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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Thermal Conductivity of Graphene Coated Copper Under Uniaxial Tensile Mechanical Strain

Graphene continues to demonstrate promise as a highly effective barrier coating, even at only one atom thick. The thermal properties of this coating are also promising to allow diffusion of heat across the surface, as the isolated graphene is an intrinsically good thermal conductor, yet this and its behavior under mechanical deformation has been less extensively studied. This report demonstrates that the in-plane thermal conductivity and interfacial thermal conductance of graphene coatings on copper are affected by mechanical strain. By inducing a strain in the copper substrate, the Raman-active 2D peak exhibits a change in position as well as a change in laser power dependence as the copper substrate is uniaxially elongated to a maximum of 0.5%. Non-linear trends in thermal conductivity are observed with tensile strain in samples with differing strain transfer rates from the substrate, indicating the close correlation between intrinsic thermal conduction and interfacial properties in atomically thin coatings transferred onto metals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Picosecond magneto-optic thermometry measurements of nanoscale thermal transport in AlN thin films

The thermal conductivity Λ of wide bandgap semiconductor thin films, such as AlN, affects the performance of high-frequency devices, power devices, and optoelectronics. However, accurate measurements of Λ in thin films with sub-micrometer thicknesses and Λ > 100 W m -1 K -1 is challenging. Widely used pump/probe metrologies, such as time–domain thermoreflectance (TDTR) and frequency–domain thermoreflectance, lack the spatiotemporal resolution necessary to accurately quantify thermal properties of sub-micrometer thin films with high Λ. In this work, we use a combination of magneto-optic thermometry and TiN interfacial layers to significantly enhance the spatiotemporal resolution of pump/probe thermal transport measurements. We use our approach to measure Λ of 100, 400, and 1000 nm AlN thin films. We coat AlN thin films with a ferromagnetic thin-film transducer with the geometry of (1 nm-Pt/0.4 nm-Co) x3 /(2 nm-TiN). This PtCo/TiN transducer has a fast thermal response time of <50 ps, which allows us to differentiate between the thermal response of the transducer, AlN thin film, and substrate. For the 100, 400, and 1000 nm thick AlN films, we determine Λ to be 200 ± 80, 165 ± 35, and 300 ± 70 W m -1 K -1 , respectively. We conclude with an uncertainty analysis that quantifies the errors associated with pump/probe measurements of thermal conductivity, as a function of transducer type, thin-film thermal conductivity, and thin-film thickness. Time resolved magneto-optic Kerr effect experiments can measure films that are three to five times thinner than is possible with standard pump/probe metrologies, such as TDTR. This advance in metrology will enable better characterization of nanoscale heat transfer in high thermal conductivity material systems like wide bandgap semiconductor heterostructures and devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Expression of interfacial Seebeck coefficient through grain boundary engineering with multi-layer graphene nanoplatelets

Energy filtering has been a long-sought strategy to enhance a thermoelectric material's figure of merit zT through improving its power factor. Here we show a composite of multi-layer graphene nanoplatelets (GNP) and n-type Mg 3 Sb 2 leads to the expression of an energy filtering like effect demonstrated by an increase in the material's Seebeck coefficient and maximum power factor, without impact on the material's carrier concentration. We analyse these findings from the perspective of a heterogeneous material consisting of grain and grain boundary phases, instead of a more traditional and common analysis that assumes a homogeneously transporting medium. An important implication of this treatment is that it leads to the development of an interfacial Seebeck coefficient term, which can explain the observed increase in the material's Seebeck coefficient. The contribution of this interfacial Seebeck coefficient to the overall Seebeck coefficient is determined by the relative temperature drop across the grain boundary region compared to that of the bulk material. In Te doped Mg 3 Sb 2 we show the introduction of GNP increases the interfacial thermal resistance of grain boundaries, enhancing the contribution of the interfacial Seebeck coefficient arising from grain boundaries to the overall Seebeck coefficient. Without significant detriment to the electrical conductivity this effect results in a net increase in maximum power factor. This increased interfacial thermal resistance also leads to the synergistic reduction of the total thermal conductivity. As a result, we enhance zT of the Mg 3 Sb 2 to a peak value of 1.7 near 750 K. Considering the two-dimensional nature of the grain boundary interface, this grain boundary engineering strategy could be applied to a few thermoelectric systems utilizing various two-dimensional nanomaterials.

