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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mixed higher-order anisotropic flow and nonlinear response coefficients of charged particles in $\mathrm {PbPb}$ collisions at $\sqrt{\smash [b]{s_{_{\mathrm {NN}}}}} = 2.76$ and 5.02$\,\text {TeV}$

Anisotropies in the initial energy density distribution of the quark-gluon plasma created in high energy heavy ion collisions lead to anisotropies in the azimuthal distributions of the final-state particles known as collective anisotropic flow. Fourier harmonic decomposition is used to quantify these anisotropies. The higher-order harmonics can be induced by the same order anisotropies (linear response) or by the combined influence of several lower order anisotropies (nonlinear response) in the initial state. The mixed higher-order anisotropic flow and nonlinear response coefficients of charged particles are measured as functions of transverse momentum and centrality in $\mathrm {PbPb}$ collisions at nucleon-nucleon center-of-mass energies $\sqrt{\smash [b]{s_{_{\mathrm {NN}}}}} = 2.76$ and 5.02$\,\text {TeV}$ with the CMS detector. The results are compared with viscous hydrodynamic calculations using several different initial conditions, as well as microscopic transport model calculations. None of the models provides a simultaneous description of the mixed higher-order flow harmonics and nonlinear response coefficients.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Kinetics and transport of hydrogen in graphite at high temperature and the effects of oxidation, irradiation and isotopics

The kinetics of uptake and desorption impact the performance of graphite as a vector for tritium in high-temperature fission reactors and in the blanket of fusion reactors. Graphite components in these reactors are exposed to temperatures > 500 °C and H 2 partial pressures of few Pa and desorption temperatures are limited to < 1600 °C; limited data is available at these conditions. Here we review the mechanisms for uptake in, transport and desorption of hydrogen from graphite at high temperature, compiling data on uptake rates, diffusion coefficients and activation energies and providing a discussion of the impact of irradiation, pre-oxidation and isotope. At FHR conditions, trapping impacts uptake rates, leading to a reduction in apparent diffusivity by 35 to 80% compared to higher partial-pressure uptake. Timelines for desorption are not clearly defined; extrapolating from available data, at 1150 °C desorbing 80% of tritium uptaken at FHR conditions may take from 100 to 10,000 h.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Tuning Thermal Stability through Dopant Size in Chemically Doped DPP–Thiophene Polymers

Molecular doping of conjugated polymers (CPs) is a key strategy for improving the performance of organic electronics devices, particularly thermoelectrics. Doped donor–acceptor (D–A) conjugated polymers, characterized by a tunable energy gap between the Fermi level and the transport band, show great promise in achieving high electrical conductivity (σ) while preserving a favorable Seebeck coefficient (S). Despite the promising performance enhancement of chemically doped D–A polymers, their thermal stability remains largely underexplored, a crucial consideration for the long-term operation of organic thermoelectric devices. In this study, we investigated the dopant size-dependent thermal stability of a diketopyrrolopyrrole-thiophene (DPP-T) D–A copolymer, utilizing two p-dopants: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F 4 TCNQ) and Mo(tfd-CO 2 Me) 3 . Temperature-dependent UV–vis–NIR spectroscopy revealed that DPP-T/F 4 TCNQ is more prone to dedoping under a high temperature thermal stress than DPP-T/Mo(tfd-CO 2 Me) 3 . Although the F 4 TCNQ doped polymer shows higher initial in-plane conductivity than its Mo(tfd-CO 2 Me) 3 counterpart, it undergoes a conductivity loss of more than an order of magnitude after annealing at 120 °C for 30 min. In contrast, the in-plane conductivity of DPP-T/Mo(tfd-CO 2 Me) 3 remains stable under the same thermal conditions. Thermogravimetric analysis ruled out dopant sublimation as a primary contributor to dedoping, leading us to attribute the conductivity loss in F 4 TCNQ-doped DPP-T to dopant phase separation and migration. This observation was further confirmed by X-ray scattering studies and nanoscale infrared microscopy and spectroscopy studies. This work could provide further insights into the thermal stability of doped conjugated polymers and suggests that incorporating bulkier dopants is an effective strategy to enhance the thermal robustness of doped DPP-type systems.

