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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Energy levels, radiative rates, and lifetimes for transitions in W XL

Energy levels and radiative rates are reported for transitions in Br-like tungsten, W XL, calculated with the general-purpose relativistic atomic structure package (GRASP). Configuration interaction (CI) has been included among 46 configurations (generating 4215 levels) over a wide energy range up to 213 Ryd. However, for conciseness results are only listed for the lowest 360 levels (with energies up to ∼43 Ryd), which mainly belong to the 4s{sup 2}4p{sup 5},4s{sup 2}4p{sup 4}4d,4s{sup 2}4p{sup 4}4f,4s4p{sup 6},4p{sup 6}4d,4s4p{sup 5}4d,4s{sup 2}4p{sup 3}4d{sup 2}, and 4s{sup 2}4p{sup 3}4d4f configurations, and provided for four types of transitions, E1, E2, M1, and M2. Comparisons are made with existing (but limited) results. However, to fully assess the accuracy of our data, analogous calculations have been performed with the flexible atomic code, including an even larger CI than in GRASP. Our energy levels are estimated to be accurate to better than 0.02 Ryd, whereas results for radiative rates (and lifetimes) should be accurate to better than 20% for a majority of the strong transitions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Effects of operator splitting and low Mach-number correction in turbulent mixing transition simulations

In this paper, transition and turbulence decay with the Taylor–Green vortex have been effectively used to demonstrate emulation of high Reynolds-number ( R e ) physical dissipation through numerical convective effects of various non-oscillatory finite-volume algorithms for implicit large eddy simulation (ILES), e.g. using the Godunov-based Eulerian adaptive mesh refinement code xRAGE. The inverse-chevron shock tube experiment simulations have been also used to assess xRAGE based ILES for shock driven turbulent mixing, compared with available simulation and laboratory data. The previous assessments are extended to evaluate new directionally-unsplit high-order algorithms in xRAGE, including a correction to address the well-known issue of excessive numerical diffusion of shock-capturing (e.g., Godunov-type) schemes for low Mach numbers. The unsplit options for hydrodynamics in xRAGE are discussed in detail, followed by fundamental tests with representative shock problems. Basic issues of transition to turbulence and turbulent mixing are discussed, and results of simulations of high- R e turbulent flow and mixing in canonical test cases are reported. Finally, compared to the directional-split cases, and for each grid resolution considered, unsplit results exhibit transition to turbulence with much higher effective R e —and significantly more so with the low Mach number correction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Analytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments

VV10 is a powerful nonlocal density functional for long-range correlation that is used to include dispersion effects in many modern density functionals, such as the meta-generalized gradient approximation (mGGA), B97M-V, the hybrid GGA, ωB97X-V, and the hybrid mGGA, ωB97M-V. While energies and analytical gradients for VV10 are already widely available, this study reports the first derivation and efficient implementation of the analytical second derivatives of the VV10 energy. The additional compute cost of the VV10 contributions to analytical frequencies is shown to be small in all but the smallest basis sets for recommended grid sizes. Here, this study also reports the assessment of VV10-containing functionals for predicting harmonic frequencies using the analytical second derivative code. The contribution of VV10 to simulating harmonic frequencies is shown to be small for small molecules but important for systems where weak interactions are important, such as water clusters. In the latter cases, B97M-V, ωB97M-V, and ωB97X-V perform very well. The convergence of frequencies with respect to the grid size and atomic orbital basis set size is studied, and recommendations are reported. Finally, scaling factors to allow comparison of scaled harmonic frequencies with experimental fundamental frequencies and to predict zero-point vibrational energy are presented for some recently developed functionals (including r2SCAN, B97M-V, ωB97X-V, M06-SX, and ωB97M-V).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Dark matter substructure modelling and sensitivity of the Cherenkov Telescope Array to Galactic dark halos

Hierarchical structure formation leads to a clumpy distribution of dark matter in the Milky Way. These clumps are possible targets to search for dark matter annihilation with present and future γ-ray instruments. Many uncertainties exist on the clump distribution, leading to disputed conclusions about the expected number of detectable clumps and the ensuing limits that can be obtained from non-detection. In this paper, we use the CLUMPY code to simulate thousands of skymaps for several clump distributions. This allows us to statistically assess the typical properties (mass, distance, angular size, luminosity) of the detectable clumps. Varying parameters of the clump distributions allows us to identify the key quantities to which the number of detectable clumps is the most sensitive. Focusing our analysis on two extreme clump configurations, yet consistent with results from numerical simulations, we revisit and compare various calculations made for the Fermi -LAT instrument, in terms of number of dark clumps expected and the angular power spectrum for the Galactic signal. We then focus on the prospects of detecting dark clumps with the future CTA instrument, for which we make a detailed sensitivity analysis using open-source CTA software. Based on a realistic scenario for the foreseen CTA extragalactic survey, and accounting for a post-trial sensitivity in the survey, we show that we obtain competitive and complementary limits to those based on long observation of a single bright dwarf spheroidal galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The effect of saturated thermal conduction on clouds in a hot plasma

