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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Screening of metal complexes and organic solvents using the COSMOSAC-LANL model to enhance the energy density in a non-aqueous redox flow cell: an insight into the solubility

In this paper, we have proposed a first-principles methodology to screen transition metal complexes against a particular organic solvent and organic solvents against a particular transition metal complex based on their solubility information without the knowledge of heat of fusion and melting temperature. The energy density of a non-aqueous redox flow cell directly depends on the solubility of the redox active species in the non-aqueous medium. Here, we have used the “COSMOSAC-LANL” activity coefficient model which is based on first-principles COSMO calculations where the microscopic information is passed to the macroscopic world via a dielectric continuum solvation model, followed by a post-statistical thermodynamic treatment of the self-consistent properties of the solute particle to calculate the solubility. To model the activity coefficient at infinite dilution for the binary mixtures, a 3-suffix Margules (3sM) function is introduced for the quantitative estimation of the asymmetric interactions and, for the combinatorial term, the Staverman–Guggenheim (SG) form is used. The new activity coefficient model is separately called the “LANL” activity coefficient model. The metal complex and the organic solvent have been treated as a simple binary mixture. The present model has been applied to a set of 14 different organic solvents and 16 different transition metal complexes. Using the new LANL activity coefficient model in combination with the ADF-COSMOSAC-2013 model, we have shown how one can improve the solubility of a transition metal complex in an organic solvent. We applied our model to screen 84 binary mixtures to predict the compatible pair of redox active species and organic solvent to increase the energy density. The solvation mechanism of the transition metal complexes in the organic solvents was obtained using the new model. The results have been compared with the experimental and theoretical results where they are available.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2020

Overview of Coupon Testing of an IM7/8552 Composite Required to Characterize High-Energy Impact Dynamic Material Models

As part of NASA’s Advanced Composites Project (ACP), a significant research effort was established to develop and mature analysis methods for composite materials particularly applicable to high-energy dynamic impact applications. An overall goal was to develop and advance analysis methods that can be characterized using fundamental coupon level tests. Based on this fundamental characterization, simulations at the higher levels of a building block approach can be purely predictive. The tests described in this report were performed on a unidirectional carbon fiber polymer matrix composite, IM7/8552 tape, as this material system is representative of a modern aerospace grade carbon fiber tape system. These tests were chosen to provide fundamental material characterization data for three representative progressive damage and failure analysis material models available within the LS-DYNA commercial transient dynamic finite element code for use in the simulation of the dynamic and impact response of composite materials. Two of the material models, MAT162 and MAT261, are well established material models within LS-DYNA. The third material model, MAT213, is under active development. Testing consisted primarily of ASTM-type standard tests, and the tests that were performed were consistent with the needs of all three models. Additionally, coupon level tests were performed that can be used to characterize a delamination model (e.g., cohesive zone or tie-break contact). While, the tests described in this report provide fundamental material characterization data for all three of the material models mentioned above, the data is applicable to additional material models not discussed.

Justusson, Brian P.↗
DOE OSTI2022

Explicit modeling of pebble temperature in the porous-media model for pebble-bed reactors

In this study, we developed a multiscale model to include an explicit pebble-temperature model nested in the porous-media model for pebble-bed reactor applications. The multiscale solid-phase energy balance model, including the pebble surface energy balance equation and an explicit modeling of pebble temperature, can predict the macroscopic (pebble bed) and microscopic (pebble) temperature distributions under both steady-state and transient conditions. The proposed multiscale model is solved in a fully coupled manner using the Newton- Krylov method, and therefore iterations between the macroscopic (pebble-bed-scale) and microscopic (pebble- scale) model are avoided. Extensive code verifications, validation, and demonstrations have been performed for this newly developed model. By explicitly modeling pebble temperatures, this new model addresses a major deficiency of the basic porous-media model, which assumes homogeneous solid-phase temperature and is not appropriate for pebble-bed reactor design and safety analyses.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

