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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 19 records

Thermal transport in compensated semimetals: Effect of electron-electron scattering on Lorenz ratio

It is well known that the electronic thermal conductivity of clean compensated semimetals can be greatly enhanced over the electric conductivity by the availability of an ambipolar mechanism of conduction, whereby electrons and holes flow in the same direction experiencing negligible Coulomb scattering as well as negligible impurity scattering. This enhancement—resulting in a breakdown of the Wiedemann-Franz law with an anomalously large Lorenz ratio—has been recently observed in two-dimensional monolayer and bilayer graphene near the charge neutrality point. In contrast to this, three-dimensional compensated semimetals such as WP 2 and Sb are typically found to show a reduced Lorenz ratio. Here, we investigate the reasons for this difference, focusing on the low-temperature regime where the electron-electron scattering is expected to dominate over other scattering mechanisms. We show that the different regimes of Fermi statistics (nondegenerate electron-hole liquid in graphene versus degenerate electron-hole liquid in compensated semimetals) are not sufficient to explain the reduction of the Lorenz ratio in the latter. We propose that the solution of the puzzle lies in the large separation of electron and hole pockets in momentum space, which allows compensated semimetals to sustain sizable regions of electron-hole accumulation near the contacts. These accumulations suppress the ambipolar conduction mechanism and effectively split the system into two independent electron and hole conductors. We present a quantitative theory of the crossover from ambipolar to unipolar conduction as a function of the size of the electron-hole accumulation regions, and show that it naturally leads to a sample-size-dependent thermal conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Tunable electron–flexural phonon interaction in graphene heterostructures

Peculiar electron-phonon interaction characteristics underpin the ultrahigh mobility, electron hydrodynamics, superconductivity, and superfluidity observed in graphene heterostructures. Here, the Lorenz ratio (L) between the electronic thermal conductivity and the product of the electrical conductivity and temperature provides unique insight into electron-phonon interactions that is inaccessible to past graphene measurements. Here we show an unusual L peak in degenerate graphene near 60 Kelvin and decreased peak magnitude with increased mobility. When combined with ab initio calculations of the many-body electron-phonon self-energy and analytical models, this experimental observation reveals that broken reflection symmetry in graphene heterostructures can relax a restrictive selection rule to allow quasielastic electron coupling with an odd number of flexural phonons, contributing to the increase of L toward the Sommerfeld limit at an intermediate temperature sandwiched between the low-temperature hydrodynamic regime and the inelastic electron-phonon scattering regime above 120 Kelvin. In contrast to past practices of neglecting flexural phonon contributions to transport in two-dimensional materials, this work suggests that tunable electron-flexural phonon coupling can provide a handle to control quantum matter at the atomic scale, such as magic angle twisted bilayer graphene where low-energy excitations may mediate Cooper pairing of flat-band electrons.

36 MATERIALS SCIENCE↗

Thermal conductivity, electrical resistivity, and thermopower of aerospace alloys from 4 to 300 K. 6: Fe-22Cr-13Ni-5Mn stainless steel

The equipment and techniques for determining the thermal conductivity, electrical resistivity Lorenz ratio, and thermopower characteristics of Fe-22Cr-13Ni-5Mn stainless steel are discussed. The dimensions of the specimen and its preparation are described. The experimental data are represented by arbitrary functions over the entire range and smooth tables are generated from these functions.

Hust, J. G.↗

Thermal conductivity, electrical resistivity, and thermopower of aerospace alloys from 4 to 300 K.

Measurement of thermal conductivity, electrical resistivity, and thermopower for several aerospace alloys: titanium alloy A110-AT, aluminum alloy 7039, Inconel 718, and Hastelloy X. Tables and graphs of the measured properties and Lorenz ratio are presented over the range from 4 to 300 K. Comparisons to other measurements and theoretical analysis of the data are included. The uncertainties of the property data are estimated as 0.7 to 2.5% for thermal conductivity, 0.25% in electrical resistivity, and about 0.1 microvolt/K in thermopower.

