces in the geological structure has a first-order impact on tracer transport in the example shale formation, and that this impact may be greater than that of the uncertain flow parameters.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Single Iridium Atom Doped Ni 2 P Catalyst for Optimal Oxygen Evolution

Single-atom catalysts (SACs) with 100% active sites have excellent prospects for application in the oxygen evolution reaction (OER). However, further enhancement of the catalytic activity for OER is quite challenging, particularly for the development of stable SACs with overpotentials <180 mV. Here, we report an iridium single atom on Ni 2 P catalyst (Ir SA -Ni 2 P) with a record low overpotential of 149 mV at a current density of 10 mA·cm –2 in 1.0 M KOH. The Ir SA -Ni 2 P catalyst delivers a current density up to ∼28-fold higher than that of the widely used IrO 2 at 1.53 V vs RHE. Both the experimental results and computational simulations indicate that Ir single atoms preferentially occupy Ni sites on the top surface. The reconstructed Ir–O–P/Ni–O–P bonding environment plays a vital role for optimal adsorption and desorption of the OER intermediate species, which leads to marked enhancement of the OER activity. Additionally, the dynamic “top-down” evolution of the specific structure of the Ni@Ir particles is responsible for the robust single-atom structure and, thus, the stability property. In conclusion, this Ir SA -Ni 2 P catalyst offers novel prospects for simplifying decoration strategies and further enhancing OER performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Optimization Plugin Library

The Optimization Plugin library ("op") is a lightweight general optimization solver interface. The primary purpose of op is to simplify the process of integrating different optimization solvers (serial or parallel) with scalable parallel physics engines. By design it has several features that help make this a reality. The core abstraction interface was developed to encompass a large class of optimization problems in an optimizer-agnostic way. This enables us to describe the optimization problem once and then use a variety of supported "op" optimizers with ideally no code-changes. The abstraction interface is made up of lightweight wrappers that make it easy to integrate with existing simulation codes. This makes integration less intrusive and should minimize changes to existing physics codes. The "op" interface includes an assortment of utility methods that help specify parallel communication patterns as well as methods to convert from optimization-specific interfaces to the more general "op" interface. Lastly a dynamic library linking interface is provided to allow for use of proprietary optimization engines without explicit reference in the source code, along with standard shared library interfaces for opensource engines.

Jekel, CharlesF↗
DOE OSTI2024

A parallel and performance portable implementation of a full-field crystal plasticity model

We have developed a parallel implementation of an Elasto-Viscoplastic Fast Fourier Transform-based (EVPFFT) micromechanical solver to enable computationally efficient crystal plasticity modeling for polycrystalline materials. Our primary focus lies in achieving performance portability, allowing a single EVPFFT implementation to run optimally on various homogeneous architectures, including multi-core Central Processing Units (CPUs), as well as on heterogeneous computer architectures comprising multi-core CPUs and Graphics Processing Units (GPUs) from different vendors. To accomplish this goal, we have leveraged MATAR, a C++ software library that simplifies the creation and utilization of multidimensional dense or sparse matrix and array data structures. These data structures are designed to be portable across diverse architectures through the use of Kokkos, a performance-portable library. Additionally, we have employed the Message Passing Interface (MPI) to efficiently distribute the computational workload among processors. The heFFTe (Highly Efficient FFT for Exascale) library is used to facilitate the performance portability of the fast Fourier transforms (FFTs) computation. The computational performance of EVPFFT is evaluated and presented in terms of parallel scalability and simulation runtime on different high-performance computing (HPC) architectures. As a result, the utility of the developed framework to efficiently simulate the micro-mechanical fields in polycrystalline microstructures in engineering applications is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Magnetic Field Mapping of a 2.5 T Fixed-Field HTS Gantry Magnet for Proton Therapy

We present results from testing a high-temperature superconducting (HTS) magnet prototype for proton therapy. This magnet is specifically designed for a novel rotating gantry capable of delivering the entire proton beam energy range (70225 MeV) while maintaining a fixed magnetic field in the superconducting magnets. The gantry layout simplifies the magnet design, enabling the use of straight, flat racetrack Bi-2223 (DI-BSCCO) coil technology and operation at higher temperatures (1015 K). The magnet has a non-linear field distribution for bending and focusing the proton beams. To validate this feature, we developed a system for measuring the magnetic field distribution in the magnet aperture. We present the design of this hall probe array and experimental results from two different magnet tests at 4.2 K in a liquid helium bath. These results are compared with the simulated field distribution and discussed in the context of the required field quality for the application.

Mosat, M↗
DOE OSTI2023

Selective area doping for Mott neuromorphic electronics

The cointegration of artificial neuronal and synaptic devices with homotypic materials and structures can greatly simplify the fabrication of neuromorphic hardware. We demonstrate experimental realization of vanadium dioxide (VO 2 ) artificial neurons and synapses on the same substrate through selective area carrier doping. By locally configuring pairs of catalytic and inert electrodes that enable nanoscale control over carrier density, volatility or nonvolatility can be appropriately assigned to each two-terminal Mott memory device per lithographic design, and both neuron- and synapse-like devices are successfully integrated on a single chip. Feedforward excitation and inhibition neural motifs are demonstrated at hardware level, followed by simulation of network-level handwritten digit and fashion product recognition tasks with experimental characteristics. Spatially selective electron doping opens up previously unidentified avenues for integration of emerging correlated semiconductors in electronic device technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Modeling, Performance Assessment, and Nodal Data Analysis of TRISO-Fueled Systems with Shift

This technical report documents several enhancements to the Shift Monte Carlo (MC) code under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2022. Performance enhancements were added to Shift specifically for tristructural isotropic (TRISO)–fueled reactor systems and guided based on performance analysis in FY 2021. For the pebble performance model developed in previous studies, the runtime improved by ~ 91× compared to the original model and ~ 2× compared to the user-optimized model. Compared to Serpent, Shift is ~ 3× slower if Serpent delta-tracking is enabled but ~ 2× faster when delta-tracking is disabled. The multigroup cross section generation was improved through simplifying tally input definitions, porting several post-processing tally operations from Python scripts into the Shift code base, and accounting for production reactions in the scattering multiplicity. Progress was also made on two emerging capabilities: (1) the development of Titan (a Shift reactor physics user interface) and (2) initial investigation into path-length tallies for computing multigroup scattering matrices.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

The TESS-Keck Survey. III. A Stellar Obliquity Measurement of TOI-1726 c

We report the measurement of a spectroscopic transit of TOI-1726c, one of two planets transiting a G-type star with V = 6.9 in the Ursa Major Moving Group (∼400 Myr). With a precise age constraint from cluster membership, TOI-1726 provides a great opportunity to test various obliquity excitation scenarios that operate on different timescales. By modeling the Rossiter–McLaughlin (RM) effect, we derived a sky-projected obliquity of −1{sub −32}{sup +35{sup ∘}}. This result rules out a polar/retrograde orbit and is consistent with an aligned orbit for planet c. Considering the previously reported, similarly prograde RM measurement of planet b and the transiting nature of both planets, TOI-1726 tentatively conforms to the overall picture that compact multitransiting planetary systems tend to have coplanar, likely aligned orbits. TOI-1726 is also a great atmospheric target for understanding differential atmospheric loss of sub-Neptune planets (planet b 2.2 R {sub ⊕} and c 2.7 R {sub ⊕} both likely underwent photoevaporation). The coplanar geometry points to a dynamically cold history of the system that simplifies any future modeling of atmospheric escape.

79 ASTRONOMY AND ASTROPHYSICS↗