Conjugated polymers↗
DOE OSTI2024

Non-Fermi liquid behaviour in a correlated flat-band pyrochlore lattice

Electronic correlation effects are manifested in quantum materials when either the on-site Coulomb repulsion is large or the electron kinetic energy is small. The former is the dominant effect in cuprate superconductors and heavy-fermion systems whereas it is the latter in twisted bilayer graphene and geometrically frustrated metals. However, the simultaneous cooperation of both effects in the same quantum material remains rare. The design aim is to produce correlated topological flat bands pinned at the Fermi level. Here, we observe a flat band at the Fermi level in a 3d pyrochlore metal CuV 2 S 4 . Our angle-resolved photoemission spectroscopy data reveal that destructive quantum interference associated with the V pyrochlore sublattice and further renormalization to the Fermi level by electron interactions induce this flat band. Consequently, we discover transport signatures that evidence a deviation from Fermi liquid behaviour as well as an enhanced Sommerfeld coefficient. Our work illustrates the combined cooperation of local Coulomb interactions and geometric frustration in a pyrochlore lattice system to induce correlated topology by constructing and pinning correlated flat bands near the Fermi level.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis and structural characterization of the new Zintl phases Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12

Two new ternary compounds, Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12 , were synthesized and structurally characterized. The synthesis was achieved either through reactions in sealed niobium tubes or in alumina crucibles by combining the elements in excess molten Sb. Their structures were elucidated using single-crystal X-ray diffraction, and they were determined to crystallize in the orthorhombic space group Cmmm (no. 65) with the Eu 10 Cd 6 Bi 12 structure type. Akin to the archetype phase, both Mn and Zn sites contain about 25% of vacancies. Furthermore, the anionic substructure of the title phases can be described as [M 6 Pn 12 ] (M = Zn, Mn; Pn = Sb, Bi) double layers composed of the corner and edge-sharing [MPn 4 ] tetrahedra, linked by [Pn 2 ] 4– dumbbells. Eu 2+ /Yb 2+ cations fill the space between the layers, with the valence electron counts adhering closely to the Zintl–Klemm rules, i.e., both Eu 10 Mn 6 Bi 12 and Yb 10 Zn 6 Sb 12 are expected to be valence-precise compounds. Analysis of the electronic structure and transport properties of Yb 10 Zn 6 Sb 12 indicate semimetallic behavior with relatively low Seebeck coefficient and resistivity that slightly decreases as a function of temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Resistive drift wave turbulence and anomalous transport of multi-species plasma

Anomalous transport of multi-species plasma is considered with the generalized Hasegawa–Wakatani model. It is shown that the transport of all plasma species is described by fractional diffusion equations with the same effective diffusion coefficient. Strongly enhanced perturbations of heavy impurity density are found in long-living plasma flow vortices.

Physics↗
DOE OSTI2023

Experimental Measurements of Ion Diffusion Coefficients and Heating in a Multi-Ion-Species Plasma Shock

Collisional plasma shocks generated from supersonic flows are an important feature in many astrophysical and laboratory high-energy-density plasmas. Compared to single-ion-species plasma shocks, plasma shock fronts with multiple ion species contain additional structure, including interspecies ion separation driven by gradients in species concentration, temperature, pressure, and electric potential. We present time-resolved density and temperature measurements of two ion species in collisional plasma shocks produced by head-on merging of supersonic plasma jets, allowing determination of the ion diffusion coefficients. Here our results provide the first experimental validation of the fundamental inter-ion-species transport theory. The temperature separation, a higher-order effect reported here, is valuable for advancements in modeling HED and ICF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1992

Pressure dependence of the oxygen reduction reaction at the platinum microelectrode/nafion interface - Electrode kinetics and mass transport

The investigation of oxygen reduction kinetics at the platinum/Nafion interface is of great importance in the advancement of proton-exchange-membrane (PEM) fuel-cell technology. This study focuses on the dependence of the oxygen reduction kinetics on oxygen pressure. Conventional Tafel analysis of the data shows that the reaction order with respect to oxygen is unity at both high and low current densities. Chronoamperometric measurements of the transport parameters for oxygen in Nafion show that oxygen dissolution follows Henry's isotherm. The diffusion coefficient of oxygen is invariant with pressure; however, the diffusion coefficient for oxygen is lower when air is used as the equilibrating gas as compared to when oxygen is used for equilibration. These results are of value in understanding the influence of O2 partial pressure on the performance of PEM fuel cells and also in elucidating the mechanism of oxygen reduction at the platinum/Nafion interface.

