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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Non-volatile, solid state bistable electrical switch

A bistable switching element is made of a material whose electrical resistance reversibly decreases in response to intercalation by positive ions. Flow of positive ions between the bistable switching element and a positive ion source is controlled by means of an electrical potential applied across a thermal switching element. The material of the thermal switching element generates heat in response to electrical current flow therethrough, which in turn causes the material to undergo a thermal phase transition from a high electrical resistance state to a low electrical resistance state as the temperature increases above a predetermined value. Application of the electrical potential in one direction renders the thermal switching element conductive to pass electron current out of the ion source. This causes positive ions to flow from the source into the bistable switching element and intercalate the same to produce a non-volatile, low resistance logic state. Application of the electrical potential in the opposite direction causes reverse current flow which de-intercalates the bistable logic switching element and produces a high resistance logic state.

Williams, Roger M.↗
NASA NTRS1994

Spacecraft potential effects on the Dynamics Explorer 2 satellite

The relationship between the plasma environment and spacecraft potential is examined for the Dynamics Explorer 2 (DE 2) spacecraft in an attempt to improve the accuracy of ion drift measurements by the retarding potential analyzer (RPA). Because of the DE 2 orbit characteristics (apogee near 1000 km and perigee near 300 km) and the configuration of conducting surfaces on the spacecraft, thermal electrons and ions constituted the only significant contributions to the charging currents to the spacecraft surface for the majority of geophysical conditions encountered. The geomagnetic field had considerable effect on the spacecraft potential due to magnetic field confinement of the electrons as well as to the V x B electric field resulting from the movement of the spacecraft across magnetic field lines. Using a database of inferred spacecraft potentials from the RPA, measured electron temperatures from the Langmuir probe (LANG), and calculated V x B electric fields, we derive an algorithm for determining the spacecraft potential (at the location of the RPA on the spacecraft) for any point of the DE 2 orbit. Knowledge of the spacecraft potential subsequently allows us to retrieve relatively accurate ion drifts from the RPA data.

Anderson, P. C.↗
NASA NTRS1996

AIN-Coated Al(2)O(3) Substrates For Electronic Circuits

Type of improved ceramic substrate for high-frequency, high-power electronic circuits combines relatively high thermal conductivity of aluminum nitride with surface smoothness of alumina. Consists of 15-micrometer layer of AIN deposited on highly polished alumina. Used for packaging millimeter-wave gallium arsenide transmitter chips, power silicon chips, and like.

Kolawa, Elzbieta↗
DOE OSTI2023

Ga 4 C-family crystals, a new generation of star thermoelectric materials, achieved by band degeneracies, valley anisotropy, and strong phonon scattering among others

Using density functional theory combined with the Boltzmann transport equation, we uncover a new class of high-performance thermoelectric materials, i.e., supertetrahedral Ga 4 C-family materials characterized by an ultrahigh thermoelectric figure of merit (ZT), which is produced both by a large power factor and ultralow lattice thermal conductivity. The former is contributed by multiple electronic band degeneracies, flat bands and valley anisotropy, while the latter is contributed both by strong phonon scattering and low phonon group velocity. Furthermore, we find that tensile strain engineering may further suppress lattice thermal conductivity, while well retaining the multi-band degeneracies, valley anisotropy and flat bands. In addition to the band degeneracy, the scattering mechanism of the system can also dominate the power factor in the process of strain implementation. Consequently, a novel thermoelectric phenomenon, i.e., a high thermoelectric figure of merit, is observed in Ca 4 C with a ZT value larger than 4.4 under a small strain ratio (0.75%). In conclusion, our theoretical studies not only uncover a new class of high-performance thermoelectric materials integrating multiple effective mechanisms, but also establish a realistic material plateau to investigate the competitive effect of multiple factors on enhancing the thermoelectric figure of merit.