Hust, J. G.↗

Thermal conductivity of thermoelectric Si(0.8)-Ge(0.2) alloys

The thermal conductivity of heavily doped, n-type Si-Ge alloys has been studied from 300 to 1200 K. The scattering rate of several phonon scattering mechanisms has been calculated, including intrinsic scattering, mass defect and distortion scattering, phonon-electron scattering, and scattering by inclusions. These rates were then used to calculate the lattice thermal conductivity. The electronic component of the thermal conductivity was calculated from the calculated Lorenz ratio and measured values of the electrical conductivity. The total thermal conductivity was then compared to measured values for a specimen studied by Vining et al. (1991).

White, D. P.↗

High-throughput phase-field simulations and machine learning of resistive switching in resistive random-access memory

Metal oxide-based Resistive Random-Access Memory (RRAM) exhibits multiple resistance states, arising from the activation/deactivation of a conductive filament (CF) inside a switching layer. Understanding CF formation kinetics is critical to achieving optimal functionality of RRAM. Here a phase-field model is developed, based on materials properties determined by ab initio calculations, to investigate the role of electrical bias, heat transport and defect-induced Vegard strain in the resistive switching behavior, using MO 2- x systems such as HfO 2- x as a prototypical model system. It successfully captures the CF formation and resultant bipolar resistive switching characteristics. High-throughput simulations are performed for RRAMs with different material parameters to establish a dataset, based on which a compressed-sensing machine learning is conducted to derive interpretable analytical models for device performance (current on/off ratio and switching time) metrics in terms of key material parameters (electrical and thermal conductivities, Vegard strain coefficients). These analytical models reveal that optimal performance (i.e., high current on/off ratio and low switching time) can be achieved in materials with a low Lorenz number, a fundamental material constant. This work provides a fundamental understanding to the resistive switching in RRAM and demonstrates a computational data-driven methodology of materials selection for improved RRAM performance, which can also be applied to other electro-thermo-mechanical systems.

36 MATERIALS SCIENCE↗

Determination of Atmospheric Aerosol Characteristics from the Polarization of Scattered Radiation

Aerosols affect the polarization of radiation in scattering, hence measured polarization can be used to infer the nature of the particles. Size distribution, particle shape, real and absorption parts of the complex refractive index affect the scattering. From Lorenz-Mie calculations of the 4-Stokes parameters as a function of scattering angle for various wavelengths the following polarization parameters were plotted: total intensity, intensity of polarization in plane of observation, intensity perpendicular to the plane of observation, polarization ratio, polarization (using all 4-Stokes parameters), plane of the polarization ellipse and its ellipticity. A six-component log-Gaussian size distribution model was used to study the effects of the nature of the polarization due to variations in the size distribution and complex refractive index. Though a rigorous inversion from measurements of scattering to detailed specification of aerosol characteristics is not possible, considerable information about the nature of the aerosols can be obtained. Only single scattering from aerosols was used in this paper. Also, the background due to Rayleigh gas scattering, the reduction of effects as a result of multiple scattering and polarization effects of possible ground background (airborne platforms) were not included.

Harris, F. S., Jr.↗

Thermo-hydrologic processes in maar eruptions: The role of vapor transport and condensation

Phreatomagmatic eruptions occur when magma interacts directly with water or slurries, commonly from groundwater in the shallow crust, resulting in rapid conversion of thermal energy to mechanical energy in a set of processes known as molten fuel-coolant interaction (MFCI). The efficiency of MFCI is controlled by properties of the magma and coolant, contact surface geometry, and system conditions, such as pressure and temperature; phreatomagmatic behavior can range from passive thermal granulation to violent thermohydraulic explosions (Zimanowski et al., 2015). Maar-diatreme eruptions, characterized by repetitive phreatomagmatic explosions, can form in a wide range of near-surface environments, from soft sediment substrate (e.g., Tecuitlapa, Mexico, Ort and Carrasco-Núñez, 2009; Hopi Buttes, AZ, Lefebvre et al., 2013) to hard, fractured country rock (e.g., West Eifel volcanic field, Germany and Massif Central, France, Lorenz, 2003). Country-rock structure, including faults and joints, rock type, and shallow crustal hydrologic properties, can influence an eruption’s behavior by controlling how much and at what rate water can be supplied to the magma (hydraulic flow rate), and determining the sediment: water ratio in the case of soft-sediment substrate eruptions. In a “soft” substrate environment, volcanic tremor can lead to liquefaction of saturated sediment, producing a slurry that may then interact with magma in unique ways (White, 1996; Auer, et al., 2006).

