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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Simulations of heat fluxes in an ELMy H-mode discharge on HL-2A

In order to study the distribution and evolution of the transient heat flux on HL-2A during edge-localized-mode (ELM) bursts, the BOUT++ electromagnetic six-field two-fluid model is used to simulate the pedestal collapse under the lower single-null divertor geometry. The equilibrium profiles of HL-2A ELMy H-mode discharge No. 24 953 are adopted as the initial condition in the original case. In this instance, linear analysis shows that the resistive ballooning mode (RBM) and drift-Alfven wave are unstable to this equilibrium, and RBM is the dominant instability. The evolutions of the radial heat fluxes at the outer mid-plane and heat fluxes to the inner and outer targets during the ELM event are presented. Six more equilibria are constructed based on the original case to find out the influence of the pedestal profiles on the peak electron heat flux. The results indicate that the heat flux increases with temperature and/or density, and the theoretical analysis and simulation results consistently show that the heat flux q ∥e is proportional to n e0,SEP $T^{\frac32}_{e0,SEP}$.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

The importance of sub-meter-scale snow roughness on conductive heat flux of Arctic sea ice

Abstract The conductive heat flux through the snow and ice is a critical component of the mass and energy budgets in the Arctic sea ice system. We use high horizontal resolution (3–15 cm) measurements of snow topography to explore the impacts of sub-meter-scale snow surface roughness on heat flux as simulated by the Finite Element method. Simulating horizontal heat flux in a variable snow cover modestly increases the total simulated heat flux. With horizontal heat flux, as opposed to simple 1D-vertical heat flux modeling, the simulated heat flux is 10% greater than that for uniform snow with the same mean snow thickness for a 31.5 × 21 m region of sea ice (the largest region we studied). Vertical-only (1D) heat flux simulates just a 6% increase for the same region. However, this is highly dependent on observation resolution. Had we measured the snow cover at 1 m horizontal spacing or greater, simulating horizontal heat flux would not have changed the net heat flux from that simulated with vertical-only heat flux. These findings suggest that measuring and modeling snow roughness at sub-meter horizontal scales may be necessary to accurately represent horizontal heat flux on level Arctic sea ice.

Geology↗
DOE OSTI2022

Model-based Co-Simulation of Heat Pump Water Heater with Phase Change Materials Thermal Energy Storage

The study analysis the behavior of a new developed heat pump water heater technology which integrates a phase change materials storage with a standard heat pump water heater to maximize the performance parameters of the Unified Energy Factor (UEF) and First Hour Rating (FHR). A model-based control development co-simulation platform is developed to include equipment models, such as heat pump, standard water tank, phase change materials storage tank, and integrate them with control model to support controls design, analysis, verification, and validation. Simulation results are compared with lab test results to validate the accuracy of developed co-simulation platform

Sun, Jian↗
DOE OSTI2022

Mechanism of chlorine-induced stress corrosion cracking of two 304 SS heats in simulated marine environment through in situ X-ray tomography and diffraction: Role of deformation induced martensite and crack branching

In this work, In-situ synchrotron x-ray tomography and diffraction experiments were conducted on two heats of 304SS undergoing chlorine-induced stress-corrosion-cracking (CISCC) in a simulated marine environment. The role of deformation induced martensite on CISCC was investigated through diffraction analysis where no significant amount of martensite was found to form during CISCC, indicating that it may not play a significant role in affecting the process. Tomography combined with stress-intensity analysis revealed the influence of stress-intensity on branching types with single crack growth, micro-branching, and macro-branching. Post experimental electron microscopy characterization revealed the presence of FeCl 2 , CrCl 2 , and NiCl 2 ·6H 2 O compounds at the crack, which infers a dissolution mechanism during the experiment. A dissolution mechanism highlighting the synergy between stress and corrosion was proposed to explain chlorine-induced stress-corrosion-cracking and crack branching.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Outgassing behavior and heat treatment optimization of JSC-1A lunar regolith simulant

As NASA strives towards a long duration presence on the Moon, it has become increasingly important to learn how to better utilize resources from the lunar surface for everything from habitats, vehicle infrastructure, and chemical extraction. To that end, a variety of lunar simulants have been sourced from terrestrially available volcanic minerals and glass as Apollo regolith is unavailable for experimentation needing large masses. However, while mineralogy and chemical composition can approach that of lunar material in these simulants, there are still distinct non-lunar phases such as hydrates, carbonates, sulfates, and clays that can cause simulants to behave distinctly non-lunar in a variety of processing conditions that maybe applied in-situ to lunar material. Notably, severe glassy bubbling has been documented in a variety of vacuum sintering experiments on JSC-1A lunar mare simulant heated via microwaves. The origins of this outgassing have not been well understood but are normally attributed to the decomposition of non-lunar contaminates intrinsic to virtually all terrestrially sourced simulants. As such, a series of controlled environmental tests were performed to ascertain the origins of the high temperature outgassing and to develop heat treatments that can drive JSC-1A closer to lunar composition and behavior. It was found that in JSC-1A at elevated temperatures distinct gas evolutions of water, carbon dioxide, and sulfur dioxide occur in both inert gas and vacuum. Additionally, the presence of hydrogen during heat treatments was shown to dramatically change gas evolutions, leading to distinctly more lunar-like composition and behavior from JSC-1A simulant.

