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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Unveiling the Thermal Stability of Sodium Ion Pouch Cells Using Accelerating Rate Calorimetry

The thermal stability of ~420 mAh Na 0.97 Ca 0.03 [Mn 0.39 Fe 0.31 Ni 0.22 Zn 0.08 ]O 2 (NCMFNZO)/hard carbon (HC) pouch cells was investigated using accelerating rate calorimetry (ARC) at elevated temperatures. 1 m NaPF 6 in propylene carbonate (PC):ethyl methyl carbonate (EMC) (1:1 by volume) was used as a control electrolyte. Adding 2 wt% fluoroethylene carbonate to the electrolyte improves the cell's thermal stability by decreasing the self-heating rate (SHR) across the whole testing temperature range. The selected states-of-charge (SoC), including 70%, 84%, and 100%, exhibit minimal impact on the exothermic behavior, except for a slight decrease in SHR after ~275 °C at 70% SoC. When compared to traditional lithium-ion batteries operating at 100% SoC, NCMFNZO/HC pouch cells demonstrate inferior thermal stability compared to LiFePO 4 (LFP)/graphite pouch cells, displaying a higher SHR from 220 to 300 °C. LiNi 0.8 Mn 0.1 Co 0.1 O 2 /graphite + SiO x pouch cells exhibit the worst safety performance, with an early onset temperature of ~100 °C and the highest SHR across the entire temperature range. These results offer a direct comparison of the impact of SoC and electrolyte compositions on the thermal stability of SIBs at elevated temperatures, highlighting that there is still room for improvement in SIBs safety performance compared to LFP/graphite chemistry.

42 ENGINEERING↗
DOE OSTI2021

Evaluating temperature dependent degradation mechanisms of silicon-graphite electrodes and the effect of fluoroethylene carbonate electrolyte additive

Understanding and overcoming the relatively high rate of degradation observed with silicon (Si)-based anodes in lithium (Li)-ion batteries (LiBs) is crucial for developing cells with increased energy density. The capacity fade of Si-graphite (Gr) electrodes in electrolytes with and without 10 wt% fluoroethylene carbonate (FEC) is explored during cycling at temperatures of 25, 45, and 70 °C, focusing on the complex degradation modes arising from loss of active material, loss of Li inventory, and cell resistance growth. We first show the common half-cell testing cannot be used at elevated temperatures as the performance of Li metal overshadows the behavior of Si-Gr electrode. Symmetric cell configuration successfully eliminates the effect of foreign materials, and reveals that while the presence of FEC provides better passivation of Si, it also results in greater parasitic reactions at 70 °C and faster capacity fade. The electrolyte without FEC, on the other hand, shows higher capacity retention at 70 °C. Finally, we propose a multi-step test protocol which can successfully deconvolute the information on loss of Li inventory and of active material. By combining half-cell and symmetric cell test methods, we demonstrate that loss of active material is reduced at higher temperatures and the dominant mechanisms of capacity loss for Si-Gr electrodes at elevated temperatures is loss of Li inventory.

25 ENERGY STORAGE↗
DOE OSTI2024

R&D to Ensure a Scientific Basis for Qualification Tests and Standards (Final Report)

