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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 109 records · Page 6

Cryostatic influence of Formvar coatings on sizing of the stabilizer in superconductive NbTi-Cu - Conductor bundle effects

In continuation of single-conductor studies, quench onset data of quasi-steady operation are reported for a Formvar-coated composite (Nb48Ti/Cu) in bundle geometry (conductor thickness about 0.2 cm, approximately square cross section). Overall thermal conductances of the heater simulation technique applied are of the order 0.1 W/(sq cm-K), comparable to single-specimen results, around 4 K and below the lambda transition in agreement with model predictions. Considerable deterioration, however, occurs below 3 K and down to the lambda temperature during operation in near-saturated He I. Consequences for magnets of intermediate energy density are discussed with emphasis on the modifications necessitated by coatings.

Caspi, S.↗

Numerical Improvements in Magnetohydrodynamic, Pulsed Power Simulations of Near-Target Plasmas

Magnetohydrodynamic (MHD) simulations of pulsed power experiments frequently result in unphysical runaway heating when extended to low values of mass density. Traditionally, this has been addressed by the use of conductivity floors below which the plasma is given an arbitrarily low conductivity value. Here, a low-density treatment is presented that allows for low-density material to carry current while maintaining a stable temperature. This treatment is implemented in the Ares multiphysics code. Numerical modifications to the conventional vacuum treatment include an energy-conserving density floor, a modified averaging procedure to determine the thermal conductivity at the edge of adjacent zones, and a modified averaging procedure for determining the thermal conductivity in mixed zones that contain material from differing regions. Additionally, anomalous resistivity and Bohm diffusion models are implemented as simplified models for microphysics-induced enhancement of collisional transport. Importantly, the advantage of these various improvements are illustrated in a simple 1-D pulsed power target where the combined changes result in stable temperatures within the lower density regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Saturn Satellite Densities and the C/O Chemistry of the Solar Nebula

The composition of material condensed in the outer solar system is very dependent on the state of carbon and oxygen in the solar or circumplanetary nebula, since oxygen is the dominant solid-forming element in a solar composition gas (in the form of silicates and water ice), and carbon is about half as abundant. Past discussions of solid material formed in these regions have focused on differences expected between material formed near giant planets where carbon is generally expected to be in the reduced, CH4, form and material formed in the outer protoplanetary solar nebula where CO is believed to be the dominant form [1]. The composition and expected density of these materials are quite sensitive to the C and O solar abundances in all these models. We discuss here the effects of recently suggested modifications to solar abundances on the interpretation of the mean densities for satellites in the Saturn system.

Johnson, T. V.↗

Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets

Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.

25 ENERGY STORAGE↗

Channel and physical models of the Jovian subnebula

A semiempirical physical model of the Jovian subnebula was developed by analogy with the primitive solar nebula itself. The chemical aspects of this model are developed according to the principles developed in the study of the thermochemistry and gas kinetic behavior of the solar nebula, but with important modifications to take into account the higher pressures and densities in the Jovian subnebula. The bulk compositions and densities of the inner satellites of Jupiter are calculated. It is proposed that Europa differs from Io chiefly in that in has suffered a less severe thermal history. The general features of this model are applicable with minor modification to the systems of Saturn and Uranus.

Lewis, J. S.↗

The relationship between pressure-based and density-based algorithms

The PISO, pressure-based algorithm, is compared with implicit time-marching systems to ascertain their similarities and differences. Both methods are expressed in vector form for comparison purposes. The vector form of the PISO method is triangular, allowing an uncoupled solution procedure, while the Euler implicit method requires the simultaneous solution of all equations. Upwind differencing is performed according to the direction of the eigenvalues in both systems, but this is the particle velocity in the PISO method and the acoustic velocity in the Euler method. Vector stability calculations show that the PISO method is conditionally stable depending on the time step, but that it provides adequate damping at small time steps to enable good convergence. Unconditional stability can be provided by retaining the energy coupling terms in the time derivative. Transforming the Euler implicit equations to the PISO variables along with a modification of the time derivatives gives the density-based method the same amplification factors at low speeds as the pressure-based method without affecting their behavior at high speeds.

Merkle, Charles L.↗

Achieving complete electrooxidation of ethanol by single atomic Rh decoration of Pt nanocubes

Significance Direct ethanol fuel cells are attracting growing attention as portable power sources due to their advantages such as higher mass-energy density than hydrogen and less toxicity than methanol. However, it is challenging to achieve the complete electrooxidation to generate 12 electrons per ethanol, resulting in a low fuel utilization efficiency. This manuscript reports the complete ethanol electrooxidation by engineering efficient catalysts via single-atom modification. The combined electrochemical measurements, in situ characterization, and density functional theory calculations unravel synergistic effects of single Rh atoms and Pt nanocubes and identify reaction pathways leading to the selective C–C bond cleavage to oxidize ethanol to CO 2 . This study provides a unique single-atom approach to tune the activity and selectivity toward complicated electrocatalytic reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hypervelocity Impact Test Fragment Modeling: Modifications to the Fragment Rotation Analysis and Lightcurve Code