58 GEOSCIENCES↗
DOE OSTI2020

Simulating transient heat transfer in graphene at finite Knudsen number via the Boltzmann transport equation and molecular dynamics

The phonon Boltzmann transport equation (BTE) with the relaxation time approximation (RTA) scattering model is used to calculate transient temperature profiles in graphene, and the results are compared to analogous molecular dynamics (MD) simulations. For the BTE calculations, the phonon dispersion relation and frequency-dependent scattering rates are obtained from a combination of MD data and semi-empirical power-law expressions for the normal and Umklapp phonon lifetimes. The dimensions and initial temperature conditions of graphene are varied to study the size and temperature dependence of thermal transport physics at the mesoscopic scale. Good quantitative agreement to within 5% is found between the BTE and MD results, over a wide range of temperatures and lengthscales of the temperature variation in the graphene sheet. Small differences are attributed to the inaccuracy of the RTA as applied to graphene, and to neglecting four-phonon scattering in the BTE simulations. The present results may further understanding in applications such as the transient heating of nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Sensitivity of Fine‐Resolution Urban Heat Island Simulations to Soil Moisture Parameterization

ABSTRACT Urban areas experience the impact of natural disasters, such as heatwaves and flash floods, disparately in different neighbourhoods across a city. The demand for precise urban hydrometeorological and hydroclimatological modelling to examine this disparity, and the interacting challenges posed by climate change and urbanisation, has thus surged. The Weather Research and Forecasting (WRF) model has served such operational and research purposes for decades. Recent advancements in WRF, including enhanced numerical schemes and sophisticated urban atmospheric‐hydrological parameterizations, have empowered the simulation of urban geophysical processes at high resolution (~1 km), but even this resolution misses significant urban microclimate variability. This study applies the large‐eddy simulations (LES) mode within WRF, coupled with single‐layer urban canopy models (SLUCM), to enable even finer‐scale modelling (150 m) of the Urban Heat Island (UHI) effect in the Baltimore metropolitan area. We run nine scenarios to evaluate various methods of initializing soil moisture and various spinup lead times, and to assess the impact of WRF's Mosaic approach in depicting subgrid‐scale processes. We evaluate the scenarios by comparing the WRF simulated land surface temperature (LST) against Landsat LST and the WRF simulated hourly 2‐m air temperatures (AT) with observations from eight weather stations across the domain. Results underscore the paramount influence of the lead spinup time on the spatiotemporal distribution of simulated soil moisture, consequently shaping WRF's efficacy in predicting the UHI. Furthermore, interpolating soil moisture‐related parameters from the parent for child domain initialization yields a notable reduction in mean and root‐mean‐squared errors. This improvement was particularly evident in simulations with the longest spinup time, affirming the importance of carefully designing the initialization of soil moisture for improved urban temperature predictions.

Talebpour, Mahdad↗
DOE OSTI2022

Development and testing of a solar flux heating freeze recovery system for molten salt parabolic troughs

A major obstacle preventing commercialization of molten salt parabolic trough plants is freeze protection and recovery of the solar field. One of the most common nitrate salt compositions under consideration allows for solar field outlet temperatures up to 565°C and begins solidifying above 240°C. Using molten salt directly in the solar field can significantly reduce thermal energy storage costs and the higher temperature compared to oil heat transfer fluids can power a more efficient power cycle, but the very high freezing point is cause for concern. This work builds on a previous modeling effort investigating different methods for melting Solar Salt frozen in the solar field, which suggested the viability of a novel solar heating method to lower costs of the freeze protection system. In this work higher fidelity models are developed to better investigate the melting process with a more detailed 3D geometry which includes the insulated bellows. The thermal-fluid model of the melting process is updated to include temperature dependent density and data for solid phase properties. In addition, a finite element model is developed to resolve thermal stresses at the point with highest thermal gradients. Results with the new model confirm the viability of using controllable solar flux heating to thaw salt frozen in the solar field without damaging the receiver; however, the presence of non-illuminated sections significantly slows down the melting process. Solar heating simulations with pauses off-sun of 120 and 60 s require 18.5 and 11.9 h to melt salt from a night-time temperature of 10°C with 1000 W m2 DNI, which results in maximum thermal stresses of 48.2 and 53.5 MPa, respectively. Adding 150 W m−1 to the solar heating simulation with a 60 s pause off-sun decreases both the melt time and thermal stresses due to the more uniform heating, suggesting a combined heating method may be the best option.

