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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Gold-Tin Solder Wetting Behavior for Package Lid Seals

This study examined the cause of nonwetted regions of the gold (Au) finish on iron-nickel (Fe–Ni) alloy lids that seal ceramic packages using the 80Au-20Sn solder (wt %, abbreviated Au–Sn) and their impact on the final lid-to-ceramic frame solder joint. The Auger electron spectroscopy (AES) surface and depth profile techniques identified surface and through-thickness contaminants in the Au metallization layer. In one case, the AES analysis identified background levels of carbon (C) contamination on the surface; however, the depth profile detected Fe and Ni contaminants that originated from the plating process. The Fe and Ni could impede the completion of wetting and spreading to the edge of the Au metallization. The Au layer of lids not exposed to a Au–Sn solder reflow step had significant surface and through-thickness C contamination. Inorganic contaminants were absent. Subsequent simulated reflow processes removed the C contamination from the Au layer without driving Ni diffusion from the underlying solderable layer. Finally, an Au metallization having negligible C contamination developed elevated C levels after exposure to a simulated reflow process due to C contamination diffusing into it from the underlying Ni layer. However, the second reflow step removed that contamination from the Au layer, thereby allowing the metallization to support the formation of lid-to-ceramic frame Au–Sn joints without risk to their mechanical strength or hermeticity.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Beyond fragmented dopant dynamics in quantum spin lattices: Robust localization and non-Gaussian diffusion

The motion of dopants in magnetic spin lattices has received tremendous attention for at least four decades due to its connection to high-temperature superconductivity. Despite these efforts, we lack a complete understanding of their behavior, especially out of the equilibrium and at nonzero temperatures. In this paper, we take a significant step towards a much deeper understanding based on state-of-the-art matrix-product-state calculations. In particular, we investigate the nonequilibrium dynamics of a dopant in two-leg 𝑡−𝐽 ladders with antiferromagnetic XXZ spin interactions. In the Ising limit, we find that the dopant is localized for all investigated nonzero temperatures due to an emergent disordered potential, with a localization length controlled by the underlying correlation length of the spin lattice, which increases exponentially with decreasing temperature. The dopant, hereby, only delocalizes asymptotically in the zero temperature limit. This greatly generalizes the localization effect discovered recently in Hilbert space fragmented models [Phys. Rev. Res. 6, 023325 (2024), SciPost Phys. Core 7, 054 (2024)]. In the presence of spin-exchange processes at rate 𝛼, the dopant diffuses with a diffusion coefficient, 𝐷 ℎ , depending nonmonotonically on 𝛼. It initially increases linearly as 𝐷 ℎ ∝ 𝛼 for 𝛼 ≪ 1 before dropping off as 𝛼 −1 for 𝛼 > 1. Moreover, we show that the underlying spin dynamics at infinite temperature behaves qualitatively the same, albeit with important quantitative differences. We substantiate these findings by showing that the dynamics features self-similar scaling behavior, which strongly deviates from the Gaussian behavior of regular diffusion, especially for weak spin exchange. Finally, we show that the diffusion coefficient 𝐷 ℎ follows an Arrhenius relation at high temperatures, whereby it is exponentially suppressed upon cooling.