Hypervelocity impact tests on test satellites are performed by members of the orbital debris scientific community in order to understand and typify the on-orbit collision breakup process. By analysis of these test satellite fragments, the fragment size and mass distributions are derived and incorporated into various orbital debris models. These same fragments are currently being put to new use using emerging technologies. Digital models of these fragments are created using a laser scanner. A group of computer programs referred to as the Fragment Rotation Analysis and Lightcurve code uses these digital representations in a multitude of ways that describe, measure, and model on-orbit fragments and fragment behavior. The Dynamic Rotation subroutine generates all of the possible reflected intensities from a scanned fragment as if it were observed to rotate dynamically while in orbit about the Earth. This calls an additional subroutine that graphically displays the intensities and the resulting frequency of those intensities as a range of solar phase angles in a Probability Density Function plot. This document reports the additions and modifications to the subset of the Fragment Rotation Analysis and Lightcurve concerned with the Dynamic Rotation and Probability Density Function plotting subroutines.

Gouge, Michael F.↗

Stabilizing Metallic Na Anodes via Sodiophilicity Regulation: A Review

This review focuses on the Na wetting challenges and relevant strategies regarding stabilizing sodium-metal anodes in sodium-metal batteries (SMBs). The Na anode is the essential component of three key energy storage systems, including molten SMBs (i.e., intermediate-temperature Na-S and ZEBRA batteries), all-solid-state SMBs, and conventional SMBs using liquid electrolytes. We begin with a general description of issues encountered by different SMB systems and point out the common challenge in Na wetting. We detail the emerging strategies of improving Na wettability and stabilizing Na metal anodes for the three types of batteries, with the emphasis on discussing various types of tactics developed for SMBs using liquid electrolytes. We conclude with a discussion of the overlooked yet critical aspects (Na metal utilization, N/P ratio, critical current density, etc.) in the existing strategies for an individual battery system and propose promising areas (anolyte incorporation and catholyte modifications for lower-temperature molten SMBs, cell evaluation under practically relevant current density and areal capacity, etc.) that we believe to be the most urgent for further pursuit. Comprehensive investigations combining complementary post-mortem, in situ, and operando analyses to elucidate cell-level structure-performance relations are advocated.

25 ENERGY STORAGE↗

Computational Design of Miniproteins as SARS-CoV-2 Therapeutic Inhibitors

A rational therapeutic strategy is urgently needed for combating SARS-CoV-2 infection. Viral infection initiates when the SARS-CoV-2 receptor-binding domain (RBD) binds to the ACE2 receptor, and thus, inhibiting RBD is a promising therapeutic for blocking viral entry. In this study, the structure of lead antiviral candidate binder (LCB1), which has three alpha-helices (H1, H2, and H3), is used as a template to design and simulate several miniprotein RBD inhibitors. LCB1 undergoes two modifications: structural modification by truncation of the H3 to reduce its size, followed by single and double amino acid substitutions to enhance its binding with RBD. We use molecular dynamics (MD) simulations supported by ab initio density functional theory (DFT) calculations. Complete binding profiles of all miniproteins with RBD have been determined. The MD investigations reveal that the H3 truncation results in a small inhibitor with a -1.5 kcal/mol tighter binding to RBD than original LCB1, while the best miniprotein with higher binding affinity involves D17R or E11V + D17R mutation. DFT calculations provide atomic-scale details on the role of hydrogen bonding and partial charge distribution in stabilizing the minibinder:RBD complex. This study provides insights into general principles for designing potential therapeutics for SARS-CoV-2.

60 APPLIED LIFE SCIENCES↗

All-electron, density-functional-based method for angle-resolved tunneling ionization in the adiabatic regime

Here we develop and test a method that integrates many-electron weak-field asymptotic theory (ME-WFAT) [O. I. Tolstikhin, L. B. Madsen, and T. Morishita, Phys. Rev. A 89, 013421 (2014)] in the integral representation (IR) into the density-functional-theory (DFT) framework. In particular, we present modifications of the integral formula in the IR ME-WFAT to incorporate the potential terms unique to DFT. By solving an adiabatic rate equation for the angle-resolved ionization yield in our DFT-based ME-WFAT method, we show that the results are in excellent agreement with those of real-time time-dependent density-functional-theory (TDDFT) simulations for NO, OCS, C⁢H 3 ⁢Br, and C⁢H 3 ⁢Cl interacting with one- and two-color laser fields with a fundamental wavelength of 800 nm. This agreement is significant because the WFAT calculations take only a small fraction of the time of full TDDFT calculations. These results suggest that in the wavelength region commonly used in strong-field experiments (800 nm and longer), our DFT-based WFAT treatment can be used to rapidly screen for the ionization properties of a large number of molecules as a function of alignment or orientation between the molecule and the strong field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