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

Phonon‐Dominated Energy Transport in Purely Metallic Heterostructures

Abstract Ultrafast X‐ray diffraction is used to quantify the transport of energy in laser‐excited nanoscale gold–nickel (Au–Ni) bilayers. Electron transport and efficient electron–phonon coupling in Ni convert the laser‐deposited energy in the conduction electrons within a few picoseconds into a strong non‐equilibrium between hot Ni and cold Au phonons at the bilayer interface. Modeling of the subsequent equilibration dynamics within various two‐temperature models confirms that for ultrathin Au films, the thermal transport is dominated by phonons instead of conduction electrons because of the weak electron–phonon coupling in Au.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Persistent hot carrier diffusion in boron arsenide single crystals imaged by ultrafast electron microscopy

Cubic boron arsenide (BAs) is promising for microelectronics thermal management because of its high thermal conductivity. Recently, its potential as an optoelectronic material is also being explored. However, it remains challenging to measure its photocarrier transport properties because of small sizes of available high-quality crystals. Here, we use scanning ultrafast electron microscopy (SUEM) to directly visualize the diffusion of photocarriers in BAs single crystals. Surprisingly, we observed ambipolar diffusion at low optical fluence with persistent hot carrier dynamics for above 200 ps, which can likely be attributed to the large frequency gap between acoustic and optical phonons, the same feature that is responsible for the high thermal conductivity. At higher optical fluence, we observed spontaneous electron-hole separation. Our results show BAs is an attractive optoelectronic material combining high thermal conductivity and excellent photocarrier transport properties. Finally, our study also demonstrates the capability of SUEM to probe photocarrier transport in emerging materials.

36 MATERIALS SCIENCE↗
NASA NTRS1972

The stable auroral red arc of October 31 - November 1, 1968 and its interaction with the neutral atmosphere

Satellite observations of electron temperature and the topside electron density structure are used to calculate the red arc according to the thermal conduction model. In this model, energy from the magnetosphere flows in the electron gas along geomagnetic field lines into the ionosphere. This energy heats the ambient F-region electrons sufficiently to excite the oxygen atoms to the O I(1D) level by collisional impact giving rise to the 6300 A emission characteristic of the arc. For the 31 October/1 November 1968 red arc, the calculated emission rate, geographical position, and horizontal extent of the red arc are in agreement with the photometric data obtained by airglow observatories. Almost all of the energy conducted into the red arc is ultimately transferred to the neutral gas through elastic and inelastic collisions. This energy drives a large thermal cell and the circulation extends the influence of the arc thousands of kilometers beyond the region of direct heat input. The calculated neutral gas temperature response to electron heating within the arc is small.

Roble, R. G.↗
DOE OSTI2026

Reverse phonon thermal flux from an applied electric field

In the phenomenon known as electron drag, a phonon thermal flux is established in a conducting crystal by an electric field applied under isothermal conditions through directed transfer of quasimomentum from the electronic charge current to the phonon subsystem. Prior understanding of this phenomenon involves a thermal current composed of low-frequency acoustic phonons that is in the same direction as the charge current. This results in an increase of the Peltier thermopower. Here, we show that it is also possible to establish a phonon thermal current that is in the opposite direction to the charge current, which we refer to as a reverse phonon thermal flux. We demonstrate this behavior both through a simple qualitative model and through first-principles calculations performed for three materials: p-type 𝜃-TaN, n-type BAs, and n-type Si. The reverse phonon flux is shown to arise through intervalley electron-phonon scattering processes involving high-frequency acoustic phonons. Unlike n-BAs and n-Si, the combined features in the band structure and phonon dispersions of p-type 𝜃-TaN promote a particularly large reverse phonon thermal flux comparable in magnitude to the oppositely directed thermal flux from low-frequency phonons. Finally, this work highlights a previously unrecognized behavior in the coupled electron-phonon system and advances our understanding of the rich physics of transport in solids.

lattice dynamics↗
DOE OSTI2022

High Temperature Thick Film Sensor Development Based on Refractory Oxide Semiconductors

Solid-state, high-temperature sensing devices are required for accurate temperature, strain/stress, and failure monitoring for a range of advanced manufacturing, transportation, and military applications. High temperature conditions limit sensing strategies, where typically traditional metal and semiconductor materials are unstable, and the sensing options are limited to optical spectroscopy methods. In addition, strategies to embed the sensors directly within active components and protective thermal refractory are of interest that permit near-environment sensing which is not possible with the traditional electronic materials and components. Rare-earth chromite semiconductors exhibit some properties of interest for high temperature sensing technologies, such as: high microstructure and chemical stability, relatively high electronic conductivity at high temperatures, and relative thermal expansion coefficient matching to refractory thermal protective insulation (such as high-zirconia and -alumina ceramics). In this work, n-type and p-type doped lanthanum chromites compositions were computationally modelled and prepared, and the electrical, thermoelectric, and thermomechanical properties were measured for the obtained material systems. A few compositions were then processed into thick film health and temperature sensors and tested at high temperatures. To establish relative stability under harsh environment conditions, post- mortem microstructure and chemical composition was characterized after extended and cycle testing at high temperatures.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Designing Quaternary and Quinary Refractory-Based High-Entropy Alloys: Statistical Analysis of Their Lattice Distortion, Mechanical, and Thermal Properties

