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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Non‐Equilibrium Synthesis Methods to Create Metastable and High‐Entropy Nanomaterials

Stabilizing multiple elements within a single phase enables the creation of advanced materials with exceptional properties arising from their complex composition. However, under equilibrium conditions, the Hume–Rothery rules impose strict limitations on solid-state miscibility, restricting combinations of elements with mismatched crystal structures, atomic radii, valence states, or electronegativities. This severely narrows the accessible compositional space for creating new inorganic materials. In this review, we highlight how non-equilibrium synthesis methods, featuring ultrafast heating and quenching, can overcome these thermodynamic barriers, enabling integration of immiscible elements into metastable and high-entropy nanostructures. The resulting materials benefit from both kinetic trapping and stabilization by high configurational entropy, leading to enhanced phase stability. These materials can exhibit unique structural and functional properties that are needed for advancing catalysis, energy storage, thermoelectrics, and sensing. Furthermore, the ability of non-equilibrium methods to generate unconventional compositions and structures expands the material design space dramatically, offering rich datasets for AI-guided materials discovery. When combined with their inherent high-throughput and scalable characteristics, these approaches enable rapid, iterative optimization and accelerate the development and industrial production of next-generation inorganic materials.

high-entropy materials↗
DOE OSTI2022

Chemistry, Structure, and Function of Lone Pairs in Extended Solids

The lone pair has been a known feature of the electronic structure of molecules for over 100 years. Beginning with the pioneering work of Lewis and others that was later developed into useful guidelines for predicting molecular structure, lone pairs and their steric consequences are now taught at the very earliest stages of a chemistry education. In the crystalline solid state, lone pairs have perhaps had a less visible yet equally consequential role, with a significant impact on a range of properties and functionalities. Important properties associated with s 2 electron-derived lone pairs include their role in creating conditions favorable for ion transport, in the formation and correlation of local dipoles and the resulting polar behavior leading to ferroics and multiferroics, in increasing the refractive index of glass, in reducing the thermal conductivity of thermoelectric materials, and in breaking local symmetry permitting second-harmonic light generation.. In recent years, the role of the lone pair in developing the electronic structure of some topological quantum materials has also been recognized. While structural distortions due to lone pairs have traditionally been characterized through their crystallography, recent advances in scattering and spectroscopy have revealed the presence of local lone pair-driven distortions that do not correlate over long length scales. The role of these crystallographically “hidden” lone pairs, their detection, and their impact on properties have become a growing body of work in the literature. Hidden lone pairs are an effective argument for considering a role for lone pairs that goes beyond their being objects that occupy space in the coordination polyhedra of cations. This Account introduces the chemistry of lone pairs in extended crystalline solids, including a discussion of when they are stereochemically active, how they manifest in the structure, and how their chemistry can be tuned by the chemical environment around them. Eventually, all of these factors work in unison to help develop and tune properties of interest. Certain specific examples of structure–property relationships in materials that are driven by lone pair behavior are described here, including the potential impact of lone pairs on the optical and electronic properties of hybrid halide perovskite compounds that are relevant to their photovoltaic applications. Here, we highlight the role of lone pairs in the dielectric behavior of geometrically frustrated pyrochlores, the temperature-dependent optoelectronic behavior of halide perovskites, the polar phase transitions in lead-free ferroelectric perovskites, and the compositional insulator-to-metal transition in ruthenium pyrochlores. The theme underpinning this Account is that the lone pair can be considered to be a powerful design element for a broad range of material function.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Techno-Economic and Deployment Analysis of Fossil Fuel-Based Power Generation with Integrated Energy Storage