Project return on investment in a photovoltaic (PV) system depends increasingly on maintaining high energy yields, and the system lifetime is a major factor in levelized cost of electricity (LCOE). Thus, the rate of PV deployment and the success of these assets depends upon reliable long-term power generation. The overarching objective of this program is to improve photovoltaic (PV) module reliability via development of tests and standards. Where reliability problems or risk are discovered, we can design tests to ensure that these liabilities don't affect future generations of products. Customers can use these tests to understand which products are susceptible to certain degradation mechanisms, and manufacturers can use the tests to design unwanted characteristics out of their products. The work under this program identifies PV reliability needs, performs characterization that provides scientific understanding of targeted degradation mechanisms, and translates those data into practical and predictive test protocols and standards. Major accomplishments include: A model for polarization-type potential induced degradation (PID-p) was developed and validated against experimental data. NREL is currently leading a new edition of IEC 62804-1 for PID detection. PID-p can cause large losses in current and voltage for some module designs on cloudy days. Finite element modeling (FEM) and experiment was used to determine when cells crack in a module. It was shown that cells in landscape orientation are much more likely to crack than those on portrait orientation. Shortly thereafter, the first products with portrait-oriented cells were introduced. Studies of how to test for light and elevated temperature degradation (LeTID) culminated with the publication of IEC TS 63342. Software to predict the progression of LeTID was developed, validated, and made publicly available. Field validated tests and international standards for durability of PV module coatings abrasion, backsheets, and encapsulants were developed. Examples are IEC 62788-1-1, IEC 62788-2 ED2, IEC TS 62788-7-2, IEC 62788-7-3 ED1, IEC 63209-2. NREL led the development a high-temperature testing technical specification, and published guidelines that enable installers to determine whether higher-temperature testing is needed, simply based on location and mounting configuration. In a number of our case studies, variations in the bills of materials or workmanship have been associated with variations in reliability. These observations emphasize the importance of quality assurance to reliability. A framework for criticality (i.e. Pareto) analysis was developed and published. The framework helps us and other researchers determine what problems should be addressed for reliability research to have the biggest industry impact. NREL continues to participate actively in international standards development and stakeholder engagement activities, including organizing an annual PV Reliability Workshop. These activities are important for ensuring we address issues that are relevant and timely, and that we convey our results to those who may benefit.

14 SOLAR ENERGY↗
DOE OSTI2024

Indirect additive manufacturing process for fabricating bonded soft magnets

A bonded soft magnet object comprising bonded soft magnetic particles of an iron-containing alloy having a soft magnet characteristic, wherein the bonded soft magnetic particles have a particle size of at least 200 nm and up to 100 microns. Also described herein is a method for producing the bonded soft magnet by indirect additive manufacturing (IAM), such as by: (i) producing a soft magnet preform by bonding soft magnetic particles with an organic binder, wherein the magnetic particles have an iron-containing alloy composition with a soft magnet characteristic, and wherein the particles of the soft magnet material have a particle size of at least 200 nm and up to 100 microns; (ii) subjecting the preform to an elevated temperature sufficient to remove the organic binder to produce a binder-free preform; and (iii) sintering the binder-free preform at a further elevated temperature to produce the bonded soft magnet.

Paranthaman, Mariappan Parans↗
DOE OSTI2022

Boosting the H 2 –D 2 Exchange Activity of Dilute Nanoporous Ti–Cu Catalysts through Oxidation–Reduction Cycle–Induced Restructuring

The use of nanoporous metals as catalysts has attracted significant interest in recent years. Their high-curvature, nanoscale ligaments provide not only high surface area but also a high density of undercoordinated step edge and kink sites. However, their long-term stability, especially at higher temperatures, is often limited by thermal coarsening and the associated loss of surface area. Herein, it is demonstrated that the nanoscale morphology of nanoporous Cu can be regenerated by applying oxidation/reduction cycles at 250 °C. Specifically, the morphological evolution and H 2 dissociation activity of hierarchical nanoporous Cu catalysts doped with Ti during structural rearrangement triggered by oxidative and reductive atmospheres at elevated temperatures are studied. In addition to coarsening of the structure at elevated temperatures, oxidation at 400 °C causes an expansion of the ligaments. Further, subsequent reduction at 400 °C leads to the formation of particles and a drop in the H 2 dissociation activity compared the fresh catalyst. However, performing the redox cycle at 250 °C reverses coarsening and boosts the H 2 dissociation activity for the hydrogen–deuterium (H 2 –D 2 ) reaction. Herein, the possibility to reverse coarsening is demonstrated, thereby mitigating the loss of activity frequently observed in nanoporous catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