The rapid evolution in materials science has resulted in a significant interest in high-entropy alloys (HEAs) for their unique properties. This study focuses on understanding both quaternary and quinary body-centered cubic (BCC) of 12 refractory-based HEAs, and on analysis of their electronic structures, lattice distortions, mechanical, and thermal properties. A comprehensive assessment is undertaken by means of density functional theory (DFT)-based first principles calculations. It is well known that multiple constituents lead to notable lattice distortions, especially in quinary HEAs. This distortion, in turn, has significant implications on the electronic structure that ultimately affect mechanical and thermal behaviors of these alloys such as ductility, lattice thermal conductivity, and toughness. Our in-depth analysis of their electronic structures revealed the role of valence electron concentration and its correlation with bond order and mechanical properties. Local lattice distortion (LD) was investigated for these 12 HEA models. M1 (WTiVZrHf), M7 (TiZrHfW), and M12 (TiZrHfVNb) have the highest LD whereas the models M3 (MoTaTiV), M5 (WTaCrV), M6 (MoNbTaW), and M9 (NbTaTiV) have the less LD. Furthermore, we investigated the thermal properties focusing on Debye temperature (ΘD), thermal conductivity (κ), Grüneisen parameter (γα), and dominant phonon wavelength (λdom). The NbTaTiV(M9) and TiVNbHf(M10) models have significantly reduced lattice thermal conductivities (κL). This reduction is due to the mass increase and strain fluctuations, which in turn signify lattice distortion. The findings not only provide an understanding of these promising materials but also offer guidance for the design of next-generation HEAs with properties tailored for potential specific applications.

Materials Science↗
DOE OSTI2026

Tailoring Thermal and Mechanical Performance Through Multimaterial Laser Powder Directed Energy Deposition of Copper and 17-4PH Stainless Steel

This study investigates the additive manufacturing (AM) processing, microstructural evolution, and resulting mechanical and thermal properties of multimaterial components combining 17-4PH stainless steel and pure copper (Cu) fabricated via laser powder directed energy deposition (LP-DED). Conventional tooling steels exhibit limited thermal conductivity, significantly constraining production throughput in high-volume processes. Incorporating Cu, with its superior thermal conductivity, could significantly enhance tool performance, though Cu and steel present metallurgical incompatibilities when processed via AM. A systematic investigation was conducted across compositions ranging from 0 to 100 wt% Cu, revealing critical thresholds influencing solidification behavior, defect formation, microstructure, hardness, and thermal transport. Optical microscopy, electron backscatter diffraction (EBSD), hardness testing, and thermal conductivity measurements provided comprehensive process–structure–property correlations. Severe hot cracking occurred at low-Cu contents (6–25 wt%), aligning generally well with crack susceptibility modeling, with an unexpected discrepancy at 25 wt%. Porosity remained low (≥99% dense) throughout the compositional spectrum. EBSD analysis revealed a transformation from columnar martensitic structures at low-Cu contents to equiaxed FCC Cu-dominated structures at higher Cu concentrations, highlighting the complex microstructural transitions driven by Cu-induced changes in solidification and phase stability. Hardness decreased from 330 HV (pure 17-4PH) to 62 HV (pure Cu), consistent with microstructural changes. Concurrently, thermal conductivity improved substantially from 13.5 W/m K to 367.9 W/m K, emphasizing Cu’s dominant role in thermal transport. The findings highlight the feasibility of leveraging compositional gradients between 17-4PH and Cu to achieve tailored tooling with optimized thermal and mechanical performance.