42 ENGINEERING↗
DOE OSTI2023

GaSb doping facilitates conduction band convergence and improves thermoelectric performance in n-type PbS

P-type lead chalcogenides have superior thermoelectric performance because they exhibit the energy convergence of several valence bands. However, despite the existence of two conduction bands, there has been no report about conduction band (CB) convergence for n-type counterparts because of the large energy difference between them. Therefore, new strategies are required to manipulate the CBs if enhancing the electrical transport performance of n-type lead chalcogenides is to be achieved. PbS is a highly attractive member of the lead chalcogenides because of its high earth-abundance and low cost. Here, we report that the introduction of GaSb can successfully dope the PbS matrix with Ga and Sb atoms occupying the Pb site in its rock salt structure. GaSb doping leads to conduction band convergence and enlarged effective density of state mass for n-type PbS. This effect results in superior power factor and decreased lattice thermal conductivity caused by the soft phonon modes and point defect scattering of phonons. Consequently, a record-high average power factor PF avg of ~20.4 μW cm –1 K –2 and figure of merit ZT avg of ~0.84 in the temperature range of 400 K to 923 K were obtained, higher than any n- and p-type PbS-based thermoelectric materials.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of multifunctional nylon 6,6-based nanocomposites with high electrical and thermal conductivities by scalable melt and dry blending methods for automotive applications

With the advent of intelligent automobile technology, the demand for multifunctional composites with higher electrical and thermal conductivities is increasing. We have herein reported for the first time the effect of polyolester on the dispersion of carbon nanotube (CNT) in the short-carbon fiber (CF)/nylon 6,6 (PA66) composite using a scalable melt-mixing and dry-blending method and its subsequent improvement in electrical and thermal conductivities. Masterbatches were prepared with a higher concentration of CNT (both untreated and polyolester-treated) followed by dry blended with reference composite (30 wt% CF and 10 wt% mineral fiber filled PA66) before making coupons via injection molding. A 500% and 63% improvements in electrical (3.14 S cm -1 ) and thermal conductivities (in-plane) (1.99 W m -1 K -1 ) conductivities were observed by adding 1.5 wt% treated CNT compared to the reference composite. The improvements were even higher than that of untreated CNT due to better dispersion. Furthermore, the electromagnetic shielding effectiveness reached 61 dB for 1.5 wt% treated CNT-filled composite (39% enhancement). In conclusion, these results are significant in imparting multiple functionalities to the automotive composite parts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Engineering Thermal Transport across Layered Graphene–MoS 2 Superlattices

Layering two-dimensional van der Waals materials provides a high degree of control over atomic placement, which could enable tailoring of vibrational spectra and heat flow at the sub-nanometer scale. In this work, using spatially resolved ultrafast thermoreflectance and spectroscopy, we uncover the design rules governing cross-plane heat transport in superlattices assembled from monolayers of graphene (G) and MoS 2 (M). Using a combinatorial experimental approach, we probe nine different stacking sequences, G, GG, MG, GGG, GMG, GGMG, GMGG, GMMG, and GMGMG, and identify the effects of vibrational mismatch, interlayer adhesion, and junction asymmetry on thermal transport. Pure G sequences display evidence of quasi-ballistic transport, whereas adding even a single M layer strongly disrupts heat conduction. The experimental data are described well by molecular dynamics simulations, which include thermal expansion, accounting for the effect of finite temperature on the interlayer spacing. The simulations show that an increase of ~2.4% in the layer separation of GMGMG, relative to its value at 300 K, can lead to a doubling of the thermal resistance. Using these design rules, we experimentally demonstrate a five-layer GMGMG superlattice “thermal metamaterial” with an ultralow effective cross-plane thermal conductivity comparable to that of air.

2D materials↗
DOE OSTI2020

GaN thermal transport limited by the interplay of dislocations and size effects

Measurements and first-principles calculations probe the temperature-dependent thermal conductivity (k) of GaN films with large densities of highly oriented dislocations. We demonstrate that phonon-dislocation scattering is weaker than suggested by previous measurements, likely due to sample and experiment size effects. Nonetheless, dislocation-limited k is observed in samples with large dislocation densities and at lower temperatures where k anisotropy is also observed. Combination of experiment and theory give insights into the interplay of thermal resistance mechanisms limiting GaN functionalities and suggest pathways for tuning k via defect engineering.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Alloying Effects on the Transport Properties of Refractory High-entropy Alloys