Most existing coal-fired power plants were designed for sustained operation at full load to maximize efficiency, reliability, and revenues. Depending on plant type and design, these plants can adjust output within a fixed range in response to plant or market conditions. The need for flexibility driven by increased penetration of variable and non-dispatchable power generation such as wind and solar is shifting traditional mission profile of thermoelectric power plants in three ways: more frequent shutdowns when market or grid conditions warrant, more aggressive load ramp rates (rate of output change), and lower minimum sustainable load, which provides a wider operating range and helps avoid costly plant shutdowns. The recent studies have shown that flexibility of a coal-fired power plant can be improved by the energy storage. The objective of this project was to analyze a set of energy storage options (technologies) and determine their impact on flexibility and economics of a representative coal-fired power plant. The effect of five Energy Storage Systems (ESSs) integrated with a coal power plant on plant flexibility and economics was investigated in this study. The results obtained in this project and presented in this report showed that ESS integrated with a thermal power plant improves plant flexibility and participation in the Energy and Ancillary Services markets and also improves plant financial performance.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1988

SP-100 flight qualification testing assessment

The SP-100 is a compact space power system driven by a nuclear reactor that provides 100 kWe to the user at 200 VDC. The thermal energy generated by the nuclear reactor is converted into electrical energy by passive thermoelectric devices. Various options for tailoring the MIL-STD-1540B guidelines to the SP-100 nuclear power system are discussed. This study aids in selecting the appropriate qualification test program based on the cost, schedule, and test effectiveness of the various options.

Jeanmougin, Nanette M.↗
NASA NTRS1989

Applying Thermal Gradients To Control Vibrations

Thermal actuators used to stabilize large structures. New damping concept calls for application of suitably timed and shaped thermal-gradient waveforms to generate expansions and contractions counteracting vibrations. Responding to processed signal from accelerometer, thermoelectric heat pumps apply thermal gradients producing expansions and contractions in upper and lower caps of cantilever beam. These expansions and contractions partly counteract vibrations sensed by accelerometer, thus contributing to damping.

Edberg, Donald L.↗
DOE OSTI2024

Energy Storage Improves Power Plant Flexibility and Economic Performance

Most existing coal-fired power plants were designed for sustained operation at full load to maximize efficiency, reliability, and revenue, as well as to operate air pollution control devices at design conditions. Depending on plant type and design, these plants can adjust output within a fixed range in response to plant operating or market conditions. The need for flexibility driven by increased penetration of variable and non-dispatchable power generation, such as wind and solar, is shifting the traditional mission profile of thermoelectric power plants in three ways: more frequent shutdowns when market or grid conditions warrant, more aggressive load ramp rates (rate of output change), and a lower minimum sustainable load, which provides a wider operating range and helps avoid costly plant shutdowns. Recent studies have shown that the flexibility of a coal-fired power plant can be improved by energy storage. The objective of this work was to analyze a set of energy storage options and determine their impact on the flexibility and economics of a representative coal-fired power plant. The effect of three energy storage systems integrated with a coal power plant on plant flexibility and economics was investigated. The results obtained in this project show that energy storage systems integrated with a thermal power plant improve plant flexibility and participation in the energy and ancillary services markets, which improves plant financial performance.

20 FOSSIL-FUELED POWER PLANTS↗
NASA NTRS1985

Thermally-Rechargeable Electrochemical Cell

Proposed liquid-sodium/sulfur electrochemical cell recharged by heat, rather than electric generator. Concept suitable for energy storage for utilites, mobile electronic equipment, and solar thermoelectric power systems. Sodium ions driven across membrane with aid of temperature differential.

Richter, R.↗
NASA NTRS1988

Mercury's thermal history and the generation of its magnetic field

Thermal history of Mercury's interior is examined using the model of Stevenson et al. (1983), extended to include the effects of tidal heating in Mercury's solid inner core. The implications of Mercury's thermal history for the source of the planet's magnetic field are discussed. It is shown that the major results of this model are similar to the results obtained with the Stevenson et al. model, except for the addition of inner-core tidal dissipation. It is concluded that the extended model properly characterizes Mercury's internal structure and thermal history, and that the criteria for dynamo generation are not properly satisfied. Alternative explanations, including the possibility of a weak thermoelectric dynamo, are examined.