Anomalous diffusion↗
DOE OSTI2021

Strong Local Evaporative Cooling Over Land Due to Atmospheric Aerosols

Abstract Aerosols can enhance terrestrial productivity through increased absorption of solar radiation by the shaded portion of the plant canopy—the diffuse radiation fertilization effect. Although this process can, in principle, alter surface evaporation due to the coupling between plant water loss and carbon uptake, with the potential to change the surface temperature, aerosol‐climate interactions have been traditionally viewed in light of the radiative effects within the atmosphere. Here, we develop a modeling framework that combines global atmosphere and land model simulations with a conceptual diagnostic tool to investigate these interactions from a surface energy budget perspective. Aerosols increase the terrestrial evaporative fraction, or the portion of net incoming energy consumed by evaporation, by over 4% globally and as much as ∼40% regionally. The main mechanism for this is the increase in energy allocation from sensible to latent heat due to global dimming (reduction in global shortwave radiation) and slightly augmented by diffuse radiation fertilization. In regions with moderately dense vegetation (leaf area index >2), the local surface cooling response to aerosols is dominated by this evaporative pathway, not the reduction in incident radiation. Diffuse radiation fertilization alone has a stronger impact on gross primary productivity (+2.18 Pg C y −1 or +1.8%) than on land evaporation (+0.18 W m −2 or +0.48%) and surface temperature (−0.01 K). Our results suggest that it is important for land surface models to distinguish between quantity (change in total magnitude) and quality (change in diffuse fraction) of radiative forcing for properly simulating surface climate.

Chakraborty, TC↗
DOE OSTI2017

A computational study of yttria-stabilized zirconia: I. Using crystal chemistry to search for the ground state on a glassy energy landscape

Yttria-stabilized zirconia (YSZ), a ZrO 2 -Y 2 O 3 solid solution that contains a large population of oxygen vacancies, is widely used in energy and industrial applications. Past computational studies correctly predicted the anion diffusivity but not the cation diffusivity, which is important for material processing and stability. One of the challenges lies in identifying a plausible configuration akin to the ground state in a glassy landscape. This is unlikely to come from random sampling of even a very large sample space, but the odds are much improved by incorporating packing preferences revealed by a modest sized configurational library established from empirical potential calculations. Ab initio calculations corroborated these preferences, which prove remarkably robust extending to the fifth cation-oxygen shell about 8 Å away. Yet because of frustration there are still rampant violations of packing preferences and charge neutrality in the ground state, and the approach toward it bears a close analogy to glass relaxations. Fast relaxations proceed by fast oxygen movement around cations, while slow relaxations require slow cation diffusion. The latter is necessarily cooperative because of strong coupling imposed by the long-range packing preferences.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Laser process and corresponding structures for fabrication of solar cells with shunt prevention dielectric

Contact holes of solar cells are formed by laser ablation to accommodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thicknesses.

14 SOLAR ENERGY↗
DOE OSTI2018

A New Photocatalyst Bismuth Oxo Citrate: Synthesis, Characterization, and Photocatalytic Performance

A new photocatalyst bismuth oxo citrate was synthesized by facile precipitation process with calcination at 200 8C. The photocatalyst was characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), Fouriertransform infrared (FTIR) spectroscopy, N2 sorptometry, and elemental analysis. Morphologically, it is composed of polyhedral particles with different, irregular shapes and sizes. The specific surface area (SSA) of the photocatalyst was 8.92 m2 g-1. It showed very good photocatalytic performance and reusability. Total decolorization of Reactive Blue 19 (RB19) was achieved in less than 10 minutes, which is much faster in comparison with TiO{sub 2} P25. Also, bismuth oxo citrate showed higher photocatalytic activity than other photocatalysts based on bismuth compounds reported by other authors. Optimal photocatalysis parameters were pH 2 and photocatalyst dose of 250 mg dm-3. The decolorization rate was found to decrease as initial dye concentration increased. The photocatalytic data best fitted to L-H kinetic model with pseudo-first order reaction rate. Chrastil diffusion model showed that diffusion has not influence on the process. Water Environ. Res., 90, 719 (2018). © 2018 Water Environment Federation.