$T\overline{T}$-deformed free energy of the Airy model

Sharpening the correspondence of Jackiw-Teitelboim (JT) gravity and its dual matrix model description at a finite radial cutoff λ through the $T\overline{T}$ deformation is of interest. To proceed, we simplify the problem by considering the Airy model and deform Airy correlators in the same way as in $T\overline{T}$ -deformed JT gravity. We use those correlators to compute the annealed and quenched free energies for both λ > 0 and λ < 0 from an integral representation of the replica trick. At the leading order in λ and low temperatures, we confirm that the genus-zero quenched free energy monotonically decreases as a function of temperature when perturbation theory is valid. We then study the all-genus quenched free energy at low temperatures, where we discover and discuss subtleties due to non-perturbative effects in the Airy model, as well as the contributions from the non-perturbative branch under the $T\overline{T}$ deformation.

2D gravity↗
DOE OSTI2020

Eco Look-Ahead Control of Battery Electric Vehicles and Roadway Grade Effects

Roadway grade is one of the major variables that affects a vehicle’s energy consumption. This study demonstrates the potential benefits of an eco look-ahead control for battery electric vehicles (BEVs). The proposed eco look-ahead controller was developed for the lead vehicle of a platoon of BEVs. The eco look-ahead control predicts the optimum speed and acceleration levels within a preset speed window to minimize energy consumption considering the instantaneous energy used and the regenerated energy. The developed BEV eco look-ahead control system integrates a BEV energy consumption model and a powertrain model to save fuel while maintaining vehicle speed within a user-specified window. In addition, the study demonstrates the effects of roadway grade on BEV energy consumption. The results show that the energy consumption of BEVs are significantly reduced on downhill roads compared with internal combustion engine vehicles owing to regenerative braking. Specifically, testing showed that BEVs could even produce extra energy on downhill roads. The study also tested the eco look-ahead control on an 18-km section of I-81 and found that the system produced savings of 8.51% and 26.88% in the uphill and downhill directions, respectively. This study demonstrated that regenerative energy in BEVs is a critical factor in energy efficiency and the developed eco look-ahead control significantly improved the energy efficiency for BEVs.

Engineering↗
DOE OSTI2020

Metabolomics and the pig model reveal aberrant cardiac energy metabolism in metabolic syndrome

Abstract Although metabolic syndrome (MS) is a significant risk of cardiovascular disease (CVD), the cardiac response (MR) to MS remains unclear due to traditional MS models’ narrow scope around a limited number of cell-cycle regulation biomarkers and drawbacks of limited human tissue samples. To date, we developed the most comprehensive platform studying MR to MS in a pig model tightly related to human MS criteria. By incorporating comparative metabolomic, transcriptomic, functional analyses, and unsupervised machine learning (UML), we can discover unknown metabolic pathways connections and links on numerous biomarkers across the MS-associated issues in the heart. For the first time, we show severely diminished availability of glycolytic and citric acid cycle (CAC) pathways metabolites, altered expression, GlcNAcylation, and activity of involved enzymes. A notable exception, however, is the excessive succinate accumulation despite reduced succinate dehydrogenase complex iron-sulfur subunit b (SDHB) expression and decreased content of precursor metabolites. Finally, the expression of metabolites and enzymes from the GABA-glutamate, GABA-putrescine, and the glyoxylate pathways significantly increase, suggesting an alternative cardiac means to replenish succinate and malate in MS. Our platform discovers potential therapeutic targets for MS-associated CVD within pathways that were previously unknown to corelate with the disease.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Spectral Energy Distributions for 258 Local Volume Galaxies