Schubert, G.↗
DOE OSTI2020

Exchange-correlation functional challenges in modeling quaternary chalcogenides

The development of next-generation quaternary chalcogenides, such as Cu2ZnSnS4 (CZTS) and Cu2ZnGeS4 (CZGS), for solar energy and thermoelectric applications hinges upon both careful experimentation and accurate quantum mechanical modeling. To address the latter, many have turned to density functional theory (DFT), which offers several choices for the approximate treatment of electron exchange and correlation (XC). Popular XC functionals include the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) and the recently developed strongly constrained and appropriately normed (SCAN) meta-GGA. Extensions of DFT functionals, such as adding a Hubbard U correction and introducing a fraction of the Fock exchange (hybrid functionals), have been used widely to model systems containing 3d metal ions. However, no studies yet have compared comprehensively PBE(+U) and SCAN(+U) in the quality of their predictions of the bulk and defect thermodynamics of quaternary chalcogenides, which play a critical role in device fabrication and performance. Hence, here we calculate the (i) 0 K formation energies of bulk Ge compounds and (ii) neutral defect formation energies including charge-balanced (e.g., CuZn + ZnCu) and charge-imbalanced (e.g., CuSn) combinations of antisites and vacancies in CZTS and CZGS using the PBE, PBE +U, SCAN, SCAN +U, and the hybrid Heyd-Scuseria-Ernzerhof XC frameworks. We find that the formation energies of charge-imbalanced defects are more sensitive to the choice of the XC functional than those of charge-balanced defects, which can be explained by the differences in the extent of penalization of defect-generated delocalized electrons/holes by PBE, PBE +U, SCAN, and SCAN +U. Additionally, our results show that SCAN systematically underbinds Ge-containing compounds, thus highlighting the need for even further improvement of XC functionals. Based on our findings, we recommend the use of SCAN for modeling quaternary chalcogenides because its errors are systematic, and it has the firmest theoretical underpinning. Our work provides guidance for future modeling of quaternary chalcogenides.

14 SOLAR ENERGY↗
DOE OSTI2023

Enhanced Thermoelectric Properties of Heavy-fermion Compounds $\text{Yb}_x\text{Ce}_y\text{Sm}_z\text{Ir}_2\text{Zn}_{20}$ $(x+y+z=1)$

Herein, thermoelectric materials hold tremendous promise for advances in fundamental science and practical ap- plications, particularly for robust electricity generation in extreme and remote environments. Despite this, for most materials the energy conversion efficiency is limited by the proportionality between the electrical and thermal conductivities and small values of the Seebeck coefficient for metals. It was previously reported that the heavy-fermion compound $\text{YbIr}_2$ $\text{Zn}_{20}$ exhibits large Seebeck coefficient and thermoelectric figure of merit $ZT$ at 35 K. This behavior is primarily associated with strong hybridization between the $f$- and conduction electron states. Here, we seek to improve the thermoelectric properties through chemical substitution on the Yb site using Ce and Sm. By surveying different levels of substitution, we find that the thermoelectric properties vary strongly with the $f$-element ratio. This confirms that electronic hybridization dominates the thermoelectric properties and clarifies directions for optimizing these materials for applications. We also investigate the impact of the disorder on the thermal conductivity, where we find only weak variation with lanthanide content.

36 MATERIALS SCIENCE↗
DOE OSTI2021

An Environmental and Societal Analysis of the US Electrical Energy Industry Based on the Water–Energy Nexus

To meet rising energy demands, power plant operations will expand, influencing the interactions between the water–energy nexus and society. However, a major challenge is integration of social dimensions within electricity generation. To address this, we generate a baseline dataset using US public data (2014–2019) from the Energy Information Administration and US Bureau of Labor Statistics. We identify the rate of energy consumed, CO 2 , SO 2 and NO x emissions generated, and water used per MWh net electricity as well as employee wellbeing per unit MW capacity during electricity generation. Rates of energy consumption (MMBtu/MWh) decreased 4.9%, but water consumption and withdrawal (m 3 /MWh) both increased 0.93% and 0.31%, respectively. Emissions of CO 2 , SO 2 and NO x decreased 22.64%, 75% and 25% MT/MWh, respectively. Thermoelectric cooling withdrawal and consumption is led by natural gas (50.07%, 38.31%), coal (29.61%, 25.07%), and nuclear energies (13.55%, 18.99%). Electric power generation contributes 0.06 injuries–illnesses/TWh and 0.001 fatalities/TWh, of which fossil fuels contributed 70% and 15%, respectively. Fossil fuels led in average annual employment (0.02 employees/MW) with low cost salaries (USD 0.09/MW) likely due to high collective capacity, which is declining. Estimated rates in this study and framework will aid power industry transition and operational decision makers.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

