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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Selective Covalent Basal Plane Modification as a Probe of Hydroxide Ion Conduction Pathways in Magnesium Aluminum Layered Double Hydroxides

Understanding ionic conduction in layered double hydroxides (LDHs) is a crucial step towards utilizing them as solid, hydroxide ion‐conducting electrolytes in energy conversion applications. We selectively modified the interlayer and external surfaces of MgAl LDHs with tris(hydroxymethyl)aminomethane (TRIS) ligands. By adjusting the concentration of the TRIS surface modifier, the LDH basal plane surfaces could be functionalized everywhere (internally and externally) or only externally. External modification resulted in loss of OH‐conductivity compared to pristine LDHs, confirming that external platelet surfaces are the primary ion conduction pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Thermal Conductivity Measurement of Molten Cu-Co Alloy Using an Electromagnetic Levitator Superimposed with a Static Magnetic Field

The thermal conductivity of molten Cu-Co alloy with different compositions around the liquidus line temperature was measured by the periodic laser-heating method using an electromagnetic levitator superimposed with a static magnetic field to suppress convection in a levitated droplet sample. During the measurement, a static magnetic field of 10 T was applied to the levitated droplet. To confirm that the strength of the static magnetic field was sufficient to suppress convection in the droplet, numerical simulations were performed for the flow and thermal fields in an electromagnetically levitated droplet under a static magnetic field, and moreover, for the periodic laser-heating method to determine the thermal conductivity. It was found that the thermal conductivity of molten Cu-Co alloy increased gradually with increasing Cu composition up to 80 at. pct, beyond which it increased markedly and reached that of pure Cu. In addition, it was found that the composition dependence of the thermal conductivity can be explainable by the Wiedemann–Franz law.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Thermophysical Properties of Cold- and Vacuum Plasma-Sprayed Cu-Cr-X Alloys, NiAl and NiCrAlY Coatings I: Electrical and Thermal Conductivity, Thermal Diffusivity, and Total Hemispherical Emissivity

This two-part paper reports the thermophysical properties of several cold- and vacuum plasma-sprayed monolithic Cu- and Ni-based alloy coatings. Part I presents the electrical and thermal conductivity, thermal diffusivity, and total hemispherical emissivity data, while Part II reports the specific heat capacity data for these coatings. Metallic copper alloys and stoichiometric NiAl and NiCrAlY coatings were fabricated by either the cold spray or the vacuum plasma spray deposition processes for thermal property measurements between 77 and 1223 K. The temperature dependencies of the thermal conductivities, thermal diffusivities, electrical conductivities, and total hemispherical emissivities of these cold- and vacuum-sprayed monolithic coatings are reported in this paper. The electrical and thermal conductivity data correlate reasonably well for Cu-8%Cr-1%Al, Cu-23%Cr-5%Al, and NiAl in accordance with the Wiedemann–Franz (WF) law although a better fit is obtained using the Smith–Palmer relationship. The Lorentz numbers determined from the WF law are close to the theoretical value.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Comparison of Experimental Measurements of Thermal Conductivity of Fe{sub 2}O{sub 3} Nanofluids Against Standard Theoretical Models and Artificial Neural Network Approach

In the present work, the practicability of Fe{sub 2}O{sub 3} nanofluids for heat transfer applications has been examined. Nanofluids performance, in terms of modulation of thermal conductivity, has been investigated with increasing concentration of Fe{sub 2}O{sub 3} nanoparticles in water and ethylene glycol base fluids at 10, 20, 30, 40, 50, 60 and 70 °C. Fe{sub 2}O{sub 3} nanoparticles have been synthesized using the wet chemical method and characterized using TEM, SEM, XRD and UV–Vis. The characterization results revealed a face-centered cubic structure having alpha phase and particle size in the range of 40-55 nm for the synthesized Fe{sub 2}O{sub 3} nanoparticles. Thermal conductivity measurement results show increases in thermal conductivity with the increase in concentration and temperature of nanofluids. 16.45 and 19.76% enhancement in thermal conductivity have been observed for Fe{sub 2}O{sub 3}–water and Fe{sub 2}O{sub 3}–ethylene glycol nanofluids of 2 vol.% at 70 °C compared to water and ethylene glycol base fluids at 10 °C, respectively. Results of the ANN approach are in good agreement with experimental results, and H–C model gives better predictions compared to other standard models. The study gives clear insights into improved heat transfer performance by material engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Elastic strain engineering of lattice thermal conductivity of silicon: An ab-initio study