Parthasarathy, Arvind↗
NASA NTRS1992

Activated transport in AMTEC electrodes

Transport of alkali, metal atoms through porous cathodes of alkali metal thermal-to-electric converter (AMTEC) cells is responsible for significant reducible losses in the electrical performance of these cells. Experimental evidence for activated transport of metal atoms at grain surfaces and boundaries within some AMTEC electrodes has been derived from temperature dependent studies as well as from analysis of the detailed frequency dependence of ac impedance results for other electrodes, including thin, mature molybdenum electrodes which exhibit transport dominated by free molecular flow of sodium gas at low frequencies or dc conditions. Activated surface transport will almost always exist in parallel with free molecular flow transport, and the process of alkali atom adsorption/desorption from the electrode surface will invariably be part of the transport process, and possibly a dominant part in some cases. The temperature dependence of the diffusion coefficient of the alkali metal through the electrode in several cases provides an activation energy and preexponential, but at least two activated processes may be operative, and the activation parameters should be expected to depend on the alkali metal activity gradient that the electrode experiences. In the case of Pt/W/Mn electrodes operated for 2500 hours, limiting currents varied with electrode thickness, and the activation parameters could be assigned primarily to the surface/grain boundary diffusion process.

Williams, R. M.↗
NASA NTRS2005

Progress Towards Computational Method for Circulation Control Airfoils

The compressible Reynolds-averaged Navier-Stokes equations are solved for circulation control airfoil flows. Numerical solutions are computed with both structured and unstructured grid solvers. Several turbulence models are considered, including the Spalart-Allmaras model with and without curvature corrections, the shear stress transport model of Menter, and the k-enstrophy model. Circulation control flows with jet momentum coefficients of 0.03, 0.10, and 0.226 are considered. Comparisons are made between computed and experimental pressure distributions, velocity profiles, Reynolds stress profiles, and streamline patterns. Including curvature effects yields the closest agreement with the measured data.

Swanson, R. C.↗
NASA NTRS1989

The effect of dispersion upon charged particle transport in random magnetic fields

Shortly after a strongly anisotropic beam is injected along a guiding magnetic field on which is superposed a small random component, the charged-particle density can be represented by a Gaussian profile whose center moves with the coherent velocity and whose width increases with time at a rate controlled by the coefficient of dispersion. Both parameters of this coherent mode of propagation depend upon the mean free path, which characterizes scattering by the random fields, and the focusing length, which characterizes spatial variations of the guiding field. These dependences are known explicitly for the coherent velocity, but expressions for the coefficient of dispersion are available only in the limits of very weak and very strong focusing. To span this gap, a more comprehensive analytic description of focused transport has been developed. This description includes dispersion and is valid for arbitrary spatial dependences of both the scattering mean free path and the focusing length.

Earl, James A.↗
NASA NTRS1986

Knudsen diffusion - The effect of small pore size and low gas pressure on gaseous transport in soil

The analytical principles and applications of the theory of Knudsen diffusion are reviewed, with emphasis on gas transport in the soils of planetary bodies. Knudsen diffusion occurs when the mean free path of diffusing gas molecules surpasses the size of the pores through which diffusion proceeds. The process is then dominated by collisions with the pore walls. Computational techniques for deriving the Knudsen coefficient for soils with a nonreentrant cross-section shape are reviewed, along with methods of deriving a coefficient for soils which permit both Knudsen and bulk diffusion. Sample calculations for three pore-size distributions are provided to illustrate the decrease in transport efficiency with increasingly smaller soil pore sizes.

Clifford, S. M.↗
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↗
NASA NTRS2018