58 GEOSCIENCES↗

Eddy heat fluxes and stability of planetary waves. I, II

The stability of baroclinic Rossby waves in a zonal shear flow was analyzed by a linear, quasigeostrophic, two-level, adiabatic, and frictionless midlatitude beta-plane model. The ratio of the basic wave scale and the radius of deformation together with two nondimensional parameters which describe the amplitudes of the barotropic and baroclinic components of the basic wave constitute the three parameters of the stability problem. The parameter space is partitioned according to the dominant energy source for instability; the Lorenz and Kim conditions are characterized by significant horizontal and vertical shears of the basic wave, while the Phillips regime has a strong zonal flow. The stability analysis is then applied to the atmosphere, with the primary motivation being to examine the midlatitude planetary scale (zonal wavenumbers 1, 2, 3) transient waves that transport heat. It is found that the most unstable mode consists of a spectrum of waves, with a maximum amplitude at wavenumber 3; the response is thus maximum at a zonal scale intermediate between the basic wave scale and the radius of deformation.

Lin, C. A.↗

Morphology-Dependent Resonances of Spherical Droplets with Numerous Microscopic Inclusions

We use the recently extended superposition T-matrix method to study the behavior of a sharp Lorenz-Mie resonance upon filling a spherical micrometer-sized droplet with tens and hundreds of randomly positioned microscopic inclusions. We show that as the number of inclusions increases, the extinction cross-section peak and the sharp asymmetry-parameter minimum become suppressed, widen, and move toward smaller droplet size parameters, while ratios of diagonal elements of the scattering matrix exhibit sharp angular features indicative of a distinctly nonspherical particle. Our results highlight the limitedness of the concept of an effective refractive index of an inhomogeneous spherical particle.

resonance↗

Ultrathin Microporous Transport Layers: Implications for Low Catalyst Loadings, Thin Membranes, and High Current Density Operation for Proton Exchange Membrane Electrolysis

Porous transport layers (PTL) and their surface properties have the potential to improve the performance of proton exchange membrane water electrolyzers (PEMWE), which is imperative to reduce feedstock costs and lead to their widespread implementation. This work introduces a novel generation of titanium microporous layers (MPLs) with ultra-low thicknesses of approx. 20 um which reduces raw material costs. They also feature advanced interfacial properties tailored to maximize catalyst utilization at low Ir-loadings. The bulk morphology and surface properties of the hierarchically structured PTLs are assessed by X-ray tomographic microscopy. The low surface roughness of the MPL allows the use of thinner membranes since it minimizes possible deformations in the membrane. Cells containing the MPLs outperformed those containing state-of-the-art commercially available PTL materials by up to 100 mV at 7 A cm-2 in combination with low-loaded catalyst-coated membranes of 0.4 mgIr cm-2. Hydrogen crossover is also reduced, especially at low current densities, leading to a larger turndown ratio which can enable more cost-effective operating strategies. Finally, these rationally designed MPLs also lead to high catalyst utilization by overcoming the naturally occurring high in-plane resistance of low-loaded catalyst layers.

hydrogen crossover↗

Helium Ion Microscopy with Secondary Ion Mass Spectrometry for Nanoscale Chemical Imaging and Analysis of Polyolefins