High-performance and stable AgSbTe 2 -based thermoelectric materials for near room temperature applications

AgSbTe 2 -based ternary chalcogenides show excellent thermoelectric performance at low- and middle-temperature ranges, yet their practical applications are greatly limited by their intrinsic poor thermodynamic stability. In this work, we demonstrate that AgSbTe 2 -based ternary chalcogenides can be stabilized for service below their decomposition threshold. A series of Ag x Sb 2-x Te 3-x (x = 1.0, 0.9, 0.8 and 0.7) samples have been prepared by the melt-quenching method. Among them, phase pure Ag 0.9 Sb 1.1 Te 2.1 is verified by comprehensive structural characterizations from macroscale by X-ray diffraction to microscale by energy-dispersive spectroscopy and then to sub-nanometer scale by atom probe tomography. This composition is further chosen for the stability investigation. The decomposition threshold of Ag 0.9 Sb 1.1 Te 2.1 appears around 473K. Below this temperature, the chemical compositions and thermoelectric properties are barely changed even after 720 h annealing at 473 K. The figure-of-merit (zT) value of Ag 0.9 Sb 1.1 Te 2.1 below the decomposition threshold is very competitive for real applications even compared with Bi 2 Te 3 -based alloys. The average zT of Ag 0.9 Sb 1.1 Te 2.1 at 300–473 K reaches 0.84, which is higher than most other thermoelectric materials in a similar temperature range, promising applications in miniaturized refrigeration and power generation near room temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Magnetization around mix jets entering inertial confinement fusion fuel

Engineering features are known to cause jets of ablator materials to enter the fuel hot-spot in inertial confinement fusion implosions. The Biermann battery mechanism wraps them in a self-generated magnetic field. Here we show that higher-Z jets have an additional thermoelectric magnetic source term that is not present for hydrogen jets, verified here through a kinetic simulation. It has similar magnitude to the Biermann term. We then include this in an extended magneto-hydrodynamic approach to post process an xRAGE radiation-hydrodynamic implosion simulation. The simulation includes an accurate model for the capsule fill tube, producing a dense carbon jet that becomes wrapped in a 4000 T magnetic field. A simple spherical carbon mix model shows that this insulates the electron heat conduction enough to cause contraction of the jet to an optically thick equilibrium. The denser magnetized jet hydrodynamics could change its core penetration and therefore the final mix mass, which is known to be well correlated with fusion yield degradation. Fully exploring this will require self-consistent magneto-hydrodynamic simulations. Experimental signatures of this self-magnetization may emerge in the high energy neutron spectrum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Results for Voisin et al. 2020 [Data set]

These data files provide contemporary (2010) bulk electricity grid operations and transmission flow as simulated by PLEXOS and informed by historical and future generation constraints scenarios as informed by historical and future water availability at hydro and thermoelectric plants. Contact: Ana Dyreson , Nathalie Voisin Authors: Nathalie Voisin, Ana Dyreson, Tao Fu, Matt O'Connell, Sean Turner, Tian Zhou, Jordan Macknick