We numerically investigate the internal evolution of multiphase clouds, which are at rest with respect to an ambient, highly ionized medium (HIM) representing the hot component of the circumgalactic medium. Time-dependent saturated thermal conduction and its implications like condensation rates and mixing efficiency are assessed in multiphase clouds. Our simulations are carried out by using the adaptive mesh refinement code FLASH. The model clouds are initially in both hydrostatic and thermal equilibrium and are in pressure balance with the HIM. Thus, they have steep gradients in both temperature and density at the interface to HIM leading to non-negligible thermal conduction. Several physical processes are considered numerically or semi-analytically: thermal conduction, radiative cooling and external heating of gas, self-gravity, mass diffusion, and dissociation of molecules and ionization of atoms. It turns out that saturated thermal conduction triggers a continuous condensation irrespective of cloud mass. Dynamical interactions with ambient HIM all relate to the radial density gradient in the clouds: (1) mass flux due to condensation is the higher the more homogeneous the clouds are; (2) mixing of condensed gas with cloud gas is easier in low-mass clouds, because of their shallower radial density gradient; and thus (3) accreted gas is distributed more efficiently. A distinct and sub-structured transition zone forms at the interface between cloud and HIM, which starts at smaller radii and is much narrower as deduced from analytical theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hybrid Modeling of Three-Phase Grid-Supporting Inverters for Dynamic Studies

Grid technologies connected by power electronic converter (PEC) interfaces continually implement grid support functions mandated by grid codes and standards. The transition to converter-based generation demands precise PEC models to assess system dynamics, which have been previously overlooked in conventional power systems. This study proposes a hybrid method for analyzing grid-connected three-phase PEC dynamics with the IEEE standard 1547-2018 Volt-VAr mode that combines physics and data-driven techniques. The physics model reflects the PEC’s internal behavior, whereas the data-driven modeling technique evaluates the grid-supporting capabilities of the smart PEC. The system identification approach is used to generate dynamic PEC models based on changing grid voltage and measured current injected into the grid by the PEC. In the Volt-VAr support mode, a detailed topological model including switches is utilized to compare the goodness-of-fit of the extracted hybrid dynamic model. The results demonstrate that the hybrid PEC model in the Volt-VAr mode accurately matches the dynamics with the topological model.

Subedi, Sunil↗
DOE OSTI2017

ACME Priority Metrics (A-PRIME)

A-PRIME, is a collection of scripts designed to provide Accelerated Climate Model for Energy (ACME) model developers and analysts with a variety of analysis of the model needed to determine if the model is producing the desired results, depending on the goals of the simulation. The software is csh scripts based at the top level to enable scientist to provide the input parameters. Within the scripts, the csh scripts calls code to perform the postprocessing of the raw data analysis and create plots for visual assessment.

Evans, KatherineJ.↗
DOE OSTI2017

Numerical convergence improvements for porflow unsaturated flow simulations

Section 3.6 of SRNL (2016) discusses various PORFLOW code improvements to increase modeling efficiency, in preparation for the next E-Area Performance Assessment (WSRC 2008) revision. This memorandum documents interaction with Analytic & Computational Research, Inc. (http://www.acricfd.com/default.htm) to improve numerical convergence efficiency using PORFLOW version 6.42 for unsaturated flow simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Preliminary Feasibility of Printing, Microstructure Analysis and Mechanical Performance of a Down Selected Ni Alloy