To date, chemical imaging of polymers and polymer blends has been primarily accomplished using time-of-flight secondary ion mass spectrometry (ToF-SIMS) to directly visualize the distribution of components in a complex material with spatial resolution ranging from 100 nm to 5 μm. However, in many cases, this resolution falls far short of visualizing interfaces directly. To overcome these limitations, recent work has focused on developing a SIMS detection system based on a helium ion microscope (HIM) enabling chemical imaging with a demonstrated ~14 nm spatial resolution. Here, we utilize HIM-SIMS for differentiation between the olefin-based polymers of polyethylene (PE) and polypropylene (PP). We illustrate both analyses for separating PE and PP using specific mass fragment ratios as well as demonstrate spatially resolved imaging of phase-separated domains within PE. Altogether, we demonstrate the abilities of HIM-SIMS as a multimodal chemical technique for imaging and quantification of polyolefin interfaces, which could be more broadly applied to the analysis of more complex polymeric systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Titan In-situ Resource Utilization (ISRU) Sample Return (TISR)

Titan is unique in the outer solar system in that it is the only moon with a thick atmosphere, and the only body in the solar system outside the Earth with liquid seas on its surface. The Titanian oceans, however, are seas of liquid hydrocarbons, and the rocks on the surface are solid water ice. Like other icy Moons of the outer solar system, beneath the ice crust, Titan also has a subsurface ocean. Rodriguez et al. refer to it as the “world with two oceans”, an organic-rich body with interior-surface-atmosphere interactions that are comparable in complexity to the Earth. [1] Titan is scientifically fascinating in many ways [2], [3], [4]. The Compass Team will emphasize just one here: Titan is a high priority target for astrobiology [4] [5] [6] [7] [8] [9] [10] [11]. It is a world with a surface and atmosphere rich in the complex organic compounds known as tholins. A detailed understanding of the nature of these complex compounds will require an analysis using a full laboratory on Earth. Because of its value to understanding the organic compounds of the outer solar system which may be the primordial building-blocks of life, return of samples from Titan to laboratories on Earth will be the primary goal of this mission. While this would give unprecedented science return, returning even a small sample from Titan using conventional technology would be tremendously difficult. Saturn is almost a billion miles from the Earth, about thirteen times farther than Mars. A return mission to Saturn requires such a large total-mission ∆V that, with conventional technology, the mass ratios required are prohibitive. Such a sample return would truly be “mission incredible.” But to date, a sample return mission from so distant a target has been assumed to be, not merely incredible, but mission impossible. The Compass Team has proposed [2] [12] that by manufacturing the propellant for the return to Earth using the resources available on Titan, such a mission becomes possible. The task of this report is to show that it is reasonable with credible space technology.

Titan↗

Look-up Table for Lidar and Polarimeter Liquid Water Cloud Studies

- Combined lidar and polarimeter retrievals of aerosol, cloud and ocean microphysical properties involve single scattering cloud calculations that are time consuming. - We create a look-up table to speed up calculations for water droplets in the atmosphere. The gained increase in computational efficiency is up to 10^(4). - In our new Lorenz-Mie look-up table we tabulate the light scattering by an ensemble of homogeneous isotropic spheres at wavelengths starting from 0.35 µm. - The look-up table covers liquid water cloud particles with radii in the range of 0.001—500 µm. - The covered complex refractive indices range from 1.25 to 1.36 for the real part and from 0 to 0.001 for the imaginary part. - Using look-up table, we can precisely compute inherent optical properties for the particle size distributions ranging up to 100 µm for the effective radius and up to 0.6 for the effective variance. - We test wavelengths from 0.35 to 2.3 µm and find that the P12 element of the normalized scattering matrix is precise to within 1% for 96.7% of cases; the absorption and backscatter coefficients, and lidar ratio are precise to within 1% for 99% of cases; the P11 , P33 and P34 elements of the normalized scattering matrix, the asymmetry parameter, the extinction and scattering coefficients are precise to within 1% for all cases. - We provide an example of using the look-up table with in situ measurements to determine agreement with remote sensing. - The look-up table along with examples of its use soon will be freely available at https://science.larc.nasa.gov/polarimetry