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

Charging of a conducting sphere in a weakly ionized collisional plasma: Temporal dynamics and stationary state

We consider the interaction of a isolated conducting sphere with a collisional weakly ionized plasma in an external field. We assume that the plasma consists of two species of ions neglecting of electrons. We take into account charging of the sphere due to sedimentation of plasma ions on it, the field of the sphere charge and the space charge, as well as recombination and molecular diffusion. The nonstationary problem of interaction of the sphere with the surrounding plasma is solved numerically. The temporal dynamics of the sphere charge and plasma perturbations is analyzed, as well as the properties of the stationary state. It is shown that the duration of transient period is determined by the recombination time and by the reverse conductivity of ions. The temporal dynamics of the sphere charge and plasma perturbations is determined by the intensity of recombination processes relative to the influence of the space charge field and diffusion. The stationary absolute value of the sphere charge increases linearly with the external electric field, decreases with the relative intensity of recombination processes and increases in the presence of substantial diffusion. The scales of the perturbed region in the plasma are determined by the radius of the sphere, the external field, the effect of diffusion, and the relative intensity of recombination processes. In the limiting case of the absence of molecular diffusion and a strong external field, the properties of the stationary state coincide with those obtained earlier as a result of approximate solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Plasma filamentation and shock wave enhancement in microwave rockets by combining low-frequency microwaves with external magnetic field

A filamentary plasma is reproduced based on a fully kinetic model of electron and ion transports coupled with electromagnetic wave propagation. The discharge plasma transits from discrete to diffusive patterns at a 110-GHz breakdown, with decrease in the ambient pressure, because of the rapid electron diffusion that occurs during an increase in the propagation speed of the ionization front. A discrete plasma is obtained at low pressures when a low-frequency microwave is irradiated because the ionization process becomes more dominant than the electron diffusion, when the electrons are effectively heated by the low-frequency microwave. The propagation speed of the plasma increases with decrease in the incident microwave frequency because of the higher ionization frequency and faster plasma diffusion resulting from the increase in the energy-absorption rate. An external magnetic field is applied to the breakdown volume, which induces plasma filamentation at lower pressures because the electron diffusion is suppressed by the magnetic field. The thrust performance of a microwave rocket is improved by the magnetic fields corresponding to the electron cyclotron resonance (ECR) and its higher-harmonic heating, because slower propagation of the ionization front and larger energy-absorption rates are obtained at lower pressures. It would be advantageous if the fundamental mode of ECR heating is coupled with a lower frequency microwave instead of combining the higher-harmonic ECR heating with the higher frequency microwave. This can improve the thrust performance with smaller magnetic fields even if the propagation speed increases because of the decrease in the incident microwave frequency.

42 ENGINEERING↗
DOE OSTI2023

Can we observe the ion-neutral drift velocity in prestellar cores?

Given the low-ionization fraction of molecular clouds, ambipolar diffusion is thought to be an integral process in star formation. However, chemical and radiative-transfer effects, observational challenges, and the fact that the ion-neutral drift velocity is inherently very small render a definite detection of ambipolar diffusion extremely non-trivial. Here, we study the ion-neutral drift velocity in a suite of chemodynamical, non-ideal magnetohydrodynamic (MHD), two-dimensional axisymmetric simulations of prestellar cores where we alter the temperature, cosmic-ray ionization rate, visual extinction, mass-to-flux ratio, and chemical evolution. Subsequently, we perform a number of non-local thermodynamic equilibrium (non-LTE) radiative-transfer calculations considering various idealized and non-idealized scenarios in order to assess which factor (chemistry, radiative transfer, and/or observational difficulties) is the most challenging to overcome in our efforts to detect the ion-neutral drift velocity. We find that temperature has a significant effect in the amplitude of the drift velocity with the coldest modelled cores (T = 6 K) exhibiting drift velocities comparable to the sound speed. Against expectations, we find that in idealized scenarios (where two species are perfectly chemically co-evolving) the drift velocity ‘survives’ radiative-transfer effects and can in principle be observed. However, we find that observational challenges and chemical effects can significantly hinder our view of the ion-neutral drift velocity. Finally, we propose that HCN and HCNH + ⁠, being chemically co-evolving, could be used in future observational studies aiming to measure the ion-neutral drift velocity.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1971