17-4PH↗
DOE OSTI2025

Mitigation of Boiling-Induced Thermal Degradation Using Microporous Nickel Inverse Opals Structures

Engineered microporous structures have received much attention in high-heat-flux electronics cooling due to their high thermal conductivity and permeability, and large surface area for heat transfer, but are susceptible to boiling-induced thermal degradation. Here, this study investigates the efficacy of nickel inverse opals (NiIOs) in mitigating structural degradation caused by corrosion-assisted erosion during pool boiling with water as the working fluid. First, we compared the reliability of NiIOs to copper inverse opals (CuIOs) for a 3-day pool boiling test at constant heat flux. The NiIOs demonstrated superior resistance to thermal degradation due to their inherent corrosion resistance and mechanical strength. Subsequently, we conducted a more controlled experiment to show the effect of heat flux on the degradation of the NiIOs while excluding the effect of temperature variations. Pool boiling tests of 20-μm-thickness NiIOs covering an area of ∼11 × 11 mm 2 with a 2.5 × 2.5 mm 2 heater at the center were conducted at heat flux levels of 20%, 40%, and 60% of the critical heat flux (CHF) for 3 days. The NiIOs subjected to heat flux levels of 20% and 40% CHF showed minimal degradation, while the sample subjected to 60% CHF showed erosion on the top surface due to higher bubble formation and departure rate. These results show the potential of NiIOs as a promising solution for long-term thermal management in high-power electronic devices, although design considerations for maximum allowable heat flux are necessary for reliable operation.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Impurity-Induced Anomalous Thermal Hall Effect in Chiral Superconductors

Chiral superconductors exhibit novel transport properties that rely on the topology of the order parameter, topology of the Fermi surface, the spectrum of bulk and edge Fermionic excitations, and the structure of the impurity potential. In the case of electronic heat transport, impurities induce an anomalous (zero-field) thermal Hall conductivity that is easily orders of magnitude larger than the quantized edge contribution. The effect originates from branch-conversion scattering of Bogoliubov quasiparticles by the chiral order parameter, induced by potential scattering. The former transfers angular momentum between the condensate and the excitations that transport heat. The anomalous thermal Hall conductivity is shown to depend to the structure of the electron-impurity potential, as well as the winding number ν of the chiral order parameter $Δ(p)=|Δ(p)|e^{iν\phi_p}$. The results provide quantitative formulas for interpreting heat transport experiments seeking to identify broken T and P symmetries, as well as the topology of the order parameter for chiral superconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Structural Damage and Recrystallization Response of Garnet Crystals to Intense Electronic Excitation

Here, the susceptibility to irradiation-induced damage, the fundamental mechanism of the relaxation kinetics, and the corresponding recrystallization effect related to the cation radius ratio are comprehensively investigated for Y 3 Al 5 O 12 and Gd 3 Ga 5 O 12 garnet crystals under 645 MeV Xe 35+ irradiation with different fluences of 5 × 10 11 –3 × 10 12 ions cm –2 . Regarding different lattice distortion and swelling levels, the observed microstructure transformations to disordered and amorphous phases, and corresponding hillock dimensions, consistently confirm that Gd 3 Ga 5 O 12 has a higher susceptibility to radiation damage than Y 3 Al 5 O 12 . Combined with iTS model calculations, although Y 3 Al 5 O 12 has higher atomic temperature and energy deposition than Gd 3 Ga 5 O 12 under the same ion velocity and electronic energy loss, the relatively high thermal conductivity and specific heat coefficient of Y 3 Al 5 O 12 crystals enhance the conduction and dissipation of deposition energy, and Gd 3 Ga 5 O 12 , with a higher cation-radius-ratio (r A /r B ), is more easily damaged to amorphous phase due to the less favorable kinetics of ordering and recovery of a melted track region to the crystalline phase. Additionally, the significant bandgap modification in spectral ranges of 5.88–6.75 eV for Y 3 Al 5 O 12 and 4.83–5.41 eV for Gd 3 Ga 5 O 12 , and the enhancement of defect-assisted-related luminescence are achieved, providing a basis to design novel optoelectronic devices in microelectronics fields.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure-thermal property relationships of aikinite PbCuBiS 3

Understanding the structural properties and chemical bonding in complex multinary chalcogenides is highly valuable, as it provides vital information for controlling their physical properties to suit various technological applications. Here, we report on the structural, thermal, and electronic properties of PbCuBiS 3 by incorporating an experimental and theoretical investigation of this material. Analysis of the experimental temperature-dependent heat capacity and thermal conductivity data show that weak bonding and strong lattice anharmonicity give rise to ultralow thermal conductivity. Chemical bonding information obtained from the density functional theory electronic calculations reveal significant antibonding interactions that underscore the dominant role of the Cu-S tetrahedra on occupied antibonding states, as well as a highly distorted Pb/Bi-S environment inducing weak bonding and strong lattice anharmonicity. This study broadens our understanding of the structure-property relationships for this material, and can be useful for developing this and similar chalcogenide materials for potential applications of interest.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Finding the order in complexity: The electronic structure of 14-1-11 zintl compounds