High-throughput design of high-performance lightweight high-entropy alloys

Developing affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Measured Potential Profile in a Quantum Anomalous Hall System Suggests Bulk-Dominated Current Flow

Ideally, quantum anomalous Hall systems should display zero longitudinal resistance. Yet in experimental quantum anomalous Hall systems elevated temperature can make the longitudinal resistance finite, indicating dissipative flow of electrons. Here, we show that the measured potentials at multiple locations within a device at elevated temperature are well-described by solution of Laplace's equation, assuming spatially-uniform conductivity, suggesting non-equilibrium current flows through the two-dimensional bulk. Extrapolation suggests that at even lower temperatures current may still flow primarily through the bulk rather than, as had been assumed, through edge modes. In conclusion, an argument for bulk current flow previously applied to quantum Hall systems supports this picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Field‐Relevant Degradation Mechanisms in Metal Halide Perovskite Modules

Field testing, failure analysis, and understanding of degradation mechanisms are essential to advancing metal halide perovskite (MHP) photovoltaic (PV) technology toward commercialization. Here, we present performance data from up to 1 year of outdoor testing of MHP modules in Golden, Colorado. The module encapsulation architecture and encapsulant materials have a significant impact on module reliability, with modules containing a polyolefin elastomer (POE) in addition to a desiccated polyisobutylene (PIB) edge seal outlasting modules with only a PIB edge seal or PIB blanket. Nondestructive and destructive characterization of the field-tested modules points to module scribes and interfaces as areas of potential mechanical weakness and chemical migration, resulting in shunt pathways and increased series resistance. Finally, indoor accelerated stress testing with light and elevated temperatures is performed, demonstrating failure with similar scribe degradation signatures as compared to the field-tested modules. In conclusion, under both outdoor testing and light and elevated temperature conditions, electrochemical corrosion between the copper electrode and the mobile iodine ions appeared dominant, with a significant progression at the scribes that is speculated to result from an interplay between the initial laser damage and joule heating from enhanced ion diffusion under bias.

14 SOLAR ENERGY↗
DOE OSTI2024

High‐Temperature Mechanical Behavior of Single‐Crystal FeCrAl Alloy Under In Situ Micropillar Compression

FeCrAl cladding is one of the candidate materials for the near‐term accident‐tolerant fuel technologies under development. Research on high‐temperature mechanical behaviors of single‐crystal FeCrAl alloy is rather limited. Previous studies have reported the mechanical property of low‐index orientation in single‐crystal FeCrAl alloy at room temperature. However, the critical resolved shear stress to activate slip systems can be orientation and temperature dependent. Here, single‐crystal grains in a coarse‐grained FeCrAl alloy with different crystallographic orientations are selected to preferentially activate {110}<111> slip systems or {112}<111> slip systems. Micropillars are fabricated in the selected single‐crystal grains and tested at elevated temperatures in situ in a scanning electron microscope. The critical resolved shear stresses of {110}<111> slip systems and {112}<111> slip systems are determined at various temperatures. The critical resolved shear stress shows a temperature dependence and orientation independence. This study provides important insight for understanding the deformation mechanisms of FeCrAl alloys at elevated temperatures.

Sun, Tianyi↗
DOE OSTI2022

High-temperature analysis of optical coupling using AlGaAs/GaAs LEDs for high-density integrated power modules

A low-temperature co-fired ceramic (LTCC)-based optocoupler design is demonstrated as a possible solution for optical isolation in high-density integrated power modules. The design and fabrication of LTCC based package are discussed. Commercially available aluminum gallium arsenide/gallium arsenide (AlGaAs/GaAs) double heterostructure is used both as emitter and photodetector in the proposed optocoupler. A detailed study on the electroluminescence and spectral response of the AlGaAs/GaAs structure is conducted at elevated temperatures. The material figure of merit parameter, D*, is calculated in the temperature range 77–800 K. The fabricated optocoupler is tested at elevated temperatures, and the results are presented.