Eduard Chemyakin↗

An Antibody Cocktail-Based Immunoaffinity-LC-MS Method Enabled Ultra-Sensitive and Robust Quantification of Circulating Proinsulin Proteoforms and C-Peptide

Accurately measuring circulating proinsulin proteoforms is crucial for clinical investigation of diabetes, but was previously not feasible owing to limited assay specificity/sensitivity. Here, in this study, we devised a highly sensitive LC-MS-based strategy to quantify intact proinsulin, des-31,32 and des-64,65 proinsulin, and C-peptide in circulation. The method involves: (i) quantitative, robust affinity capture using an optimized antibody cocktail, eliminating the severe quantitative bias across multiple proteoforms typically introduced when using a single antibody; (ii) Lys-C digestion producing unique signature peptides for each proteoform, and (iii) trapping-nano-LC coupled with FAIMS/dCV-MS for an ultrasensitive analysis. The selective trapping/delivery ensured sensitive/selective analysis of the targets while achieving excellent analytical robustness that is critical for clinical assays, and the FAIMS/dCV substantially reduces baseline noise/interferences, further enhancing S/N. The assay achieved exceptional sensitivity, with serum LOQs of 1.7, 2.3, and 3.6 pg/mL respectively for intact-proinsulin, des-31,32 and des-64,65, representing the first assay capable of sensitively quantifying these major circulating proinsulin proteoforms. We applied this assay to 78 subjects, including autoantibody positive (n = 20) and new-onset type 1 diabetes (T1D, n = 19) with respective age/sex/BMI-matched controls, enabling the first accurate profiling of proinsulin proteoforms in clinical groups. The assay results demonstrated a clear separation of control and new-onset T1D groups that a parallel total-proinsulin ELISA assay fails to capture. Furthermore, distinct expression patterns in relative abundance ratios among proteoforms were observed across clinical groups. This assay may provide valuable insights into the β-cell functions and the onset/progression of diabetes and other associated conditions. Moreover, the strategy is broadly applicable to targeted measurement of other biomarker proteoforms.

Shen, Qingqing [University at Buffalo, NY (United ↗

A Sensitivity Study on the Effects of Particle Chemistry, Asphericity and Size on the Mass Extinction Efficiency of Mineral Dust in the Earth's Atmosphere: From the Near to Thermal IR

To determine a plausible range of mass extinction efficiencies (MEE) of terrestrial atmospheric dust from the near to thermal IR, sensitivity analyses are performed over an extended range of dust microphysical and chemistry perturbations. The IR values are subsequently compared to those in the near-IR, to evaluate spectral relationships in their optical properties. Synthesized size distributions consistent with measurements, model particle size, while composition is defined by the refractive indices of minerals routinely observed in dust, including the widely used OPAC/Hess parameterization. Single-scattering properties of representative dust particle shapes are calculated using the T-matrix, Discrete Dipole Approximation and Lorenz-Mie light-scattering codes. For the parameterizations examined, MEE ranges from nearly zero to 1.2 square meters per gram, with the higher values associated with non-spheres composed of quartz and gypsum. At near-IR wavelengths, MEE for non-spheres generally exceeds those for spheres, while in the thermal IR, shape-induced changes in MEE strongly depend on volume median diameter (VMD) and wavelength, particularly for MEE evaluated at the mineral resonant frequencies. MEE spectral distributions appear to follow particle geometry and are evidence for shape dependency in the optical properties. It is also shown that non-spheres best reproduce the positions of prominent absorption peaks found in silicates. Generally, angular particles exhibit wider and more symmetric MEE spectral distribution patterns from 8-10 micrometers than those with smooth surfaces, likely due to their edge-effects. Lastly, MEE ratios allow for inferring dust optical properties across the visible-IR spectrum. We conclude the MEE of dust aerosol are significant for the parameter space investigated, and are a key component for remote sensing applications and the study of direct aerosol radiative effects.

Hansell, R. A., Jr.↗