14 SOLAR ENERGY↗
DOE OSTI2023

Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction

Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking in the quantum Landauer-type transport model, such as many-body full force-field interactions, anharmonicity effects and nonlinear responses for large temperature biases. However, the classical MD reaches its limit in the environments where the quantum effects are significant (e.g. with low-temperatures substrates, presence of extremely high frequency molecular modes). Here, we present an atomistic simulation methodology for molecular heat conduction that incorporates the quantum Bose–Einstein statistics into an “effective temperature” in the form of a modified Langevin equation. We show that the results from such a quasi-classical effective temperature MD method deviates drastically when the baths temperature approaches zero from classical MD simulations and the results converge to the classical ones when the bath approaches the high-temperature limit, which makes the method suitable for full temperature range. In addition, we show that our quasi-classical thermal transport method can be used to model the conducting substrate layout and molecular composition (e.g. anharmonicities, high-frequency modes). Anharmonic models are explicitly simulated via the Morse potential and compared to pure harmonic interactions to show the effects of anharmonicities under quantum colored bath setups. Finally, the chain length dependence of heat conduction is examined for one-dimensional polymer chains placed in between quantum augmented baths.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Simulation of divertor heat flux width on EAST by BOUT++ transport code

The BOUT++ edge plasma transport code is applied to study the effects of neutral recycling, drifts and heating scheme on edge plasma profiles and the divertor heat flux width of two discharges of the experimental advanced superconducting tokamak (EAST) steady-state H-mode plasmas heated by low hybrid wave (LHW) and neutral beam (NB), respectively. Neutral recycling seems to have played an important role in the plasma density profile. The edge plasma density drops dramatically for the case w/o neutral recycling, while it can be sustained for the case w/ neutral recycling. Drifts are found to have significant influences on edge plasma profiles. Both the amplitude and width of the divertor heat flux are found to have increased a lot due to drifts. The simulated heat flux width w/ drifts for the two discharges shows reasonable agreement with the experiments. However, the width from the simulation and experiment for the LHW heated discharge is much larger than that of the NB heated discharge. Comparison with Goldston's drift-based model and more detailed analysis on the heat flux contributions from drifts versus turbulence show that drifts are the dominant factor in edge plasma transport for both LHW and NB heated discharges, while turbulence may have played a more important role in determining the heat flux width in LHW heated discharges than that in NB heated discharges. This may account for the larger heat flux width in the LHW heated discharge. The magnetic topology and the equilibrium change by the LHW power may also be a potential reason for the larger heat flux width in the LHW heated discharges, which still needs more evidence and studies to support it. Finally, additional SOLPS simulation w/o drifts for the two discharges show reasonable agreement with the counterpart from the BOUT++ simulation, suggesting the two are both suitable codes for EAST edge plasma simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Recent Experiences Calculating g-functions for Use in Simulation of Ground Heat Exchangers

Temperature response functions, known as g-functions, are a computationally efficient method for simulating ground heat exchangers (GHEs), used with ground-source heat pump (GSHP) systems, either as part of a whole-building energy simulation or as part of a dedicated ground heat exchanger design tool. In fact, at present, they are the only feasible way to simulate a ground-source heat pump system in a whole-building energy simulation. This paper summarizes recent developments in the field and recent experience using a new open-source g-function calculation tool known as pygfunction (Cimmino 2018a, 2018b). This experience includes accuracy, computation time, memory requirements and sensitivity to boundary conditions. With larger ground heat exchangers, e.g. in excess of 100 boreholes, the computational time and memory requirements can create challenges.

Spitler, Jeffery↗
DOE OSTI2022

Cold-Starting All-Solid-State Batteries from Room Temperature by Thermally Modulated Current Collector in Sub-Minute

All-solid-state batteries (ASSBs) show great potential as high-energy and high-power energy storage devices but their attainable energy/power density at room temperature is severely reduced because of the sluggish kinetics of lithium-ion transport. Here we first reported a thermally modulated current collector (TMCC), which can rapidly cold-start ASSBs from room temperature to operating temperatures (70–90 °C) in less than one minute, and simultaneously enhance the transient peak power density by 15-fold compared to one without heating. This TMCC is prepared by integrating a uniform, ultrathin (~200 nm) nickel layer as a thermal modulator within an ultralight polymer-based current collector. By isolating the thermal modulator from the ion/electron pathway of ASSBs, it can provide fast, stable heat control yet does not interfere with regular battery operation. Moreover, this ultrathin (13.2 μm) TMCC effectively shortens the heat transfer pathway, minimizes heat losses, and mitigates the formation of local hot spots. The simulated heating energy consumption can be as low as ~3.94% of total battery energy. This TMCC design with good tunability opens new frontiers towards smart energy storage devices in the future from the current collector perspective.