We present model spectral energy distribution (SED) fits to ultraviolet/optical/infrared observations for the 258 nearby galaxies in the Local Volume Legacy survey, a sample dominated by lower-luminosity dwarf irregular systems. The data for each galaxy include up to 26 spatially-integrated broadband and narrowband fluxes from the Galaxy Evolution Explorer, Spitzer Space Telescope, and Infrared Astronomical Satellite space-based platforms, and from the Sloan Digital Sky Survey, Two Micron All Sky Survey, and other ground-based efforts. The CIGALE SED fitting package is employed using a delayed star-formation history with an optional late burst or quenching episode to constrain 11 different free parameters that characterize the properties of each galaxy's stellar and dust emission, with the overriding constraint that the ultraviolet/optical emission absorbed by interstellar dust grains is emitted in equal energy portions at infrared wavelengths. The main results are: (i) 94% of the SED fits yield reduced χ 2 values less than 3; (ii) the modeled stellar masses agree with those derived from 3.6 μm-based measures with a scatter of 0.07 dex; (iii) for a typical galaxy in the sample the SED-derived star-formation rate averaged over the past 100 Myr is about 88% of the value derived from standard hybrid indicators on similar timescales; and (iv) there is a statistically significant inverse relation between the stellar mass fraction appearing in the late burst and the total stellar mass. These results build upon prior SED modeling efforts in the local volume and lay the groundwork for future studies of more distant low-metallicity galaxies with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1991

Multi-dimensional modeling of a thermal energy storage canister

The Solar Dynamic Power Module being developed for Space Station Freedom uses a eutectic mixture of LiF-CaF2 phase change material (PCM) contained in toroidal canisters for thermal energy storage. Presented are the results from heat transfer analyses of a PCM containment canister. One and two dimensional finite difference computer models are developed to analyze heat transfer in the canister walls, PCM, void, and heat engine working fluid coolant. The modes of heat transfer considered include conduction in canister walls and solid PCM, conduction and pseudo-free convection in liquid PCM, conduction and radiation across PCM vapor filled void regions, and forced convection in the heat engine working fluid. Void shape, location, growth or shrinkage (due to density difference between the solid and liquid PCM phases) are prescribed based on engineering judgment. The PCM phase change process is analyzed using the enthalpy method. The discussion of the results focuses on how canister thermal performance is affected by free convection in the liquid PCM and void heat transfer. Characterizing these effects is important for interpreting the relationship between ground-based canister performance (in 1-g) and expected on-orbit performance (in micro-g). Void regions accentuate canister hot spots and temperature gradients due to their large thermal resistance. Free convection reduces the extent of PCM superheating and lowers canister temperatures during a portion of the PCM thermal charge period. Surprisingly small differences in canister thermal performance result from operation on the ground and operation on-orbit. This lack of a strong gravity dependency is attributed to the large contribution of container walls in overall canister energy redistribution by conduction.

Kerslake, Thomas W.↗
DOE OSTI2020

ExaWind: A multifidelity modeling and simulation environment for wind energy

We introduce the open-source ExaWind modeling and simulation environment for wind energy. The primary physics codes of ExaWind are Nalu-Wind and OpenFAST. Nalu-Wind is a wind-focused computational fluid dynamics (CFD) code that is coupled to the whole-turbine simulation code OpenFAST. The ExaWind environment was created under U.S. Department of Energy funding to achieve the highest-fidelity simulations of wind turbines and wind farms to date, with the goal of enabling disruptive changes to turbine and plant design and operation. Innovation will be gleaned through better understanding of the complex flow dynamics in wind farms, including wake evolution and the impact of wakes on downstream turbines and turbulent flow from complex terrain. High-fidelity predictive simulations employ hybrid turbulence models, geometry/boundary-layer-resolving CFD meshes, atmospheric turbulence, nonlinear structural dynamics, and fluid-structure interaction. While there is an emphasis on very high-fidelity simulations (e.g., blade resolved with full fluid-structure coupling), the ExaWind environment supports lower-fidelity modeling capabilities including actuator-line and -disk methods. Important in the development of ExaWind codes is that the codes scale well on today's largest petascale supercomputers and on the next-generation platforms that will enable exascale computing.