Additive Manufacturing (AM) has opened new frontiers for the design of refractory high-entropy alloys (HEAs) for high-temperature applications. The thermal conductivity of the AM feedstock is among the most important thermo-physical properties that control the melting and solidification process. Despite its significance, there remains a notable gap in both computational and experimental research concerning the thermal conductivity of HEAs. Here, we use density functional theory (DFT) to systematically investigate the alloying effects on the transport properties of Ti-Cr-Mo-W-V-Nb-Ta RHEAs, including electrical and thermal conductivities and Seebeck coefficient. The relaxation time of charge carriers is a key underlying parameter determining thermal conductivity that is exceedingly challenging to predict from first principles alone, and we thus follow the approach by Mukherjee, Satsangi, and Singh [Chem Mater 32, 6507 (2022)] to optimize the relaxation time for RHEAs. Here we validated thermal conductivity predictions on elemental solids, binary and ternary alloys, and RHEAs and compared them against thermodynamic (CALPHAD) predictions and our experiments with good correlations. To understand observed trends in thermal conductivity, we assessed the phase stability, electronic structure, phonon, and intrinsic- and tensile strength of down-selected RHEAs. Our electronic structure and phonon results connect well with the observed compositional trends for thermal transport in RHEAs. Our DFT assessment and CALPHAD predictions provide a unique design guide for RHEAs with tailored thermal conductivity, a critical consideration for AM and thermal-management applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stabilization of high-performance rock-salt LiMnSbTe3 thermoelectrics with embedded van der Waals-like gaps

Rock-salt-structured compounds like lead chalcogenides are promising thermoelectrics, as their high symmetry, strong anharmonicity, and favorable phase behavior collectively lead to high performance by enabling large power factors and ultralow thermal conductivity. Here, we report LiMnSbTe 3 , a new rock-salt semiconductor stabilized through targeted chemical design by combining hexagonal MnTe with cubic LiSbTe 2 . Embedded in the highsymmetry matrix, van der Waals-like gaps form due to Sb 2 Te 3 nanoscale segregation, which acts as effective phonon-scattering centers, leading to a low lattice thermal conductivity of 0.37Wm- 1 K -1 at 873 K with alloy scattering from disordered cations. The ordered local structure of Sb2Te 3 -type vdW-like gaps and the cross-gap interaction facilitate the carrier transport. Aided by energyconverged valence bands and a paramagnon drag effect, high Seebeck coefficients and enhanced power factor can be achieved, leading to a high ZT of 1.2 at 873 K. Furthermore, introducing Mn deficiency increases ZT to 1.5, highlighting the potential for higher performance through optimized doping or alloying. A segmented single-leg thermoelectric module achieves an output power density of 0.52 Wcm -2 and an efficiency of 8.7% under ΔT of 478 K, further demonstrating its promising thermoelectric applications.

42 ENGINEERING↗
DOE OSTI2020

Frontiers in Thermal Transport and Energy Conversion: Proceedings of a Workshop

Thermal transport and energy conversion has remained an active field for at least 200 years, with numerous opportunities for discoveries and new applications. Recently, experiments have advanced researchers’ understanding of basic physics, and how new discoveries might translate into applications in energy, materials, quantum technologies, and other areas. The National Academies convened a workshop on April 11, 2019 to identify and assess the frontier of current research in the field of thermal transport and energy conversion. Discussions involved topics related to thermal transport and quasi-particle hydrodynamics, thermal transport beyond the quasiparticle paradigm, the thermal hall effect from neutral spin excitations in frustrated quantum magnets, quantization of the thermal hall conductivity at small hall angles, and thermal spin transport, including spin-Seebeck and magnon drag effects. These topics were strategically selected with the goal of uncovering key challenges, opportunities, and issues in order to guide future efforts and investments to advance the field. This publication offers a condensed summary of the discussions and presentations from the workshop, which was unclassified and open to the public.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Elastocaloric effect in vanadium (IV) oxide

Elastocaloric cooling utilizes the latent heat associated with stress-induced reversible phase transformations to achieve cooling. Currently, the key barrier to this technology is its prohibitive cost due to the high elastocaloric material cost and the large stress required to drive the cooling cycle. Vanadium (IV) oxide (VO 2 ) is a good candidate, and it is relatively cheap. Our calorimetry study shows it exhibits a reversible phase transformation with a large latent heat of 31.5 J/g, as well as excellent functional stability. Its transformation temperature and latent heat are tunable via heat treatment. We demonstrated that VO 2 powders can be cyclically compressed in a steel tube using a steel plunger to drive the elastocaloric effect. The application of relatively low stress of 300 MPa is sufficient to result in a reversible temperature change of 0.5 °C on the powder compact. Further improvement of reversible temperature change to 1.6 °C under 300MPa is achieved by adding conductive copper powders. Future efforts should focus on improving material properties such as heat capacity and thermal conductivity for candidate ceramic oxides to maximize elastocaloric effects.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Expansion-driven Weibel instability in magnetohydrodynamics: Linear theory for static systems

