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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

On the quality of tape-cast thin films of sulfide electrolytes for solid-state batteries

All-solid-state lithium batteries (ASSLBs) have the potential to increase energy density, improve safety, and allow for lower manufacturing costs compared to conventional, liquid-based Li-ion batteries. The thickness of solid electrolyte (SE) layer dictates the cell-level energy density and it is desirable to make the SE layer as thin as possible while maintaining uniformity and defect-free. Manufacturing a high- quality, thin sulfide SE layer at large-scale, however, is challenging. Previous studies have addressed the compatibility of materials used for manufacturing thin sulfide SE films, paving the way for further investigation of processing conditions and film quality. Here we report a strong correlation between the solid loading of dispersions and the quality of tape-casted thin sulfide SE films. We also demonstrate a method for quantifying the quality of thin SE films by observing both pin-hole defects and larger heterogeneous agglomerations of particles in the films. Our thin sulfide SE films containing ~5 wt% binder are defect-free and show similar ionic conductivity compared to a cold-pressed, binder-free, thick SE pellet, resulting in an ~11X reduction of area specific resistance. Here, this work on the solid loading of the dispersion used in a scalable tape casting process provides insight for manufacturing high-quality, thin sulfide SE films and to increase the cell-level energy density of ASSLB.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Study of a Tricarbide Grooved Ring Fuel Element for Nuclear Thermal Propulsion

Deep space exploration, especially that of Mars, is on the horizon as the next big challenge for space exploration. Nuclear propulsion, through which high thrust and efficiency can be achieved, is a promising option for decreasing the cost and logistics of such a mission. Work on nu- clear thermal engines goes back to the days of the NERVA program. Currently, nuclear thermal propulsion is under development again in various forms to provide a superior propulsion system for deep space exploration. The authors have been working to develop a concept nuclear thermal engine that uses a grooved ring fuel element as an alternative to the traditional hexagonal rod design. The authors are also studying the use of carbide fuels. The concept was developed in order to increase surface area and heat transfer to the propellant. The use of carbides would also raise the operating temperature of the reactor. It is hoped that this could lead to a higher thrust to weight nuclear thermal engine. This paper describes the modeling of neutronics, heat transfer, and fluid dynamics of this alternative nuclear fuel element geometry. Fabrication experiments of grooved rings from carbide refractory metals are also presented along with material characterization and interactions with a hot hydrogen environment. Results of experiments and associated analysis are desired densities with some success in material distribution and reaching a solid solution. Future work is needed to improve distribution of material, minimize oxidation during the milling process, and de ne a fabrication process that will serve for constructing grooved ring fuel rods for large system tests.

Taylor, Brian↗
NASA NTRS2018

Study of a Tricarbide Grooved Ring Fuel Element for Nuclear Thermal Propulsion

Deep space exploration, especially that of Mars, is on the horizon as the next big challenge for space exploration. Nuclear propulsion, through which high thrust and efficiency can be achieved, is a promising option for decreasing the cost and logistics of such a mission. Work on nuclear thermal engines goes back to the days of the NERVA program. Currently, nuclear thermal propulsion is under development again in various forms to provide a superior propulsion system for deep space exploration. The authors have been working to develop a concept nuclear thermal engine that uses a grooved ring fuel element as an alternative to the traditional hexagonal rod design. The authors are also studying the use of carbide fuels. The concept was developed in order to increase surface area and heat transfer to the propellant. The use of carbides would also raise the operating temperature of the reactor. It is hoped that this could lead to a higher thrust to weight nuclear thermal engine. This paper describes the modeling of neutronics, heat transfer, and fluid dynamics of this alternative nuclear fuel element geometry. Fabrication experiments of grooved rings from carbide refractory metals are also presented along with material characterization and interactions with a hot hydrogen environment. Results of experiments and associated analysis are discussed. The authors demonstrated success in reaching desired densities with some success in material distribution and reaching a solid solution. Future work is needed to improve distribution of material, minimize oxidation during the milling process, and define a fabrication process that will serve for constructing grooved ring fuel rods for large system tests.