17 WIND ENERGY↗
NASA NTRS2015

Updating the Jovian Proton Radiation Environment - 2015

Since publication in 1983 by N. Divine and H. Garrett, the Jet Propulsion Laboratory's plasma and radiation models have been the design standard for NASA's missions to Jupiter. These models consist of representations of the cold plasma and electrons, the warm and auroral electrons and protons, and the radiation environment (electron, proton, and heavy ions). To date, however, the high-energy proton model has been limited to an L-shell of 12. With the requirement to compute the effects of the high energy protons and other heavy ions on the proposed Europa mission, the extension of the high energy proton model from approximately 12 L-shell to approximately 50 L-shell has become necessary. In particular, a model of the proton environment over that range is required to estimate radiation effects on the solar arrays for the mission. This study describes both the steps taken to extend the original Divine proton model out to an approximately 50 L-shell and the resulting model developed to accomplish that goal. In addition to hydrogen, the oxygen, sulfur, and helium heavy ion environments have also been added between approximately 6 L-shell and approximately 50 L-shell. Finally, selected examples of the model's predictions are presented to illustrate the uses of the tool.

Garrett, Henry↗
DOE OSTI2025

Energy-enhanced expansion of the standard model effective field theory

We formalize energy-scaling arguments in the standard model effective field theory (SMEFT) to estimate the effects of operators up to dimension ten. Our approach relies on weakly coupled UV completions with no presumed large hierarchies between the Wilson coefficients. We introduce a classification based on the number of external legs and an energy-counting parameter. We establish a dual expansion in 𝑣/Λ and 𝐸/Λ. Extending to four-, five-, and six-particle vertices, our framework highlights energy-enhanced operators that dominate high-energy processes at the High Luminosity-Large Hadron Collider. This organization streamlines experimental analyses to only include operators with energetic impact in their analyses and enhances the discoverability of new physics within the SMEFT framework.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Ground-state-based model reduction with unitary circuits

Here, we present a method to numerically obtain low-energy effective models based on a unitary transformation of the ground state. The algorithm finds a unitary circuit that transforms the ground state of the original model to a projected wavefunction with only the low-energy degrees of freedom. The effective model can then be derived using the unitary transformation encoded in the circuit. We test our method on the one-dimensional and two-dimensional square-lattice Hubbard model at half-filling, and obtain more accurate effective spin models than the standard perturbative approach.

Hubbard model↗
DOE OSTI2020

The 501vc®Fund - A New Model for Investing in Energy Innovation. Final report

Clean Energy Trust (CET) set out to identify approaches to attract new investors to early-stage cleantech businesses. Over the course of the project, significant research and validation was conducted on the feasibility of different pathways by which to secure additional financial support for early-stage clean energy startups. CET explored both a hybrid fund approach and a stand-alone, affiliated fund approach. Over the course of this work, CET developed quantitative models for optimum fund size and specifications, conducted extensive market research, evaluated fund implementation best practices, developed a strong understanding of the legal requirements for fund design, and identified likely candidates who could replicate this approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Climate and air pollution implications of potential energy infrastructure and policy measures in India

India is a rapidly developing economy with interrelated air quality, sustainable development, and climate change mitigation goals. There are unique challenges to achieving each of these goals as well as potential tradeoffs among them. This study examines the implications of possible future energy, climate, and air pollution control policies and measures in India through 2050. We take a scenario approach using the GCAM global energy-climate-land model combined with the Hector simple climate model and the TM5-FASST air quality source-receptor model to examine energy, climate and air quality outcomes. Reducing use of traditional biomass in buildings can reduce primary carbonaceous particulate emissions well below 2015 levels. However, policies that are more ambitious than current plans would likely be required to reduce SO 2 and NO x emissions well below 2015 levels. Among single policy cases considered, pricing of greenhouse gas (GHG) emissions and expansion of natural gas infrastructure have the largest impacts on overall energy system changes relative to the reference scenario. Ambitious air pollution control and GHG policies lead to the largest reductions in air pollution concentrations and radiative forcing, respectively. However, ambitious air pollution control and GHG policies differ in the extent to which they support or impede other policy objectives. Forcing increases due to reduced aerosols from ambitious air pollution policies can be mitigated, at least in part, by applying air pollution control and GHG policies together.