Alloyed coatings for dispersion strengthened alloys

Processing techniques were developed for applying several diffusion barriers to TD-Ni and TD-NiCr. Barrier coated specimens of both substrates were clad with Ni-Cr-Al and Fe-Cr-Al alloys and diffusion annealed in argon. Measurement of the aluminum distribution after annealing showed that, of the readily applicable diffusion barriers, a slurry applied tungsten barrier most effectively inhibited the diffusion of aluminum from the Ni-Cr-Al clad into the TD-alloy substrates. No barrier effectively limited interdiffusion of the Fe-Cr-Al clad with the substrates. A duplex process was then developed for applying Ni-Cr-Al coating compositions to the tungsten barrier coated substrates. A Ni-(16 to 32)Cr-3Si modifier was applied by slurry spraying and firing in vacuum, and was then aluminized by a fusion slurry process. Cyclic oxidation tests at 2300 F resulted in early coating failure due to inadequate edge coverage and areas of coating porosity. EMP analysis showed that oxidation had consumed 70 to 80 percent of the aluminum in the coating in less than 50 hours.

Wermuth, F. R.↗
DOE OSTI2015

Fast internal dynamics in alcohol dehydrogenase

Large-scale domain motions in alcohol dehydrogenase (ADH) have been observed previously by neutron spin-echo spectroscopy (NSE). We have extended the investigation on the dynamics of ADH in solution by using high-resolution neutron time-of-flight (TOF) and neutron backscattering (BS) spectroscopy in the incoherent scattering range. The observed hydrogen dynamics were interpreted in terms of three mobility classes, which allowed a simultaneous description of the measured TOF and BS spectra. In addition to the slow global protein diffusion and domain motions observed by NSE, a fast internal process could be identified. Around one third of the protons in ADH participate in the fast localized diffusive motion. The diffusion coefficient of the fast internal motions is around two third of the value of the surrounding D{sub 2}O solvent. It is tempting to associate the fast internal process with solvent exposed amino acid residues with dangling side chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

U 3 Si 2 and UO 2 composites densified by spark plasma sintering for accident-tolerant fuels

This work reports the synthesis and characterization of the U 3 Si 2 and UO 2 composites sintered by spark plasma sintering (SPS) with controlled microstructures for accident-tolerant fuel application. The U 3 Si 2 and UO 2 composites with different silicide and oxide ratios were synthesized by SPS at temperatures from 1000 to 1300 °C for 5 minutes. The microstructure and phase composition of the SPS densified composite fuels were characterized with scanning electron microscopy, X-ray diffraction (XRD), and energy dispersed spectroscopy (EDS). A systematic study of the thermal and mechanical properties was conducted using microhardness testing and laser flash apparatus, along with oxidation resistance measurements using thermogravimetric analysis (TGA). The results show that the synthesis of composite fuels can be achieved with a 90% theoretical density (TD) at 1000 °C and over 95% TD when sintered at 1300 °C. XRD and EDS results confirmed that the dominant phases in the composites are U 3 Si 2 and UO 2 . Improved physical density generally leads to improved hardness, fracture toughness, thermal diffusivity, and onset temperature during the oxidation process. U 3 Si 2 was found to play a dominant role in determining the mechanical and oxidation properties of the composite fuels, whereas UO 2 had a more important impact on controlling the thermal diffusivity of the composites. The composite with 50 wt% UO 2 sintered at 1300 °C displayed the onset oxidation temperature of 500 °C by dynamic oxidation testing using TGA at a ramp degree of 10 °C/min. The composite also achieved a high fracture toughness of ~3.5 MPa m ½ . Finally, these results highlight the potential of composite fuel forms densified by SPS with simultaneously enhanced fissile element density, fracture toughness, thermal transport properties, and oxidation resistance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1982

Dissipation of ionospheric irregularities by wave-particle and collisional interactions

The nonlinear dissipation of plasma irregularities aligned parallel to an ambient magnetic field is studied numerically using a model which employs both wave-particle and collisional diffusion. A wave-particle diffusion coefficient derived from a local theory of the universal drift instability is used. This coefficient is effective in regions of nonzero plasma gradients and produces triangular-shaped irregularities with spectra which vary as f to the -4th, where f is the spatial frequency. Collisional diffusion acts rapidly on the vertices of the irregularities to reduce their amplitude. The simultaneous action of the two dissipative processes is more efficient than collisions acting alone. In this model, wave-particle diffusion mimics the forward cascade process of wave-wave coupling.