25 ENERGY STORAGE↗
DOE OSTI2021

Simulating fusion alpha heating in a stellarator reactor

Gyrocenter following simulations of fusion born alpha particles in a stellarator reactor are preformed using the BEAMS3D code. The Wendelstein 7-X high mirror configuration is scaled in geometry and magnetic field to reactor relevant parameters. A $2\,\times\,10^{20}m^{-3}$ density plasma with 20 keV core temperatures is assumed and fusion birth rates calculated for various fusion products assuming a 50/50 deuterium-tritium mixture. It is found that energetic He 4 ions comprise the vast majority of the energetic particle inventory. Slowing down simulations of the He4 population suggest plasma heating consistent with scaled energy confinement times for a stellarator reactor. Losses for this configuration appear large suggesting optimization beyond the scope of the W7-X device is key to a future fusion reactor. These first simulations are designed to demonstrate the capability of the BEAMS3D code to provide fusion alpha birth and heating profiles for stellarator reactor designs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Determination of the spent fuel decay heat with the VERA core simulator

VERA core simulator capabilities to predict spent fuel decay heat have been explored. The comparison with the Serpent2 and NEWT/TRITON sequence from the SCALE package, performed on the NPP Krško fuel test cases, has enabled independent verification of the successful implementation of the VERA depletion/decay calculation sequence applied on the extended nuclide set. Since the VERA is a 3-D core simulator, the focus in the rest of the paper was on the investigation of the 3-D effects and non-linearity of the soluble boron concentration averaging process, which are difficult to assess with most of available computational tools. A difference in the decay heat prediction between the 3-D and 2-D model approaches was analyzed. In addition, the impact of the Inconel grids on the decay heat was determined. Averaging the concentration of soluble boron over the fuel irradiation period has been found to be a viable approach, since it results in slight decay heat overprediction, which is considered conservative for most applications. Finally, demonstration on the Watts Bar Unit 1 cycle 1 depletion has shown formidable VERA capabilities to accurately predict spent fuel decay heat.

Kromar, Marjan↗
DOE OSTI2021

LIM1TR: Lithium-Ion Modeling with 1-D Thermal Runaway (V.1.0)

LIM1TR (Lithium-Ion Modeling with 1-D Thermal Runaway) is an open-source code that uses the finite volume method to simulate heat transfer and chemical kinetics on a quasi 1-D domain. The target application of this software is to simulate thermal runaway in systems of lithium-ion batteries. The source code for LIM1TR can be found at https://github.com/ajkur/lim1tr. This user guide details the steps required to create and run simulations with LIM1TR starting with setting up the Python environment, generating an input file, and running a simulation. Additional details are provided on the output of LIM1TR as well as extending the code with custom reaction models. This user guide concludes with simple example analyses of common battery thermal runaway scenarios. The corresponding input files and processing scripts can be found in the “Examples” folder in the on-line repository, with select input files included in the appendix of this document.

25 ENERGY STORAGE↗
DOE OSTI2020

Nonequilibrium steady state and heat transport in nonlinear open quantum systems: Stochastic influence action and functional perturbative analysis

In this paper, we show that a nonequilibrium steady state (NESS) exists at late times in open quantum systems with weak nonlinearity by following its nonequilibrium dynamics with a perturbative analysis. We consider an oscillator chain containing three-types of anharmonicity: cubic α- and quartic β-type Fermi–Pasta–Ulam–Tsingou (FPUT) nearest-oscillator interactions and the on-site (pinned) Klein–Gordon (KG) quartic self-interaction. Assuming weak nonlinearity, we introduce a stochastic influence action approach to the problem and obtain the energy flows in different junctures across the chain. The formal results obtained here can be used for quantum transport problems in weakly nonlinear quantum systems. For α-type anharmonicity, we observe that the first-order corrections do not play any role in the thermal transport in the NESS of the configuration we considered. For KG and β-types anharmonicity, we work out explicitly the case of two weakly nonlinearly coupled oscillators, with results scalable to any number of oscillators. We examine the late-time energy flows from one thermal bath to the other via the coupled oscillators, and show that both the zeroth- and the first-order contributions of the energy flows become constant in time at late times, signaling the existence of a late-time NESS to first order in nonlinearity. Our perturbative calculations provide a measure of the strength of nonlinearity for nonlinear open quantum systems, which may help control the mesoscopic heat transport distinct from or close to linear transport. Furthermore, our results also give a benchmark for the numerical challenge of simulating heat transport. Our setup and predictions can be implemented and verified by investigating heat flow in an array of Josephson junctions in the limit of large Josephson energy with the platform of circuit QED.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