India↗
DOE OSTI2021

The effect of building retrofit measures on CO2 emission reduction – A case study with U.S. Medium office buildings

Building retrofit has great potential to reduce CO2 emissions since buildings are responsible for 36% of emissions in the United States. Several existing studies have examined the effect of building retrofit measures on CO2 emission reduction. However, these studies oversimplified emission factors of electricity by adopting constant annual emission factors. This study uses hourly emission factors of electricity to analyze the effect of building retrofit measures on emission reduction using U.S. medium office buildings as an example. We analyzed CO2 emission reduction effects of eight building retrofit measures that related to envelop and mechanical system in five locations: Tampa, San Diego, Denver, Great Falls, and International Falls. The main findings are: (1) estimating CO2 emission reduction with constant emission factors overestimates the emission reduction for most measures in San Diego, while it underestimates the emission reduction for most measures in Denver and International Falls; (2) The same retrofit measure may have different effects in CO2 emission reduction depending on the climates. For instance, improving lighting efficiency and improving equipment efficiency have less impacts in emission reduction in cold climates than hot climates; and (3) The most energy efficient measure may not be the most emission efficient measure. For example, in Great Falls, the most energy efficient measure is improving equipment efficiency, but the most emission efficient measure is improving heating efficiency.

Lou, Yingli↗
DOE OSTI2025

An update to the Sandia method for creating Typical Meteorological Years from a limited pool of calendar years

Typical Meteorological Years (TMYs) are essential for the efficient evaluation of energy system performance. Ideally, 30 years of weather data are required to generate TMYs, but significantly fewer years are typically available due to practical limitations. To address this issue, an update to the Sandia method was developed, referred to as the Argonne method, to create TMYs from a limited number of years. Furthermore, this method enhances candidate diversity by systematically shifting original candidate months forward or backward by specific days, creating an expanded pool of candidates. The effectiveness of the Argonne method was validated through statistical testing, comparison of monthly average weather parameters, and numerical simulations. The results demonstrate a high probability of identifying at least one shifted month whose cumulative distribution functions of weather parameters closely align with long-term distributions. In 67 % of all comparisons, the monthly average weather parameters in TMYs generated using the Argonne method exhibit better agreement with long-term averages than TMY3. Moreover, in 74 % of the 318 building simulation cases, the Argonne method outperforms TMY3 in estimating long-term average building heating and cooling demands. Therefore, the Argonne method effectively diversifies the candidate pool and produces typical years that provide more accurate estimations of long-term averages compared to TMY3 when only a limited pool of calendar years (10 years or fewer) is available.

Building energy modeling↗
DOE OSTI2023

A new efficient grain growth model using a random Gaussian-sampled mode filter

This paper presents the use of a Gaussian neighborhood mode filter for predicting grain growth in a manner similar to the solutions obtained by a Monte Carlo Potts model. This flexible grain growth model can quickly utilize modern, computationally optimized data science strategies on graphics processing units to simulate grain growth up to 100 times faster than the state-of-the-art, publicly available Monte Carlo Potts model. We show that, given the correct neighborhood, the mode filter can replicate normal grain growth in two or three dimensions. In addition, the paper briefly demonstrates the ability to model limited anisotropic in grain boundary energy and mobility. Anisotropic grain boundary energy is modeled by defining a weighted mode filter operation. Anisotropic grain boundary mobility is modeled by scaling and orienting the Gaussian neighborhood in a particular direction.

Anisotropy↗