Taylor, Brian↗
DOE OSTI2021

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Atomic-Level Features for Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Simulations

The high computational cost of evaluating atomic interactions recently motivated the development of computationally inexpensive kinetic models, which can be parametrized from MD simulations of complex chemistry of thousands of species or other processes and accelerate the prediction of the chemical evolution by up to four order of magnitude. Such models go beyond the commonly employed potential energy surface fitting methods in that they are aimed purely at describing kinetic effects. So far, such kinetic models utilize molecular descriptions of reactions and have been constrained to only reproduce molecules previously observed in MD simulations. Therefore, these descriptions fail to predict the reactivity of unobserved molecules, for example in the case of large molecules or solids. In this work, we propose a new approach for the extraction of reaction mechanisms and reaction rates from MD simulations, namely the use of atomic-level features. Using the complex chemical network of hydrocarbon pyrolysis as example, it is demonstrated that kinetic models built using atomic features are able to explore chemical reaction pathways never observed in the MD simulations used to parametrize them, a critical feature to describe rare events. Atomic-level features are shown to construct reaction mechanisms and estimate reaction rates of unknown molecular species from elementary atomic events. Through comparisons of the model ability to extrapolate to longer simulation timescales and different chemical compositions than the ones used for parameterization, it is demonstrated that kinetic models employing atomic features retain the same level of accuracy and transferability as the use of features based on molecular species, while being more compact and parametrized with less data. We also find that atomic features can better describe the formation of large molecules enabling the simultaneous description of small molecules and condensed phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Dispersion relation for gauge-free electromagnetic drift kinetics

Recently, a new approach to gyrokinetics, invariant under electromagnetic gauge transformations, was developed. The gyrocenter equations of motion are now expressed in terms of the perturbed fields instead of the potentials, in a form suitable for numerical simulations and analytic studies. In this paper, we verify that the long-wavelength limit, i.e., the drift-kinetic limit of the new gyrokinetic theory, is in line with existing work, providing a solid foundation for simulations. Here, we compute the dispersion relation of the new drift-kinetic theory in slab geometry and find agreement with a long-wavelength limit of the full Vlasov–Maxwell model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Assessing the quality of large-area monolayer graphene grown on liquid copper for size-selective ionic/molecular membrane separations

Monolayer graphene growth on liquid copper (Cu) has attracted attention due to advantages of a flat/smooth catalytic growth surface, high synthesis temperature (>1080 °C) as well as the possibility of forming graphene domains that are mobile on the liquid Cu with potential to minimize grain boundary defects and self-assemble into a continuous monolayer film. However, the quality of monolayer graphene grown on liquid copper and its suitability for size-selective ionic/molecular membrane separations has not been evaluated/studied. Here, we probe the quality of monolayer graphene grown on liquid Cu (via a metallurgical process, HSMG ® ) using Scanning Electron Microscope (SEM), High-resolution transmission electron microscope (HR-TEM), Raman spectroscopy and report on a facile approach to assess intrinsic sub-nanometer to nanometer-scale defects over centimeter-scale areas. We demonstrate high transfer yields of monolayer graphene (>93% coverage) from the growth substrate to polyimide track etched membrane (PITEM, pore diameter ~200 nm) supports to form centimeter-scale atomically thin membranes. Next, we use pressure-driven transport of ethanol to probe defects > 60 nm and diffusion-driven transport of analytes (KCl ~0.66 nm, L-Tryptophan ~0.7–0.9 nm, Vitamin B12 ~1–1.5 nm and Lysozyme ~3.8–4 nm) to probe nanoscale and sub-nanometer scale defects. Diffusive transport confirms the presence of intrinsic sub-nanometer to nanometer scale defects in monolayer graphene grown on liquid Cu are no less than that in high-quality graphene synthesized via chemical vapor deposition (CVD) on solid Cu. Our work not only benchmarks quality of graphene grown on liquid copper for membrane applications but also provides fundamental insights into the origin of intrinsic defects in large-area graphene synthesized via bottom-up processes for membrane applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rotational symmetry protected edge and corner states in Abelian topological phases

Spatial symmetries can enrich the topological classification of interacting quantum matter and endow systems with non-trivial strong topological invariants (protected by internal symmetries) with additional "weak" topological indices. In this paper, we study the edge physics of systems with a non-trivial shift invariant, which is protected by either a continuous $\text{U}(1)_r$ or discrete $\text{C}_n$ rotation symmetry, along with internal $\text{U}(1)_c$ charge conservation. Specifically, we construct an interface between two systems which have the same Chern number but are distinguished by their Wen-Zee shift and, through analytic arguments supported by numerics, show that the interface hosts counter-propagating gapless edge modes which cannot be gapped by arbitrary local symmetry-preserving perturbations. Using the Chern-Simons field theory description of two-dimensional Abelian topological orders, we then prove sufficient conditions for continuous rotation symmetry protected gapless edge states using two complementary approaches. One relies on the algebraic Lagrangian sub-algebra framework for gapped boundaries while the other uses a more physical flux insertion argument. For the case of discrete rotation symmetries, we extend the field theory approach to show the presence of fractional corner charges for Abelian topological orders with gappable edges, and compute them in the case where the Abelian topological order is placed on the two-dimensional surface of a Platonic solid. Finally, our work paves the way for studying the edge physics associated with spatial symmetries in symmetry enriched topological phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Aging and Lifetimes Milestone 7777, G.C. #4: Assess the ability of MRI to identify chemical and mechanical heterogeneity in polymers at various length scales