Bernhardt, P. A.↗
NASA NTRS2011

The Roles of Transport and Wave-Particle Interactions on Radiation Belt Dynamics

Particle fluxes in the radiation belts can vary dramatically during geomagnetic active periods. Transport and wave-particle interactions are believed to be the two main types of mechanisms that control the radiation belt dynamics. Major transport processes include substorm dipolarization and injection, radial diffusion, convection, adiabatic acceleration and deceleration, and magnetopause shadowing. Energetic electrons and ions are also subjected to pitch-angle and energy diffusion when interact with plasma waves in the radiation belts. Important wave modes include whistler mode chorus waves, plasmaspheric hiss, electromagnetic ion cyclotron waves, and magnetosonic waves. We investigate the relative roles of transport and wave associated processes in radiation belt variations. Energetic electron fluxes during several storms are simulated using our Radiation Belt Environment (RBE) model. The model includes important transport and wave processes such as substorm dipolarization in global MHD fields, chorus waves, and plasmaspheric hiss. We discuss the effects of these competing processes at different phases of the storms and validate the results by comparison with satellite and ground-based observations. Keywords: Radiation Belts, Space Weather, Wave-Particle Interaction, Storm and Substorm

Fok, Mei-Ching↗
DOE OSTI2016

Evaluation of Bentonite Engineered Barrier Performance under Repository Conditions

Nuclear energy has been an important source of power throughout the world for several decades, but with that power comes substantial amounts of waste. The USA alone is projected to produce 77,100 MTHM (34,700 MCi) of commercial spent fuel by the year 2020. There has been a growing sense of urgency to determine a method of disposal for all types of nuclear waste. Underground storage has been proposed as the safest means of long term storage and disposal by both the Academy of Sciences and the Blue Ribbon Commission with a focus on deep geologic disposal. Because deep geological repositories (DGR) pose as the safest method of disposal due to the isolation of the waste and the low-permeability of the surrounding material, it is crucial to understand the science behind these repositories. Many scientists have concern with DGRs because of all the unanswered scientific questions. With a global inventory of 300,000 MTHM, it is imperative to understand how DGRs will retain the nuclear waste over a time span of up to a projected 1 million years. Because of the amount of nuclear waste increases each year, there is an inherent need to study the viability of a repository in order to begin implementation of that repository. Based on the half-lives of each radionuclide in nuclear waste, after approximately 100 years of storage, the heat production from the decay of radionuclides becomes dominated by the long-lived actinides. Because the decay of the nuclear waste results in an elevated temperature within the canister, That mixed with water intrusion can corrode the canister and allow radionuclides to leach into the surrounding environment. In an effort to retain these radionuclides within the repositories, most all deep geologic repository designs incorporate an engineered multi-barrier approach. Once the radionuclides begin to leach out of the canisters, the next barrier to retain them is a layer of compacted clay such as a smectite. A mechanistic understanding of mobility at elevated temperatures is crucial in order to evaluate the performance of the engineered clay barrier system within a deep geological repository. Because the clay barrier is compacted so tightly, the only method of mobility for radionuclides is through molecular diffusion. Assessing the factors that affect the rates at which various radionuclides will diffuse through these clays is important in the performance assessment of the repository system as a whole. Neptunium-237 has been identified as a major actinide of concern for long term storage, dominating the radioactivity emitted from the waste between 10,000 to 100,000 years of storage. Under oxidizing conditions, this radionuclide exists mainly as Np(V). In this oxidation state, the neptunium exists chemically as the NpO{sub 2}{sup +} ion which exhibits enhanced mobility characteristics such as high solubility and low affinity for sorption to surfaces. Because of this, {sup 237}Np(V) has been identified as the most mobile radionuclide in nuclear waste and thus a major radionuclide of concern, motivating research into the mobility of {sup 237}Np(V) through the compacted clay barrier. Bentonite is one of the most common backfill materials used in repositories. This clayey rock's main constituent is the mineral Na-montmorillonite [(Ca{sub 0.06}Na{sub 0.14}K{sub 0.05})(Al{sub 1.57}Fe{sup 3+} {sub 0.17}Mg{sub 0.25})(Al{sub 0.04}Si{sub 3.96}O{sub 10} - (OH){sub 2})] which gives this material the advantageous properties required for a repository such as a high swelling capacity. Because of this high affinity for absorbing water, montmorillonite is the ideal candidate for backfill material in a deep geological repository. Adsorption of radionuclides onto the surface of the compacted clay is a major mechanism for retardation of mobility. Because diffusion and adsorption are integrated into this process, it is important to characterize Np adsorption onto the surface of compacted montmorillonite. Previous studies have quantified the adsorption of Np onto montmorillonite at variable ionic strengths and temperatures. Furthermore, several studies have focused on the diffusion of Np through compacted clay, but no other studies have determined diffusion coefficients at elevated temperatures of up to 80 deg. C. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1974