This report is submitted as completion of a Milestone 3 deliverable under work package ORNL CT-23OR1304051 in support of the Advanced Materials and Manufacturing Technologies (AMMT) program. The AMMT program is aiming at the faster incorporation of new materials and manufacturing technologies into complex nuclear-related systems. An integrated approach, combining advanced characterization, high-throughput and accelerated testing, modeling and simulation including machine learning and artificial intelligence will be employed. While 316H (Fe-16-18Cr-10-14Ni-2-3Mo-0.04-0.1C) has been identified as a key alloy to be integrated into the AMMT accelerated alloy qualification approach due its relevance for many current and future nuclear energy reactors, many other alloys could be considered for the advanced fabrication of innovate high-performance nuclear components. ANL, INL, ORNL and PNNL are collaborating on identifying the most promising alloy candidates relevant for the AMMT program. A selection criteria matrix was established to evaluate the alloys considering their relative importance and technological readiness levels for nuclear energy applications, with a focus on laser powder bed fusion (LPBF). Due to the broad range of potential candidate alloys, ORNL and INL focused on Ni-based alloys, while ANL and PNNL mainly evaluated Fe-based alloys. PNNL previously published materials scorecards reports on several key alloys and this report is providing a broader overview of Ni-based candidate alloys, expending beyond alloys well-known to the nuclear community. Of particular interest are alloys that are currently commercially available in powder form due to the growing demand from other industries that have invested heavily in additive manufacturing. Among these alloys, Haynes 282 (Fe-20Cr-20Co-8Mo) was selected due to its superior strength at high temperature compared to the code-qualified alloy 617 (Ni-20-24Cr-10-15Co-8-10Mo). To assess the integration of this new alloy into the AMMT digital manufacturing framework, we performed the rapid optimization of alloy 282 printing parameters on a Renishaw 250 machine, the fabrication of sufficient materials for extensive characterization and mechanical testing both at ORNL and INL, and added the printing data into the digital platform via the Peregrine software. A detailed analysis of the LPBF 718 alloy was also conducted, with creep specimens being tested at 600-650°C and characterized by advanced electron microscopy. The alloy superior mechanical strength and great printability associated with the extensive database that has already been generated highlight the promising potential of LPBF 718 as a candidate alloy for the AMMT program. INL, ANL and PNNL have generated similar reports and all the information will be compiled into a final M2 milestone report to provide the AMMT leadership team with clear recommendations on the down selection of reactor materials, as well as establish a roadmap for the qualification of these selected alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Data-driven closure modeling for hypersonic turbulent flows

The Reynolds-averaged Navier–Stokes (RANS) equations remain a workhorse technology for simulating compressible fluid flows of practical interest. Due to model-form errors, however, RANS models can yield erroneous predictions that preclude their use on mission-critical problems. This report summarizes work performed from FY22-FY24 focused on improving RANS models for hypersonic flows using data-driven modeling and scientific machine learning. In this work we: 1. Investigate the current capabilities of RANS models in Sandia’s parallel aerodynamics and re-entry code (SPARC) for hypersonic flows with a focus on shock boundary layer interactions (SBLIs), 2. Assess several established corrections that exist in the literature aimed at improving predictions for SBLIs, 3. Develop improved models for the Reynolds stress tensor using tensor-basis neural networks, 4. Develop a neural-network-based variable turbulent Prandtl number model to reduce errors in wall heating in SBLIs. 5. Begin future investigations including employing the LIFE framework to improve wall heating predictions in SBLIs as well as the ensemble Kalman filter. We find that current RANS models in SPARC are deficient for complex SBLI flows. In particular, no current model jointly predicts wall heat flux, wall shear stress, and wall pressure with reasonable accuracy. Existing corrections help, but do not alleviate this issue altogether. The development of improved models for the Reynolds stress tensor via tensor-basis neural networks results in more predictive RANS models across a suite of low-speed and high-speed cases. For hypersonic boundary layers, the inclusion of the wall-normal Reynolds stress via TBNNs has an appreciable impact on the wall-normal momentum balance and wall quantities. However, we find that improvements to the Reynolds stress tensor do not address the over-prediction in wall heat flux in SBLIs. We find that a neural-network-based variable turbulent Prandtl number model systematically and substantially improves wall heating predictions for a range of SBLI cases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Gas-Cooled High-Temperature Pebble-Bed Reactor Reference Plant Model Updates