13 HYDRO ENERGY↗
NASA NTRS2011

NASA Tech Briefs, August 2011

Topics covered include: Miniature, Variable-Speed Control Moment Gyroscope; NBL Pistol Grip Tool for Underwater Training of Astronauts; HEXPANDO Expanding Head for Fastener-Retention Hexagonal Wrench; Diagonal-Axes Stage for Pointing an Optical Communications Transceiver; Improvements in Speed and Functionality of a 670-GHz Imaging Radar; IONAC-Lite; Large Ka-Band Slot Array for Digital Beam-Forming Applications; Development of a 150-GHz MMIC Module Prototype for Large-Scale CMB Radiation; Coupling Between Waveguide-Fed Slot Arrays; PCB-Based Break-Out Box; Multiple-Beam Detection of Fast Transient Radio Sources; Router Agent Technology for Policy-Based Network Management; Remote Asynchronous Message Service Gateway; Automatic Tie Pointer for In-Situ Pointing Correction; Jitter Correction; MSLICE Sequencing; EOS MLS Level 2 Data Processing Software Version 3; DspaceOgre 3D Graphics Visualization Tool; Metallization for Yb14MnSb11-Based Thermoelectric Materials; Solvent/Non-Solvent Sintering To Make Microsphere Scaffolds; Enhanced Fuel-Optimal Trajectory-Generation Algorithm for Planetary Pinpoint Landing; Self-Cleaning Coatings and Materials for Decontaminating Field-Deployable Land and Water-Based Optical Systems; Separation of Single-Walled Carbon Nanotubes with DEP-FFF; Li Anode Technology for Improved Performance; Post-Fragmentation Whole Genome Amplification-Based Method; Microwave Tissue Soldering for Immediate Wound Closure; Principles, Techniques, and Applications of Tissue Microfluidics; Robotic Scaffolds for Tissue Engineering and Organ Growth; Stress-Driven Selection of Novel Phenotypes; Method for Accurately Calibrating a Spectrometer Using Broadband Light; Catalytic Microtube Rocket Igniter; Stage Cylindrical Immersive Display; Vacuum Camera Cooler; Atomic Oxygen Fluence Monitor; Thermal Management Tools for Propulsion System Trade Studies and Analysis; Introduction to Physical Intelligence; Technique for Solving Electrically Small to Large Structures for Broadband Applications; Accelerated Adaptive MGS Phase Retrieval; Large Eddy Simulation Study for Fluid Disintegration and Mixing; Tropospheric Correction for InSAR Using Interpolated ECMWF Data and GPS Zenith Total Delay; Technique for Calculating Solution Derivatives With Respect to Geometry Parameters in a CFD Code; Acute Radiation Risk and BRYNTRN Organ Dose Projection Graphical User Interface; Probabilistic Path Planning of Montgolfier Balloons in Strong, Uncertain Wind Fields; Flight Simulation of ARES in the Mars Environment; Low-Outgassing Photogrammetry Targets for Use in Outer Space; Planning the FUSE Mission Using the SOVA Algorithm; Monitoring Spacecraft Telemetry Via Optical or RF Link; and Robust Thermal Control of Propulsion Lines for Space Missions.

Source record↗
DOE OSTI2022

Evaluating power grid model hydropower feasibility with a river operations model

Production cost models (PCMs) simulate dispatch of generators across a large power grid and are used widely by planners to study the reliability of electricity supply. As energy systems transition away from the thermoelectric technologies that have traditionally balanced electricity supply and demand, hydropower and its representation in PCMs is of increasing importance. A limitation of PCMs applied to continental power grids with diverse generation portfolios is that hydropower generation is simulated without full consideration of complex river dynamics, leading to possible misrepresentation of grid flexibility and performance. In addition, data used in PCMs may reflect outdated operating policies. In this paper we propose a hydropower generation feasibility test for PCMs. The approach uses a detailed hydropower model to determine whether the hourly hydropower schedule from a PCM with simplified monthly parameterization can be attained after accounting for realistic river dynamics and operating policies, such as spill requirements and general water movement and balance through a cascade reservoir system. We perform this hydropower generation test for the ‘Big 10’ hydropower system on the Columbia River (part of the Western Interconnect of the United States), revealing 9% overestimation of available hydropower generation in a PCM solution in an average hydrologic year. Our evaluation provides insight on the cost and opportunities for better representing hydropower in PCMs.

54 ENVIRONMENTAL SCIENCES↗