Silicon (Si) is the most essential material in the semiconductor industry. It is important to manage the thermal properties of crystalline Si. Elastic strain engineering (ESE) has proven to be an effective tool in controlling the electrical conductivity of Si in strained-silicon technology; its effects on the thermal conductivity of silicon, therefore, warrants careful investigation. The ESE effect is much more pronounced for nanostructured materials due to the ultralarge elastic strains (on the order of 10%) achievable at the nanoscale. In this work, the lattice thermal conductivity (κ L ) of Si under hydrostatic, biaxial, and uniaxial strain states is studied with ab-initio simulations, and the values of strain-dependent κ L compare well with experimental results and existing molecular dynamics simulations. To understand the mechanisms of strain-modulated κ L , the phonon bands, scattering rate, and Grüneisen parameters of phonon modes are computed. It is shown that strain can significantly change the anharmonicity of the crystal system, thus changing phonon scattering rates and κ L . Our results demonstrate that ESE can reduce silicon κ L by up to approximately 90%. Furthermore, uniaxial and biaxial strains can induce highly anisotropic thermal conductivity in Si, with relative variations up to 58.5% and 14.5%, respectively.

Anisotropy in Thermal Conductivity↗
DOE OSTI2018

Correlation of Structure and Fast Ion Conductivity in the Solid Solution Series Li 1+2 x Zn 1– x PS 4

Solid electrolytes are the foundation of all-solid-state batteries (ASSB) and have the potential to provide improved safety and higher energy density than existing liquid battery systems. In the important search for new lithium ion conductors with fast ionic conductivity and good mechanical properties, thiophosphates are a particularly promising class of materials. The first experimental elucidation of new lithium ion conductors in the Li 1+2x Zn 1-x PS 4 (LZPS) solid solution whose existence had been predicted by theory is reported in this paper. Using neutron and synchrotron x-ray powder diffraction together with electrical impedance, and Raman studies, we resolve their crystalline nature and correlate this with ionic conductivity upon increasing the lithium/zinc ratio. We demonstrate that the materials exhibit high experimental ionic conductivities - up to 8 × 10 -4 S·cm -1 - and show the nature of likely pathways for lithium ion conduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Influence of Side-Chain Chemistry on Structure and Ionic Conduction Characteristics of Polythiophene Derivatives: A Computational and Experimental Study

Although extensive efforts have been devoted to understanding electronic transport in conjugated polymers, little is known about their ionic conduction characteristics in relation to polymer chemistry, processing, and morphology. This work presents a combined computational and experimental study on morphology and ion transport in thin-film blends of polythiophene derivatives bearing oligoethylene glycol side-chains and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI). Using molecular dynamics (MD) simulation, we show that in the amorphous phase, the polythiophene derivative P3MEET bearing oligoethylene glycol side-chains with oxygen directly attached to the thiophene rings possesses lower Li + ionic conductivity compared to its analog P3MEEMT that has a methyl spacer between the oxygen and the thiophene rings. Structural characterization of P3MEET and P3MEEMT thin film upon blending with LiTFSI indicates that adding LiTFSI expands the side-chain domains of the polymer crystallites and reduces the total degree of crystallinity at the same time. Moreover, LiTFSI is found to infiltrate both the amorphous and crystalline regimes at low concentrations but preferably resides in the amorphous domain at high LiTFSI concentrations. Ionic transport measured by electrochemical impedance spectroscopy in both P3MEET- and P3MEEMT-LiTFSI thin films is found to occur predominately in the amorphous domain, and ionic conductivity in P3MEEMT-LiTFSI is always higher than in P3MEET-LiTFSI samples, consistent with predictions from MD simulations. As a result, our work provides a platform to predict and study the influence of polymer chemistry on the ionic conductivity of conjugated polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionic Conductivity Enhancement of Polymer Electrolytes by Directed Crystallization