Radiative Heating of Large Meteoroids During Atmospheric Entry

A high-fidelity approach for simulating the aerothermodynamic environments of meteor entries was developed, which allows the commonly assumed heat transfer coefficient of 0.1 to be assessed. This model uses chemically reacting computational fluid dynamics (CFD), coupled with radiation transport and surface ablation. Coupled radiation accounts for the impact of radiation on the flowfield energy equations, while coupled ablation explicitly models the injection of ablation products within the flowfield and radiation simulations. For a meteoroid with a velocity of 20 km/s, coupled radiation is shown to reduce the stagnation point radiative heating by over 60%. The impact of coupled ablation (with coupled radiation) is shown to provide at least a 70% reduction in the radiative heating relative to cases with only coupled radiation. This large reduction is partially the result of the low ionization energies of meteoric ablation products relative to air species. The low ionization energies of ablation products, such as Mg and Ca, provide strong photoionization and atomic line absorption in regions of the spectrum that air species do not. MgO and CaO are also shown to provide significant absorption. Turbulence is shown to impact the distribution of ablation products through the shock-layer, which results in up to a 100% increase in the radiative heating downstream of the stagnation point. To create a database of heat transfer coefficients, the developed model was applied to a range of cases. This database considered velocities ranging from 14 to 20 km/s, altitudes ranging from 20 to 50 km, and nose radii ranging from 1 to 100 m. The heat transfer coefficients from these simulations are below 0.045 for the range of cases, for both laminar and turbulent, which is significantly lower than the canonical value of 0:1. When the new heat transfer model is applied to a Tunguska-like 15 Mt entry, the effect of the new model is to lower the height of burst by up to 2 km, depending on assumed entry angle. This, in turn, results in a significantly larger ground damage footprint than when the canonical heating assumption is used.

Christopher O Johnston↗
DOE OSTI2021

Microstructure and water absorption of ancient concrete from Pompeii: An integrated synchrotron microtomography and neutron radiography characterization

There is renewed interest in using advanced techniques to characterize ancient Roman concrete due to its exceptional durability and low-carbon footprint. In the present work, samples were drilled from the “Hospitium” in Pompeii and were analyzed by synchrotron microtomography (μCT) and neutron radiography to study how the microstructure, including the presence of induced cracks, affects their water adsorption. The water distribution and absorptivity were quantified by neutron radiography. The 3D crack propagation, pore size distribution and orientation, tortuosity, and connectivity were analyzed from μCT results using advanced imaging methods. Porosity was also measured by mercury intrusion porosimetry (MIP) as a reference. Ductile fracture patterns were observed once cracks were introduced. Compared to Portland cement mortar/concrete, the Pompeii samples had relatively high porosity, low connectivity, and a similar coefficient of capillary penetration. In addition, permeability was predicted from models based on percolation theory and pore structure data to evaluate the fluid transport properties. Understanding the microstructure of ancient Pompeii concrete is important because it could inspire the development of modern concrete with high durability.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Utilization of STRAT Data

One of the goals of the STRAT mission was to improve our understanding of transport in the stratosphere. We have used our coupled 2-D model to analyse transport between the tropics and midlatitudes using aircraft measurements of (CO2) and (N2O) made during the SPADE and ASHOE/MAESA campaigns (Boering et al. 1994) for model validation. We have further used the model to estimate errors in the experimental determination of the age of stratospheric air that arise from nonlinear increases of real tracers such as (CO2) and (SF6). The interpretation of measurements made during STRAT is still in progress. Most of the work performed under this contract has been described in the second year progress report, submitted in April of 1996. In the following, the research is summarized and some additional work that has become relevant in the meantime is described. We have developed an interactive model of the dynamics, chemistry and radiation of the stratosphere with partial support from this contract. The dynamics module integrates the primitive equations on a sphere. Lower boundary zonal winds and eddy geopotential heights are specified from observations. Chemistry and tracer transport are done in two dimensions. The chemistry model is a family model. Long lived species are transported and short lived species are determined in intervals of 5 to 10 days by assuming photochemical steady state. Full diurnal integrations with the fast species are performed periodically and diurnal coefficients, derived from the explicit integration are used to determine the steady state solution. Heating rates in the stratosphere are calculated from model ozone and the model temperatures and circulation fields are used in the chemistry transport module.

Source record↗
NASA NTRS1991

Transport methods and interactions for space radiations

A review of the program in space radiation protection at the Langley Research Center is given. The relevant Boltzmann equations are given with a discussion of approximation procedures for space applications. The interaction coefficients are related to solution of the many-body Schroedinger equation with nuclear and electromagnetic forces. Various solution techniques are discussed to obtain relevant interaction cross sections with extensive comparison with experiments. Solution techniques for the Boltzmann equations are discussed in detail. Transport computer code validation is discussed through analytical benchmarking, comparison with other codes, comparison with laboratory experiments and measurements in space. Applications to lunar and Mars missions are discussed.

Wilson, John W.↗