This work presents the latest improvements to, and investigations performed with, the pebble-bed high-temperature gas-cooled reactor (PB-HTGR) reference plant models for the United States Nuclear Regulatory Commission. These models serve as the foundation for the future development of detailed design evaluation models based on license applications. The reference plant models have been developed with the Comprehensive Reactor Analysis Bundle, or BlueCRAB, which is the code suite proposed for non-light-water reactor systems safety analysis. It incorporates various simulation tools developed by the Nuclear Energy Advanced Modeling and Simulation program, including the Griffin code for reactor physics, the Pronghorn and SAM codes for core thermal fluids, the BISON code for solid conduction and fuel performance, and the SAM code for system analysis. The primary objective of the work that was performed was to assess BlueCRAB’s level of readiness for modeling a PB-HTGR. To do so, we first developed numerical models in BlueCRAB that include the key physics for this technology to ensure an adequate level of fidelity for modeling PB-HTGR core performance and for performing multiphysics simulations for equilibrium core conditions and different accident scenarios. Then we simulated transient scenarios, including depressurized and pressurized loss of forced cooling accidents, over-cooling, and control rod withdrawal events with delayed and prompt supercritical reactivity insertions. The analysis in this report includes comparisons of the 2D thermal fluid porous media models in Pronghorn and SAM, and comparisons of coupled SAM/Griffin/SAM and coupled Pronghorn/Griffin for depressurized and pressurized loss of forced cooling, over-cooling, and control rod withdrawal events. In addition, we compare 3D, 2D, and 0D/PKE neutronic models for the two control rod withdrawal scenarios with coupled Pronghorn/Griffin. The comparisons show that the BlueCRAB models lead to physically intuitive solutions for the scenarios examined. The changes in the various scalar and vector fields, such as neutron flux, power, temperature, density, pressure, and velocity, are within the expected ranges, and their distributions can be explained by the system response of the transients and the geometric and material variations. Several comparisons suggest that the porous media models in Pronghorn and SAM can lead to similar solutions, even though they are based on different methodologies. This work further highlights the need for flexible tools with various levels of fidelity to cover the breadth and depth of needs that may arise in future technical evaluations of the PB-HTGR. We believe that the BlueCRAB capabilities will be a significant asset for confirmatory analyses in order to resolve important safety questions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

A multirate mass transfer model to represent the interaction of multicomponent biogeochemical processes between surface water and hyporheic zones (SWAT-MRMT-R 1.0)

Abstract. Surface water quality along river corridors can be modulated by hyporheic zones (HZs) that are ubiquitous and biogeochemically active. Watershed management practices often ignore the potentially important role of HZs as a natural reactor. To investigate the effect of hydrological exchange and biogeochemical processes on the fate of nutrients in surface water and HZs, a novel model, SWAT-MRMT-R, was developed coupling the Soil and Water Assessment Tool (SWAT) watershed model and the reaction module from a flow and reactive transport code (PFLOTRAN). SWAT-MRMT-R simulates concurrent nonlinear multicomponent biogeochemical reactions in both the channel water and its surrounding HZs, connecting the channel water and HZs through hyporheic exchanges using multirate mass transfer (MRMT) representation. Within the model, HZs are conceptualized as transient storage zones with distinguished exchange rates and residence times. The biogeochemical processes within HZs are different from those in the channel water. Hyporheic exchanges are modeled as multiple first-order mass transfers between the channel water and HZs. As a numerical example, SWAT-MRMT-R is applied to the Hanford Reach of the Columbia River, a large river in the United States, focusing on nitrate dynamics in the channel water. Major nitrate contaminants entering the Hanford Reach include those from the legacy waste, irrigation return flows (irrigation water that is not consumed by crops and runs off as point sources to the stream), and groundwater seepage resulting from irrigated agriculture. A two-step reaction sequence for denitrification and an aerobic respiration reaction is assumed to represent the biogeochemical transformations taking place within the HZs. The spatially variable hyporheic exchange rates and residence times in this example are estimated with the basin-scale Networks with EXchange and Subsurface Storage (NEXSS) model. Our simulation results show that (1), given a residence time distribution, how the exchange fluxes to HZs are approximated when using MRMT can significantly change the amount of nitrate consumption in HZs through denitrification and (2) source locations of nitrate have a different impact on surface water quality due to the spatially variable hyporheic exchanges.

58 GEOSCIENCES↗
NASA NTRS1980

Application of a reversible chemical reaction system to solar thermal power plants

Three distributed dish solar thermal power systems using various applications of SO2/SO3 chemical energy storage and transport technology were comparatively assessed. Each system features various roles for the chemical system: (1) energy storage only, (2) energy transport, or (3) energy transport and storage. These three systems were also compared with the dish-Stirling, using electrical transport and battery storage, and the central receiver Rankine system, with thermal storage, to determine the relative merit of plants employing a thermochemical system. As an assessment criterion, the busbar energy costs were compared. Separate but comparable solar energy cost computer codes were used for distributed receiver and central receiver systems. Calculations were performed for capacity factors ranging from 0.4 to 0.8. The results indicate that SO2/SO3 technology has the potential to be more cost effective in transporting the collected energy than in storing the energy for the storage capacity range studied (2-15 hours)