Polysiloxane foams utilized for stockpile applications experience changes over time induced by exposure to thermal, radiative, and mechanical stresses. The interplay of these stresses can lead to chemical and/or physical changes in the polymer, such as compression set and material degradation over time. Understanding the mechanisms of material aging and identifying material degradation prior to failure are critical in maintaining the integrity of the nuclear stockpile. Our prior work using solid-state NMR spectroscopy has shown that we can observe signatures of thermal, radiative, and mechanical aging of silicone elastomers using differences in NMR parameters such as relaxation (T1 and T2). However, most of our measurements have been on bulk samples and have only provided an average aging behavior of each sample. Here, we have used magnetic resonance imaging (MRI) to provide relaxation-weighted images that are a metric of structural heterogeneity (cross-link density) in polymers across multiple length scales. In addition, the larger sample size that can be accommodated in animal MRI scanners has the potential to make the technique adaptable to detecting heterogeneities whole parts.

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

Analysis of Defects in Metal Additive Manufacturing with Augmented Data Generation

Laser powder bed fusion (LPBF) is a method of additive manufacturing (AM) that selectively melts and fuses together microscopic metallic powder. LPBF offers the benefit of producing custom structures out of high strength metals that can be difficult to fabricate with conventional methods. The challenge of LPBF is that 3D printed structures often have internal pores due to process flaws. Pulsed thermal tomography (PTT) is a method for reconstructing the depth profile of materials, allowing the visualization internal voids in solids. In prior work, we developed a convolutional neural network (CNN) which, having been trained on simulated 2D PTT images of subsurface elliptical defects, was able to classify the semi-major radii, semi-minor radii, and angular orientation of the best-fit ellipses in previously unseen PTT images. The unseen PTT images contained subsurface irregular defect shapes imported from scanning electron microscopy (SEM) images of metallic LPBF-printed specimens. Training the CNN on irregular defect shapes instead of on elliptical shapes would make the resulting classifications more descriptive of actual defect shapes. However, this requires a much higher volume of SEM images of material defects, which are difficult to obtain because of random occurrence of defects in LPBF. To address this challenge, we developed a generative adversarial network (GAN) to augment the existing dataset of SEM defect images. The GAN model is demonstrated to create novel yet realistic defect shapes that can be used as input for simulated PTT images to train CNN.

36 MATERIALS SCIENCE↗
DOE OSTI2022

LLNL FY22 Aging and Lifetimes Exit Criteria: Milestone 8119, GC#01

Polysiloxane foams utilized for stockpile applications experience changes over time induced by exposure to thermal, radiative, and mechanical stresses. The interplay of these stresses can lead to chemical and/or physical changes in the polymer, such as compression set and material degradation over time. Understanding the mechanisms of material aging and identifying material degradation prior to failure are critical in maintaining the integrity of the nuclear stockpile. Our prior work using solid-state NMR spectroscopy has shown that we can observe signatures of thermal, radiative, and mechanical aging of silicone elastomers using differences in NMR parameters such as relaxation (T1 and T2). However, most of our measurements have been on bulk samples and have only provided an average aging behavior of each sample. Here, we have used magnetic resonance imaging (MRI) to provide relaxation-weighted images that are a metric of structural heterogeneity (crosslink density) in polymers across multiple length scales. In addition, the larger sample size that can be accommodated in animal MRI scanners has the potential to make the technique adaptable to detecting heterogeneities in whole parts.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microwave and rf Spectroscopy of 2D Carrier Systems and Bilayers (Final Technical Report)