The Weibel dispersion relation is obtained in the magnetohydrodynamic (MHD) approximation by including a tensor expression for temperature. MHD gives an upper cutoff wavenumber for Weibel growth identical to kinetic theory if the electron drift velocity is included in the evolution of the electron temperature. MHD overestimates growth rates compared to kinetic theory and gives maximum growth at larger wavenumbers, but it only leads to divergent results as temperature anisotropy tends to infinity. Thermal conduction in MHD lowers the growth rates and shifts maximum growth to smaller wavenumbers, but flux-limited or nonlocal thermal conduction is found to significantly limit these effects. The results are used as a first step in evaluating the potential of MHD to simulate expansion-driven Weibel instability, which occurs due to the temperature tensor only cooling in the direction of expansion. Finally, the small temperature anisotropy found in expansion-driven Weibel instability means that MHD could be an adequate model because growth rates are much less than the electron plasma frequency, and wavelengths are much greater than the Debye length.

Davies, J. R. [Univ. of Rochester, NY (United Stat↗
DOE OSTI2020

Evaluation of Doped-LaCrO3 ceramics for high temperature sensor applications

The main objective of this work was to investigate the applicability of the doped-LaCrO3 system for electrical interconnects and sensor applications at temperatures >800°C. Various A- and B-site doping strategies were investigated, and the effect on their electrical conductivity, Seebeck coefficient, and thermal coefficient of expansion were characterized up to 1500ºC. Solid-state, co-precipitation and sol gel methods were used to synthesize the compositions, and the chemical/thermal stability, microstructural evolution, sintering and grain growth kinetics were investigated for these compositions by XRD, SEM and Rietveld methods. The materials showing the greatest promise were included within thick film thermistor and thermocouple sensor designs that were tested to 1500ºC in various gas environments (various pO2 concentrations).

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

The Effect of Hydrothermal Alteration and Microcracks on Hydraulic Properties and Poroelastic Deformation: A Case Study of the Blue Mountain Geothermal Field

Abstract Geothermal energy plays a vital role in decarbonizing electricity and heat supply. Effective utilization of geothermal resources hinges on identifying or generating permeable reservoir zones and understanding how effective pressure variations affect fluid circulation and reservoir properties by poroelastic deformation. Hydrothermal alteration can modify the petrophysical properties of geothermal reservoir rocks, which may increase or decrease its productivity. Understanding these alteration effects is essential to predict and optimize long‐term sustainable geothermal operations. Here, we investigate the impact of hydrothermal alteration on poroelastic and hydraulic properties of diverse lithologies in a series of deformation tests performed at several confining (0–80 MPa) and pore pressure (10–30 MPa) levels. Experimental results of hydrothermally altered dikes and phyllites obtained from the Blue Mountain geothermal field (Nevada, USA) are compared to thermally cracked La Peyratte granite (France) and correlated with petrophysical properties, mineral composition, and microstructures. Argillic alteration of dikes increases porosity and storage capacity but lowers thermal conductivity and increases pore compressibility. Conversely, silicate precipitation in phyllites increases stiffness and thermal conductivity but also reduces porosity and permeability. Experimentally determined effective pressure coefficients range from 0.1 to 0.9, differ for permeability and volumetric strain and decrease with increasing effective pressure. The presence of compliant microcracks and crack‐like pores significantly increases the stress sensitivity of La Peyratte granite and silicified phyllites. This study demonstrates how thermal and chemical alteration impacts poromechanical and petrophysical characteristics of geothermal targets, which ultimately govern reservoir stability and subsidence, induced seismicity as well as fluid and heat extraction efficiency during geothermal operations.