Hanseth, E. J.↗
NASA NTRS1985

Error Reduction Program

The details of a study to select, incorporate and evaluate the best available finite difference scheme to reduce numerical error in combustor performance evaluation codes are described. The combustor performance computer programs chosen were the two dimensional and three dimensional versions of Pratt & Whitney's TEACH code. The criteria used to select schemes required that the difference equations mirror the properties of the governing differential equation, be more accurate than the current hybrid difference scheme, be stable and economical, be compatible with TEACH codes, use only modest amounts of additional storage, and be relatively simple. The methods of assessment used in the selection process consisted of examination of the difference equation, evaluation of the properties of the coefficient matrix, Taylor series analysis, and performance on model problems. Five schemes from the literature and three schemes developed during the course of the study were evaluated. This effort resulted in the incorporation of a scheme in 3D-TEACH which is usuallly more accurate than the hybrid differencing method and never less accurate.

Syed, S. A.↗
NASA NTRS1991

Radiation protection for human missions to the Moon and Mars

Radiation protection assessments are performed for advanced Lunar and Mars manned missions. The Langley cosmic ray transport code and the nucleon transport code are used to quantify the transport and attenuation of galactic cosmic rays and solar proton flares through various shielding media. Galactic cosmic radiation at solar maximum and minimum, as well as various flare scenarios are considered. Propagation data for water, aluminum, liquid hydrogen, lithium hydride, lead, and lunar and Martian regolith (soil) are included. Shield thickness and shield mass estimates required to maintain incurred doses below 30 day and annual limits (as set for Space Station Freedom and used as a guide for space exploration) are determined for simple geometry transfer vehicles. On the surface of Mars, dose estimates are presented for crews with their only protection being the carbon dioxide atmosphere and for crews protected by shielding provided by Martian regolith for a candidate habitat.

Simonsen, Lisa C.↗
NASA NTRS1991

Practical response to radiation assessment for spacecraft design

An innovative radiative assessment system that combines the advantages of computer-aided design and enhanced radiative transport codes is described. An analysis of a Space Station habitat module is carried out. A scheme that makes it possible to account for anisotropies existing in the radiation environment of LEO is developed.

Appleby, M. H.↗
NASA NTRS1991

Mission and system optimization of nuclear electric propulsion vehicles for lunar and Mars missions

The detailed mission and system optimization of low thrust electric propulsion missions is a complex, iterative process involving interaction between orbital mechanics and system performance. Through the use of appropriate approximations, initial system optimization and analysis can be performed for a range of missions. The intent of these calculations is to provide system and mission designers with simple methods to assess system design without requiring access or detailed knowledge of numerical calculus of variations optimizations codes and methods. Approximations for the mission/system optimization of Earth orbital transfer and Mars mission have been derived. Analyses include the variation of thruster efficiency with specific impulse. Optimum specific impulse, payload fraction, and power/payload ratios are calculated. The accuracy of these methods is tested and found to be reasonable for initial scoping studies. Results of optimization for Space Exploration Initiative lunar cargo and Mars missions are presented for a range of power system and thruster options.

Gilland, James H.↗
NASA NTRS1997

Inlet Distortion for an F/A-18A Aircraft During Steady Aerodynamic Conditions up to 60 deg Angle of Attack

The effects of high-angle-of-attack flight on aircraft inlet aerodynamic characteristics were investigated at NASA Dryden Flight Research Center, Edwards, California, as part of NASA's High Alpha Technology Program. The highly instrumented F/A-18A High Alpha Research Vehicle was used for this research. A newly designed inlet total-pressure rake was installed in front of the starboard F404-GE-400 engine to measure inlet recovery and distortion characteristics. One objective was to determine inlet total-pressure characteristics at steady high-angle-of-attack conditions. Other objectives include assessing whether significant differences exist in inlet distortion between rapid angle-of-attack maneuvers and corresponding steady aerodynamic conditions, assessing inlet characteristics during aircraft departures, providing data for developing and verifying computational fluid dynamic codes, and calculating engine airflow using five methods. This paper addresses the first objective by summarizing results of 79 flight maneuvers at steady aerodynamic conditions, ranging from -10 deg to 60 deg angle of attack and from -8 deg to 11 deg angle of sideslip at Mach 0.3 and 0.4. These data and the associated database have been rigorously validated to establish a foundation for understanding inlet characteristics at high angle of attack.

Walsh, Kevin R.↗