42 ENGINEERING↗
DOE OSTI2026

Development of a Framework and Methodology for an Advanced Reactor Materials Environmental Effects Design Guide

Advanced non-light-water reactor components may operate at elevated temperature while experiencing cyclic loading, significant neutron irradiation, and exposure to reactor coolant. ASME Boiler and Pressure Vessel Code, Section III, Division 5, provides design rules for elevated-temperature service but does not include specific procedures to account for environmental effects on material properties. This report develops an initial framework and methodology for an Environmental Effects Design Guide (EEDG) focused on neutron irradiation; coolant-environment effects are reserved for future work. The proposed approach treats irradiation as a property-based overlay on the existing Division 5 design process, with two routes: a sparse-data route applying two reduction factors — FCR on creep-rupture strength and FF on fatigue life — for the creep-fatigue evaluations that typically control the design of advanced high-temperature reactor components, and a fuller framework developing the property-to-rule chain across the four Division 5 checks (primary load, strain limits and ratcheting, creep-fatigue, and buckling), together with swelling and weldments as scope items. Both routes are scoped by an in-pile qualification that restricts the use of post-irradiation-examination-derived properties in regimes where an in-pile mechanism could control the design outcome. Illustrative outputs derived on a compiled annealed Type 316 database — FCR ≈ 0.78–0.86 and FF ≈ 0.4 — demonstrate the calculation method within that specific dataset. The framework is an initial, testable design-rule concept; it identifies a practical path for preliminary design evaluations under sparse data and the material data and testing needed to develop the framework further.

Barua, Bipul (ORCID:0000000247184113)↗
DOE OSTI2024

Effects of size, geometry, and testing temperature on additively manufactured Ti-6Al-4V titanium alloy

This article presents a comprehensive study concerning size and geometry effect on the ambient and high-temperature mechanical behavior of additively manufactured laser powder bed fusion Ti-6Al-4V alloy. Key mechanical property metrics are presented, including strain hardening rate, yield strength, and Young’s modulus as a function of thickness and testing temperature (ambient, 250 °C, and 450 °C). Here, the effect of specimen size on manufacturing-induced microstructural feature formation is demonstrated and discussed. A detailed analysis regarding Young’s modulus, yield strength, and strain hardening rate variation at elevated temperatures is also presented. Size effect and temperature-sensitive deformation mechanisms are linked to the underlying microstructural deformation mechanisms activated at respective temperatures. Counter-intuitively, this study determined that irrespective of the geometry, strain hardening rates increased as temperature increased. An in-depth microstructural examination is presented to explain the stated observation. The texture of Interrupted tensile test samples examined for ambient, 250 °C, and 450 °C post-yield was observed to be unchanged, indicating the strain hardening behavior was not texture dependent. Schmid factor analysis, coupled with experimental findings from previous work, was implemented to generate a hypothesis. This hypothesis suggests that the drop in critical resolved shear stress for basal and pyramidal slip systems, as temperature increases, paired with the high dislocation density of laser powder bed fusion Ti-6Al-4V, leads to dislocation entanglement and results in increased strain hardening at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Numerical modeling of plasma assisted deflagration to detonation transition in a microscale channel