Here, we report that hot stretching of poly(ethylene oxide) (PEO)-based solid polymer electrolytes (SPEs) can lead to a preferred orientation of PEO crystalline lamellae, thereby reducing the tortuosity of the ion-conduction pathway along the thickness direction of the SPE film, causing improved ionic conductivity. The hot stretching method is implemented by stretching SPE films above the melting point of PEO in an inert environment followed by crystallization at room temperature while maintaining the applied strain. The effect of hot stretching on the crystalline orientation, crystallinity, morphology, and ion transport in PEO with two types of salts, lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and lithium triflate (LiCF3SO3), is investigated in detail. Wide-angle X-ray scattering (WAXS) and small-angle X-ray scattering (SAXS) show that the orientation of PEO crystalline lamellae induces the formation of a short ion-conduction pathway along the through-plane direction of the SPE films, leading to 1.4- to 3.5-fold enhancement in the through-plane ionic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Temperature dependent behavior of thermal conductivity of sub-5 nm Ir film: Defect-electron scattering quantified by residual thermal resistivity

By studying the temperature-dependent behavior (300 K down to 43 K) of electron thermal conductivity (κ) in a 3.2 nm-thin Ir film, we quantify the extremely confined defect-electron scatterings and isolate the intrinsic phonon-electron scattering that is shared by the bulk Ir. At low temperatures below 50 K, κ of the film has almost two orders of magnitude reduction from that of bulk Ir. The film has ∂κ/∂T > 0, while the bulk Ir has ∂κ/∂T < 0. We introduce a unified thermal resistivity (Θ = T/κ) to interpret these completely different κ ∼ T relations. It is found that the film and the bulk Ir share a very similar Θ ∼ T trend, while they have a different residual part (Θ{sub 0}) at 0 K limit: Θ{sub 0} ∼ 0 for the bulk Ir, and Θ{sub 0} = 5.5 m·K{sup 2}/W for the film. The Ir film and the bulk Ir have very close ∂Θ/∂T (75–290 K): 6.33 × 10{sup −3} m K/W for the film and 7.62 × 10{sup −3} m K/W for the bulk Ir. This strongly confirms the similar phonon-electron scattering in them. Therefore, the residual thermal resistivity provides an unprecedented way to quantitatively evaluating defect-electron scattering (Θ{sub 0}) in heat conduction. Moreover, the interfacial thermal conductance across the grain boundaries is found larger than that of Al/Cu interface, and its value is proportional to temperature, largely due to the electron's specific heat. A unified interfacial thermal conductance is also defined and firmly proves this relation. Additionally, the electron reflection coefficient is found to be large (88%) and almost temperature independent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of the light spectrum of various substrates for inkjet printed conductive structures sintered with intense pulsed light

In this work, the novel method of intense pulsed light (IPL) sintering of a nanoparticle silver ink is presented. Various patterns are printed with the Inkjet technology on two flexible foils with different light spectra. One is a clear Polyethylenterephthalat [PET] foil and the second is a light brownish Polyimide [PI] foil. The samples are flashed with different parameters regarding to pulse intensity and pulse length. Microscopic images are indicating the impact of the flashing parameters and the different light spectra of the substrates on the sintered structures. Sheet and line resistance are measured and the conductivity is calculated. A high influence of the property of the substrate with respect to light absorption and thermal conductivity on the functionality of printed conductive structures could be presented. With this new method of IPL sintering, highly conductive inkjet printed silver patterns could be manufactured within milliseconds on flexible polymeric foils without damaging the substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Suppressed thermal conductivity of ultrathin carbon nanotube(2, 1) upon hydrogenation

Non-equilibrium molecular dynamic simulations reveal that the thermal conductivity of ultrathin carbon nanotube (CNT)(2, 1) is significantly suppressed upon hydrogenation. The addition of hydrogen atoms to two-coordinated carbon atoms lowers the participation ratios of phonon modes, thus indicating that the spatial distribution of phonons becomes localized. Furthermore, the phonon lifetimes are remarkably shortened in hydrogenated CNT(2, 1) (HCNT(2, 1)) compared with those of bare CNT(2, 1). The lowered participation ratios and lifetimes of phonon modes are responsible for the significant reduction of thermal conductivity in HCNT(2, 1). Our study is also helpful for understanding the weakened thermal transport abilities in carbon polymers, namely, the cross links formed between individual polymer chains will hinder the thermal conduction along polymers, even though the single straight carbon polymer has a high and divergent thermal conductivity.