The electron diffusion coefficient in Jupiter's magnetosphere

A steady-state model of Jupiter's electron radiation belt is developed. The model includes injection from the solar wind, radial diffusion, energy degradation by synchrotron radiation, and absorption at Jupiter's surface. A diffusion coefficient of the form D sub RR/R sub J squared = k times R to the m-th power is assumed, and then observed data on synchrotron radiation are used to fit the model. The free parameters determined from this fit are m = 1.95 plus or minus 0.5, k = 1.7 plus or minus 0.5 x 10 to the 9th power per sec, and the magnetic moment of injected particles equals 770 plus or minus 300 MeV/G. The value of m shows quite clearly that the diffusion is not caused by magnetic pumping by a variable solar wind or by a fluctuating convection electric field. The process might be field line exchange driven by atmospheric-ionospheric winds; our diffusion coefficient has roughly the same radial dependence but is considerably smaller in magnitude than the upper bound diffusion coefficients recently suggested for this process by Brice and McDonough (1973) and Jacques and Davis (1972).

Birmingham, T.↗
DOE OSTI2022

Solidification and grain formation in alloys: a 2D application of the grand-potential-based phase-field approach

Solidification is a significant step in the forming of crystalline structures during various manufacturing and material processing techniques. Solidification characteristics and the microstructures formed during the process dictate the properties and performance of the materials. Hence, understanding how the process conditions relate to various microstructure formations is paramount. In this work, a grand-potential-based multi-phase, multi-component, multi-order-parameter phase-field model is used to demonstrate the solidification of alloys in 2D. This model has several key advantages over other multi-phase models such as it decouples the bulk energy from the interfacial energy, removes the constraints for the phase concentration variable, and prevents spurious third-phase formation at the two phase interfaces. Here, the model is implemented in a finite-element-based phase-field modeling code. The role of various modeling parameters in governing the solidification rate and the shape of the solidified structure is evaluated. It is demonstrated that the process conditions such as temperature gradient, thermal diffusion, cooling rate, etc, influence the solidification characteristics by altering the level of undercooling. Furthermore, the capability of the model to capture directional solidification and polycrystalline structure formation exhibiting various grain shapes is illustrated. In both these cases, the process conditions have been related to the growth rate and associated shape of the dendritic structure. As a result, this work serves as a stepping stone towards resolving the larger problem of understanding the process–structure–property–performance correlation in solidified materials.

36 MATERIALS SCIENCE↗