High-pressure hydrogen decompression in sulfur crosslinked elastomers

High-pressure storage and cyclic (de)pressurization of hydrogen gas is known to result in degradation and failure of gas canisters, hoses, linings, and O-rings as the relatively small hydrogen molecule can readily permeate most materials. Hence, identifying material compositions that are less susceptible to hydrogen-induced damage is of significant importance to the hydrogen energy infrastructure. Here, we use classical atomistic molecular dynamics simulations to study hydrogen exposed ethylene-propylene-diene monomer (EPDM) rubber, an elastomer typically used in O-rings. We make chemical modifications to the model by adjusting the crosslink density and report on gas solubility, diffusivity, and molecular restructuring in response to rapid decompression. Our simulations indicate that increases in crosslink density can reduce volumetric expansion during decompression and result in smaller free volume pore sizes. However, these favorable properties for sealing materials come with a tradeoff. At pressure, crosslinks introduce extra free volume, providing potential sites for gas localization, the precursor to cavitation-induced failure.

08 HYDROGEN↗

Crystal structure engineering in multimetallic high-index facet nanocatalysts

Significance Crystal structure engineering in nanoparticles represents an important strategy in catalyst design, as catalytic performance is highly dependent on atomic arrangement. However, realizing crystal structure engineering in high-index facet nanocatalysts has been a synthetic challenge for decades. Here, we first employed density functional theory calculations to determine whether surface modifications can stabilize high-index facets during crystal structure transformations and then synthesized a library of multimetallic high-index facet tetrahexahedral (THH) nanoparticles with controllable crystal structures. Importantly, the crystal structural transition between the intermetallic and chemically disordered states is reversable, and the THH morphology of nanocatalysts is maintained during this transformation. This approach broadens the synthetic scope of nanocatalysts available for use in diverse chemical processes.

Shen, Bo↗

Investigation of configuration effects on entry heating distributions at Mach no. equals 8.0 (OH41A)

The results are presented of aerodynamic heating investigations conducted on 0.006 scale models of three Rockwell International Space Shuttle Vehicles (SSV) orbiter configurations in the Mach 8 variable density tunnel. It was established that lower surface modifications to one of these configurations (Model SS-H-00326-4) would alleviate premature transition. Re-entry data were acquired on these models at angles of attack from 30 to 40 degrees for nominal Reynolds numbers per foot of 1.0, 3.0, 6.0 and 8.0 million utilizing the phase change paint technique. A total of 17 orbiter heating runs and 3 orbiter oil flow runs were completed.

Gorowitz, H.↗

Abundances in the Crab Nebula

The bright visual-wavelength emission lines in spectra of filaments in the Crab Nebula cannot be used to derive unique values for the relative abundances of elements there, even under a simplifying assumption that heating is due entirely to photoionization by the Crab's nonthermal continuum. However, a range of possibilities may be estimated. By mass, helium is more abundant than hydrogen; but the mass fraction of heavier elements may be surprisingly small. Such conclusions are subject to modification if a noticeable fraction of the energy density involves fast particles around 1 MeV.

Davidson, K.↗

Evaluation of LANDSAT multispectral scanner images for mapping altered rocks in the east Tintic Mountains, Utah

The author has identified the following significant results. Positive findings of earlier evaluations of the color-ratio compositing technique for mapping limonitic altered rocks in south-central Nevada are confirmed, but important limitations in the approach used are pointed out. These limitations arise from environmental, geologic, and image processing factors. The greater vegetation density in the East Tintic Mountains required several modifications in procedures to improve the overall mapping accuracy of the CRC approach. Large format ratio images provide better internal registration of the diazo films and avoids the problems associated with magnifications required in the original procedure. Use of the Linoscan 204 color recognition scanner permits accurate consistent extraction of the green pixels representing limonitic bedrock maps that can be used for mapping at large scales as well as for small scale reconnaissance.

Rowan, L. C.↗

Electron beam injection during active experiments. II - Collisional effects

During active beam experiments, the presence of high neutral densities at low altitudes and/or during thruster firings has been observed to modify the spacecraft charging and the properties of the beam. Two-dimensional (three-velocity) electromagnetic particle simulations with ionizing collisions incorporated are used to investigate the modification of the beam-plasma interaction as the neutral density is increased. It is shown that when the spacecraft is uniformly immersed in a neutral cloud, most of the ionization is produced by direct ionization by the beam and its secondaries, rather than via vehicle-induced or wave-induced ionization for the neutral densities considered.

Winglee, R. M.↗

Optical Electronic Bragg Reflection Sensor System with Hydrodynamic Flow Applications

This project, as described in the following report, involved design and fabrication of fiber optic sensors for the detection and measurement of dynamic fluid density variations. These devices are created using UV (ultraviolet) ablation and generally modified transverse holographic fiber grating techniques. The resulting phase gratings created on or immediately underneath the flat portion of D-shaped optical waveguides are characterized as evanescent field sensing devices. The primary applications include the sensor portion of a real-time localized or distributed measurement system for hydrodynamic flow, fluid density measurements, and phase change phenomena. Several design modifications were implemented in an attempt to accomplish the tasks specified in our original proposal. In addition, we have established key collaborative relationships with numerous people and institutions.

Lyons, D. R.↗