Here, this work numerically studies the plasma assisted deflagration to detonation transition (DDT) of H 2 /O 2 mixtures in a microscale channel with detailed chemistry and transport. The results show that the DDT onset time is non-monotonically dependent on the discharge pulse number. The DDT is accelerated with small pulse numbers, whereas retarded with large ones. Two different DDT regimes, respectively at a small and large plasma discharge number, via acoustic choking of the burned gas and plasma-enhanced reactivity gradient without acoustic choking, are observed. Without plasma discharge, pronounced pressure and temperature gradients in front of the flame are generated by acoustic compression after the choking of the burned gas, triggering DDT via autoignition. With small plasma pulse numbers, the plasma-generated species enhance the ignition kinetics and lead to an increased reactivity in the boundary layer. After the choking of the burned gas, the plasma-enhanced reactivity advances the sequence of autoignition near the wall, strengthens ignition-shock wave coupling, and accelerates DDT. However, with a large discharge pulse number, a direct autoignition initiating DDT can occur without the acoustic choking of the burned gas due to the strongly accelerated reactivity and elevated temperature. In this case, DDT onset is retarded because the elevated temperature increases sonic velocity and the increased reactivity accelerates fuel oxidation in front of the flame, decelerating the formation of a leading shock and subsequent pressure buildup ahead of the flame. The present modeling reveals that no matter with or without plasma discharge, DDT is initiated by autoignition in thermal, pressure, and reactivity gradient fields via the Zel'dovich gradient mechanism. The acoustic choking of the burned gas may not be the necessary condition of DDT with strong plasma-enhanced reactivity gradient. This work provides an answer to the experimentally observed non-monotonic DDT onset time by plasma, which provides guidance to control DDT in advanced detonation engines and fire safety of hydrogen-fueled catalytic reactors in microchannels by non-equilibrium plasma discharge.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Increasing thermostability of the key photorespiratory enzyme glycerate 3‐kinase by structure‐based recombination

As global temperatures rise, improving crop yields will require enhancing the thermotolerance of crops. One approach for improving thermotolerance is using bioengineering to increase the thermostability of enzymes catalysing essential biological processes. Photorespiration is an essential recycling process in plants that is integral to photosynthesis and crop growth. The enzymes of photorespiration are targets for enhancing plant thermotolerance as this pathway limits carbon fixation at elevated temperatures. We explored the effects of temperature on the activity of the photorespiratory enzyme glycerate kinase (GLYK) from various organisms and the homologue from the thermophilic alga Cyanidioschyzon merolae was more thermotolerant than those from mesophilic plants, including Arabidopsis thaliana. To understand enzyme features underlying the thermotolerance of C. merolae GLYK (CmGLYK), we performed molecular dynamics simulations using AlphaFold-predicted structures, which revealed greater movement of loop regions of mesophilic plant GLYKs at higher temperatures compared to CmGLYK. Based on these simulations, hybrid proteins were produced and analysed. These hybrid enzymes contained loop regions from CmGLYK replacing the most mobile corresponding loops of AtGLYK. Two of these hybrid enzymes had enhanced thermostability, with melting temperatures increased by 6 °C. One hybrid with three grafted loops maintained higher activity at elevated temperatures. Whilst this hybrid enzyme exhibited enhanced thermostability and a similar Km for ATP compared to AtGLYK, its Km for glycerate increased threefold. This study demonstrates that molecular dynamics simulation-guided structure-based recombination offers a promising strategy for enhancing the thermostability of other plant enzymes with possible application to increasing the thermotolerance of plants under warming climates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Influence of silicon infiltration conditions on microstructure and mechanical properties in binder jet 3D printed SiC

Atmosphere, temperature, and hold time were varied for silicon infiltrated binder jet 3D printed SiC preforms. A two-step infiltration process optimized infiltration. The first step at 1450 °C under vacuum facilitated improved wetting. The second step at elevated temperature in argon advanced infiltration while suppressing vaporization. Variation of the second-step temperature (1550–1750 °C) and hold time revealed that 1550 °C for 1 h in argon following initial vacuum treatment yielded the highest silicon uptake ratio (∼96 %) with minimal residual porosity and strengths of 150–180 MPa. Flexural strength was either stable or improved with elevated temperatures up to 1000°C. In contrast, higher temperatures or extended hold times led to increased silicon vaporization and pores. The optimized process was applied to formulations with extra carbon to enhance SiC content and interconnectedness through reaction bonding, which corresponded to increased flexural strength. These findings provide guidance for silicon infiltration in additively manufactured SiC.