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

3ω techniques for measurement of volumetric heat capacity and anisotropic thermal conductivity of a solution processable, hybrid organic/inorganic film, Te-PEDOT:PSS

We report that measuring the thermal properties of anisotropic films of hybrid materials poses a challenge to existing metrology techniques. We have developed a new approach for measuring the volumetric heat capacity and anisotropic thermal conductivity of these systems using the 3ω method. While there exist many avenues for measuring the thermal properties of thin films, most carry with them difficult requirements such as smooth surfaces or advanced lithography. Here, we present measurements of a film's in-plane and cross-plane conductance and its volumetric heat capacity using relatively simple sample configurations, each requiring a single heater. For the measurement of volumetric heat capacity, we present a new model fitting method, relying on a standard film-on-substrate configuration. For the measurement of in-plane thermal conductance by 3ω, we have developed the use of an embedded micro-wire heater in suspended drop cast films, allowing for a 12 μm wide heater without the need for advanced lithography. We also expose the surprisingly significant effect of thermal radiation in the suspended film measurement and its associated error. Our measurements reveal a large anisotropy in the thermal conductivity of our test material, Te-PEDOT:PSS, of k in-plane / k cross-plane = 19, consistent with the nanoscale morphology of the material.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electrical breakdown dynamics in an argon bubble submerged in conductive liquid for nanosecond pulsed discharges

Abstract This study delves into the dynamics of cold atmospheric plasma and their interaction within conductive solutions under the unique conditions of nanosecond pulsed discharges (22 kV peak voltage, 10 ns FWHM, 4.5 kV ns −1 rate-of-rise). The research focuses on the electrical response, breakdown, and discharge propagation in an argon bubble, submerged in a NaCl solution of varying conductivity. Full or partial discharges were observed at conductivities of 1.5 µ S cm −1 (deionized water) to 1.6 mS cm −1 , but no breakdown was observed at 11.0 mS cm −1 when reducing the electrode gap. It is demonstrated that at higher conductivity electric breakdown is observed only when the gas bubble comes into direct contact with the electrode and multiple emission nodes were observed at different timescales. These nodes expanded in the central region of the bubble over timescales longer than the initial high-voltage pulse. This work offers a temporal resolution of 2 ns exposure times over the first 30 ns of the initial voltage pulse, and insight into plasma formation over decaying reflected voltage oscillations over 200 ns.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Origin of Intrinsically Low Thermal Conductivity in a Garnet-Type Solid Electrolyte: Linking Lattice and Ionic Dynamics with Thermal Transport

Understanding thermal transport in solid electrolytes is essential for improving the performance, reliability, and safety of all-solid-state batteries. Garnet-type lithium-ion conductors are promising candidates for solid electrolytes, yet their thermal-transport mechanisms remain poorly understood. Here, we connect the lattice and ion dynamics of single-crystal garnet-type Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 to its intrinsically low thermal conductivity. Our study reveals that the single crystals grown by the floating-zone method exhibit remarkably low glasslike thermal conductivity. Using first-principles calculations and inelastic-neutron-scattering measurements, we identify both the acoustic and numerous optical phonon modes, which stem from the complex crystal structure of the material. Notably, a low-energy optical branch exhibits an avoided crossing with acoustic phonons near 7 meV. These optical modes can enhance the scattering of heat-carrying acoustic phonons and reduce thermal conductivity. Furthermore, the calculated Grüneisen parameters are large, especially for the vibrational modes around 6 meV, indicating strong anharmonicity, with a noticeable contribution from lithium-ion vibrations. A two-channel thermal-transport model is employed to describe the weak temperature dependence of the thermal conductivity, which can be attributed to the substantial contribution of diffuson transport facilitated by the abundance of optical phonons and intrinsic anharmonicity. These results offer valuable insights into the thermal transport in a broad class of ionic conductors of interest for energy conversion and storage applications.