Yb 14 MnSb 11 and Yb 14 MgSb 11 have rapidly risen to prominence as high-performing p-type thermoelectric materials. However, the fairly complex crystal structure of A 14 MX 11 Zintl compounds renders the interpretation of the electronic band structure obscure, making it difficult to chemically guide band engineering and optimization efforts. In this work, we delineate the valence-balanced Zintl chemistry of A 14 MX 11 compounds using the molecular orbital theory. By analyzing the electronic band structures of Yb 14 MgSb 11 and Yb 14 AlSb 11 , we show that the conduction band minimum is composed of either an antibonding molecular orbital originating from the (Sb 3 ) 7– trimer or a mix of atomic orbitals of A, M, and X. The singly degenerate valence band is comprised of non-bonding Sb pz orbitals primarily from the Sb atoms in the (MSb 4 ) m– tetrahedra and of isolated Sb atoms distributed throughout the unit cell. Such a chemical understanding of the electronic structure enables strategies to engineer electronic properties (e.g., the bandgap) of A 14 MX 11 compounds.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An Investigation of Thermal Properties of 2D Materials [Dissertation]

Studying the thermal conductivity of 2D materials is important due to the applications of 2D materials in fields such as thermal management, thermoelectricity, renewable energy, and sensors. As such, measurements of the thermal conductivity of these 2D materials become important to measure. Thermal conductivity is often difficult to measure for 2D materials due to their atomically thin nature and many experimental methods for doing so requiring contact with the sample, which can alter the thermal properties. A non-contact method for calculating the thermal conductivity of 2D materials supported on substrates in order to model the thermal conductivity of 2D materials for devices, is proposed and experimentally performed in this dissertation. The optothermal Raman technique is a useful non-contact diagnostic technique useful in determining the thermal conductivity of 2D materials. The optothermal Raman typically does not account for heat losses due to convection or radiation or substrate resistance, which are shown to be important factors to consider when developing an optothermal Raman model. Additionally, the calculation of the interfacial thermal conductance between the bottom surface of the sample and the top surface of the substrate, plays an important role in determining the final value of the thermal conductivity of a supported sample, and will yield differing results based on whether or not the conductance is calculated using an approach such as the Diffuse Mismatch Model (DMM) or calculated directly by varying the laser heating profile (usually done by changing the laser objective). This is shown to be the case for both graphene on Ni, graphene on Cu, and SnSe 2 on Cu. In addition to experimentally calculating the thermal conductivity of a 2D material with the optothermal Raman technique, the thermal conductivity of 2D materials can also be calculated using computational methods. The three-phonon method is a method which can be used to simulate phonon scattering processes and determine the thermal conductivity of semiconductors, wherein phonon scattering is the dominant mechanism which determines the thermal conductivity. The three-phonon method uses relaxation times for phonon scattering with other phonons, electrons, and other material system elements, such as isotopes or material defects, in order to create a single-mode relaxation time approximation (SMRTA), which is used to calculate the final value of the thermal conductivity. An important consideration when determining the thermal conductivity of a 2D material using this method is the device geometry, which is reflected in this work as the phonon-boundary scattering relaxation time. This inclusion is important along with the inclusion of phonon-electron scattering in accurately determining the thermal conductivity of a 2D material. In both the optothermal Raman experiments and the three-phonon method computations, strain is shown to have a demonstrable effect on the thermal conductivity of 2D materials. When a 1.1% strain was applied to the mechanical properties of SnSe, the three-phonon processes yielded a lower thermal conductivity than the no-strain case. For the optothermal Raman experiments, the strain induced in the Cu substrate and transferred to a single-layer graphene (SLG) sample yields a trend where the thermal conductivity of the SLG decreases with respect to strain applied. In the case where the interfacial thermal conductance was calculated directly, the conductance increased with respect to strain applied. This presents strain as a reliable and viable method for tuning the thermal properties of 2D materials for device applications.

36 MATERIALS SCIENCE↗