Yoon, Bola [ORNL] (ORCID:0000000260875373)↗
DOE OSTI2022

Interplay of structural fluctuations and charge carrier dynamics is key for high performance of hybrid lead halide perovskites

The ability of methylammonium lead triiodide (MAPbI 3 ) to achieve photoelectric conversion efficiency that is on par with crystalline silicon has led to a surge of interest in perovskite photovoltaics. However, an in-depth understanding of how the ubiquitous coupling between the fast rovibrational movements of the organic cations and the phonon vibrations of the inorganic framework affects the relaxation and recombination of hot carriers remains largely elusive. Access to such knowledge is critical to guide design and increase efficiency of new classes of perovskite solar cells. In this report, we report a time-domain ab initio investigation of temperature dependent excited state dynamics in MAPbI 3 , with particular emphasis on nuclear anharmonic effects. The observed strong anharmonicity is attributed to softness of the material and unusual dynamical coupling between the organic and inorganic components. At an elevated temperature, the hydrogen bonding between MA and iodines is weakened, enhancing rotation of MA cations, which become more dynamically disordered. As a result, thermal vibrations of the inorganic Pb–I sublattice are suppressed, and the lattice anharmonicity is decreased. Thermal fluctuations of the electronic energy levels are found to follow the trend of anharmonic motions of Pb and I atoms, with holes relaxing faster to the band edges than electrons, due to higher density of the hole states. While elevated temperature accelerates intraband carrier cooling, it slows nonradiative carrier recombination. The latter result is important for performance, since solar cells and other devices heat up during operation. The reported signatures of coupled structural dynamics of the organic cations and inorganic framework unravel the interplay between anomalous structural fluctuations and charge carrier dynamics, which is of particular importance for fundamental understanding of the structure–property relationships in hybrid metal halide perovskites.

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

Review of liquid desiccant air dehumidification systems coupled with heat pump: System configurations, component design, and performance

Vapor Compression Systems (VCS) are the most common air conditioning technology. VCS cool the air to its dew point temperature (overcooling) to remove water vapor in the air through condensation and then reheats the air back to the comfort temperature for direct use. The VCS process is inefficient due to overcooling and reheating. Liquid Desiccant Dehumidification (LDD) is a potentially energy-efficient air conditioning. LDD removes water vapor in the process air using liquid desiccant’s high-water affinity. It hybrids with sensible cooling to control temperature and humidity separately. The LD in the LDD becomes weak after dehumidification. The LDD needs additional heating to regenerate the weak Liquid Desiccant (LD) to a high concentration for dehumidification. Earlier versions of the LDD systems use highly concentrated liquid desiccant (large water removal capability) to dehumidify the air by only dealing with latent load. It leads to highly elevated temperatures above 60 °C of heat sources (combustion or electric resistance-based heating) for regeneration. The energy needed for the elevated temperature heat resource significantly reduces or demolishes the benefit of LDD systems. In the recent two decades, researchers have investigated a new configured LDD system that couples an LDD with a heat pump at both dehumidification and regeneration sides for better efficiency. The heat pump provides cooling (from the evaporator) for both dehumidification and sensible cooling and simultaneous heating from the condenser for regeneration. The highly integrated system (HP-LDD) with improved efficiency enables the LDD to operate at lower concentrations and temperatures in dehumidification and regeneration. This paper depicts the working principle behind HP-LDD and its heating and cooling requirements. It reviews the comparison between the HP-LDD systems and the conventional LDD systems regarding system configurations, component design, energy efficiency, and dehumidification performance characteristics. The main findings from the review include the preferred use of packed bed over membrane-based dehumidifiers, the use of internally cooled dehumidifiers enabled by the HP cooling capacity, the high dispersion of HP operation conditions, and the dependence of dehumidification performance on various dehumidifiers. Finally, an outlook for future research on HP-LDD strategies is presented based on the reviewed works and their limitations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