Ab initio calculations↗
DOE OSTI2025

Time-domain theory of transient heat conduction in the local limit

Ultrafast and nanoscale heat conduction demands a unified theoretical framework that rigorously bridges macroscopic transport equations with microscopic material properties derived from statistical physics. Existing empirical generalizations of Fourier's law often lack a solid microscopic foundation, failing to connect observed non-Fourier behavior with underlying atomic-scale mechanisms. In this work, we present a time-domain theory of transient heat conduction rooted in Zwanzig's statistical theory of irreversible processes. Central to this framework is the time-domain transport function $\overleftrightarrow{𝑍}$⁡(𝑡) defined through equilibrium time-correlation functions of heat fluxes. This function generalizes the conventional concept of steady-state thermal conductivity, governing the transition of conduction dynamics from onset second sound type wave propagation at finite speeds to diffusion-dominated behavior across broad temporal and spatial scales. Unlike phonon hydrodynamic models that rely on mesoscopic constructs such as phonon drift velocity, our approach provides a quantitative and microscopic description of intrinsic memory effects in transient heat fluxes and applies universally to bulk materials at any temperature or length scale. By integrating atomistic-scale first-principles calculations with continuum-level macroscopic equations, this framework offers a robust foundation for numerical simulations of transient temperature fields. Furthermore, it facilitates the interpretation and design of transient thermal grating experiments using nanometer-scale heat sources and ultrafast laser systems in the extreme ultraviolet and x-ray wavelength ranges, advancing our understanding of heat dissipation dynamics.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Theory of thermal conductivity in the disordered electron liquid

We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from the fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

A Highly Hydroxide Conductive, Chemically Stable Anion Exchange Membrane, Poly(2,6 dimethyl 1,4 phenylene oxide)- b -Poly(vinyl benzyl trimethyl ammonium), for Electrochemical Applications

A chemically stable copolymer [poly(2,6 dimethyl 1,4 phenylene oxide)-b-poly(vinyl benzyl trimethyl ammonium)] with two ion exchange capacities, 3.2 and 2.9 meq g-1, was prepared as anion exchange membranes (AEM-3.2 and AEM-2.9). These materials showed high OH- conductivities of 138 mS.cm-1 and 106 mS.cm-1, for AEM-3.2 and AEM-2.9 respectively, at 60°C, and 95% RH. The OH- conductivity = 45 mS.cm-1 for AEM-3.2 at 60% RH and 60°C in the absence of CO2. Amongst the ions studied, only OH- is fully dissociated at high RH. The lower Ea = 10–13 kJ.mol-1 for OH- compared to F- ~ 20 kJ.mol-1 in conductivity measurements, and of H2O from self-diffusion coefficients suggests the presence of a Grotthuss hopping transport mechanism in OH- transport. PGSE-NMR of H2O and F- show that the membranes have low tortuosity, 1.8 and 1.2, and high water self-diffusion coefficients, 0.66 and 0.26 × 10-5 cm2.s-1, for AEM-3.2 and AEM-2.9 respectively. SAXS and TEM show that the membrane has several different sized water environments, ca. 62 nm, 20 nm, and 3.5 nm. The low water uptake, λ = 9–12, reduced swelling, and high OH- conductivity, with no chemical degradation over two weeks, suggests that the membrane is a strong candidate for electrochemical applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

PIC simulations of the effect of velocity space instabilities on electron viscosity and thermal conduction

In low-collisionality plasmas, velocity-space instabilities are a key mechanism providing an effective collisionality for the plasma. We use particle-in-cell (PIC) simulations to study the interplay between electron- and ion-scale velocity-space instabilities and their effect on electron pressure anisotropy, viscous heating, and thermal conduction. The adiabatic invariance of the magnetic moment in low-collisionality plasmas leads to pressure anisotropy, Δp{sub j}≡p{sub ⊥,j}−p{sub ∥,j}>0, if the magnetic field B is amplified (p{sub ⊥,j} and p{sub ∥,j} denote the pressure of species j (electron, ion) perpendicular and parallel to B). If the resulting anisotropy is large enough, it can in turn trigger small-scale plasma instabilities. Our PIC simulations explore the nonlinear regime of the mirror, IC, and electron whistler instabilities, through continuous amplification of the magnetic field |B| by an imposed shear in the plasma. In the regime 1≲β{sub j}≲20 (β{sub j}≡8πp{sub j}/|B|{sup 2}), the saturated electron pressure anisotropy, Δp{sub e}/p{sub ∥,e}, is determined mainly by the (electron-lengthscale) whistler marginal stability condition, with a modest factor of ∼1.5–2 decrease due to the trapping of electrons into ion-lengthscale mirrors. We explicitly calculate the mean free path of the electrons and ions along the mean magnetic field and provide a simple physical prescription for the mean free path and thermal conductivity in low-collisionality β {sub j} ≳ 1 plasmas. Our results imply that velocity-space instabilities likely decrease the thermal conductivity of plasma in the outer parts of massive, hot, galaxy clusters. We also discuss the implications of our results for electron heating and thermal conduction in low-collisionality accretion flows onto black holes, including Sgr A* in the Galactic Center.

79 ASTRONOMY AND ASTROPHYSICS↗