Schuster, Valerian [Helmholtz Centre Potsdam GFZ G↗
DOE OSTI2024

Effects of N-Doping on Silicon Carbide

Silicon carbide (SiC) is a widely preferred material within many industries due to its favorable properties, most notably its low electrical resistivity at high temperatures, excellent thermal conductivity, and sturdy mechanical properties. Doping, particularly n-type doping, is shown to extremely reduce electrical resistivity, but due to structural changes within the lattice caused by interaction with thermal neutrons, it is possible that other attributes of SiC may also be affected. In addition to review of past literature and data, four-point probe testing, scanning electron microscopy, nanoindentation, strength tests, differential scanning calorimetry and laser flash analysis were used to investigate the effects of n-doping 3C ß-phase SiC. According to temperature dependent measurements, electric resistivity and thermal conductivity both declined as dopant levels increases. Dopant levels are shown to have a significant effect on the mechanical performance of SiC, with the highest dopant levels (4 x 1018 cm-3) providing a 40% decrease in elastic modulus from 420 GPa to 258 GPa and a 30% decrease in hardness from 40 GPa to 27.7 GPa. These values are still above average and doped SiC may prove valuable for nuclear applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Bifunctional Asymmetric Fabric with Tailored Thermal Conduction and Radiation for Personal Cooling and Warming

Personal thermal management is emerging as a promising strategy to provide thermal comfort for the human body while conserving energy. By improving control over the heat dissipating from the human body, personal thermal management can provide effective personal cooling and warming. Here, we propose a facile surface modification approach to tailor the thermal conduction and radiation properties based on commercially available fabrics, to realize better management of the whole heat transport pathway from the human body to the ambient. Additionally, a bifunctional asymmetric fabric (BAF) offering both a cooling and a warming effect is demonstrated. Due to the advantages of roughness asymmetry and surface modification, the BAF demonstrates an effective cooling effect through enhanced heat conduction and radiation in the cooling mode; in the warming mode, heat dissipation along both routes is reduced for personal warming. As a result, a 4.6 °C skin temperature difference is measured between the cooling and warming BAF modes, indicating that the thermal comfort zone of the human body can be enlarged with one piece of BAF clothing. We expect this work to present new insights for the design of personal thermal management textiles as well as a novel solution for the facile modification of available fabrics for both personal cooling and warming.

42 ENGINEERING↗
DOE OSTI2024

Anomalous lattice thermal conductivity increase with temperature in cubic GeTe correlated with strengthening of second-nearest neighbor bonds

Understanding thermal transport mechanisms in phase change materials is critical to elucidating the microscopic picture of phase transitions and advancing thermal energy conversion and storage. Experiments consistently show that cubic phase germanium telluride (GeTe) has an unexpected increase in lattice thermal conductivity with rising temperature. Despite its ubiquity, resolving its origin has remained elusive. In this work, we carry out temperature-dependent lattice thermal conductivity calculations for cubic GeTe through efficient, high-order machine-learned models and additional corrections for coherence effects. We corroborate the calculated phonon properties with our inelastic X-ray scattering measurements. Our calculated lattice thermal conductivity values agree well with experiments and show a similar increasing trend. Through additional bonding strength calculations, we propose that a major contributor to the increasing lattice thermal conductivity is the strengthening of second-nearest neighbor interactions. The findings herein serve to deepen our understanding of thermal transport in phase-change materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Reversible two-way tuning of thermal conductivity in an end-linked star-shaped thermoset

Polymeric thermal switches that can reversibly tune and significantly enhance their thermal conductivities are desirable for diverse applications in electronics, aerospace, automotives, and medicine; however, they are rarely achieved. Here, we report a polymer-based thermal switch consisting of an end-linked star-shaped thermoset with two independent thermal conductivity tuning mechanisms—strain and temperature modulation—that rapidly, reversibly, and cyclically modulate thermal conductivity. The end-linked star-shaped thermoset exhibits a strain-modulated thermal conductivity enhancement up to 11.5 at a fixed temperature of 60 °C (increasing from 0.15 to 2.1 W m –1 K –1 ). Additionally, it demonstrates a temperature-modulated thermal conductivity tuning ratio up to 2.3 at a fixed stretch of 2.5 (increasing from 0.17 to 0.39 W m –1 K –1 ). When combined, these two effects collectively enable the end-linked star-shaped thermoset to achieve a thermal conductivity tuning ratio up to 14.2. Moreover, the end-linked star-shaped thermoset demonstrates reversible tuning for over 1000 cycles. The reversible two-way tuning of thermal conductivity is attributed to the synergy of aligned amorphous chains, oriented crystalline domains, and increased crystallinity by elastically deforming the end-linked star-shaped thermoset.

42 ENGINEERING↗