We performed microwave spectroscopic studies of two dimensional electron systems (2DES) exhibiting the quantum Hall effect (QHE) in GaAs/Al${_x}$Ga$_{1-x}$As heterostructures. A common theme of the proposed work is electron solids, of which the simplest is the Wigner crystal, a triangular lattice of individual carriers. The solids are stabilized by carrier-carrier interaction and occur under conditions when the kinetic energy of the system is "frozen out" by high magnetic field, $B$. One of the main reasons for microwave spectroscopic study of 2DES is that the solid phases have striking microwave or rf spectra. In the low wave vector ($q$) limit these spectra exhibit a resonance that is understood as a pinning mode, a small collective oscillation of pieces of the solid within the disorder potential. Pinning modes can be very sharp, with quality factors up to around 30, and are valuable as signatures of the electron solids, and can reveal a solid even when standard dc transport shows an insulator, an integer QHE, or even a fractional QHE The pinning mode also is sensitive to the solid properties, and can reveal transitions between solids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Microbial Reduction of Manganese Oxides From AMD Solids for the Biomining of Critical Minerals / Rare Earth Elements

Abandoned Coal-Mine Drainage (AMD) is a source of critical minerals (CMs) that can be biomined to increase domestic CM production for the growing tech industry while mitigating current AMD hazardous waste. Pennsylvania has ~11,000 abandoned mines, ~500 of which are currently being treated with passive remediation systems (PRS), designed to increase the pH and precipitate AMD waste onsite. Manganese (Mn) that precipitates from AMD waste can co-precipitate with CMs, and the Mn and CMs will accumulate on the PRS solids over the treatment period. This results in high Mn/CM solids that could produce a valuable leachate if resolubilized. Mn reduction and solubilization can occur through microbial driven geochemical changes such as the acidification of the environment, and it is expected that Mn resolubilization will lead to a co-resolubilization of the CMs. Investigation and stimulation of this microbial resolubilization could result in an affordable CM release process that does not require chemical additives into the environment. However the microbial mechanisms that contribute to Mn resolubilization are poorly understood. Here, we have isolated bacteria capable of resolubilizing Mn from AMD PRS. Five of the bacteria isolates have been identified as Bacillus spp. and two as Corynebacterium spp. that ferment glucose to reduce/solubilize Mn MnO2 by acidogenesis. The bacterial isolates are also capable of solubilizing Mn and CMs (Y, Zr, Sb, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) from AMD PRS precipitated solids through their production of organic acids. Determining the microbial metabolism and genes involved in the resolubilization of manganese is crucial to optimize the biomining of CMs from AMD solid precipitants. This work addresses the growing need to develop novel CM recovery methods from domestic sources.

critical minerals↗
NASA NTRS1978

Satellite Power Systems (SPS) concept definition study (exhibit C)

A coplanar satellite conceptual approach was defined. This effort included several trade studies related to satellite design and also construction approaches for this satellite. A transportation system, consistent with this concept, was also studied, including an electric orbit transfer vehicle and a parallel-burn heavy lift launch vehicle. Work on a solid state microwave concept continued and several alternative approaches were evaluated. Computer determination of an optimized transistor and circuit design was also continued. Experiment/verification planning resulted in the development of a total solar array and microwave technology development plan, as well as definition of near-term research to evaluate key technology issues.

Hanley, G. M.↗
NASA NTRS1986

Cosmic X-ray physics

The analysis of the beryllium-filtered data from Flight 17.020 was completed. The data base provided by the Wisconsin diffuse X-ray sky survey is being analyzed by correlating the B and C band emission with individual velocity components of neutral hydrogen. Work on a solid state detector to be used in high resolution spectroscopy of diffuse or extend X-ray sources is continuing. A series of 21 cm observations was completed. A paper on the effects of process parameter variation on the reflectivity of sputter-deposited tungsten-carvon multilayers was published.

Mccammon, D.↗
NASA NTRS1999

Study of Magnetic Damping Effect on Convection and Solidification Under G-Jitter Conditions

As shown by NASA resources dedicated to measuring residual gravity (SAMS and OARE systems), g-jitter is a critical issue affecting space experiments on solidification processing of materials. This study aims to provide, through extensive numerical simulations and ground based experiments, an assessment of the use of magnetic fields in combination with microgravity to reduce the g-jitter induced convective flows in space processing systems. We have so far completed asymptotic analyses based on the analytical solutions for g-jitter driven flow and magnetic field damping effects for a simple one-dimensional parallel plate configuration, and developed both 2-D and 3-D numerical models for g-jitter driven flows in simple solidification systems with and without presence of an applied magnetic field. Numerical models have been checked with the analytical solutions and have been applied to simulate the convective flows and mass transfer using both synthetic g-jitter functions and the g-jitter data taken from space flight. Some useful findings have been obtained from the analyses and the modeling results. Some key points may be summarized as follows: (1) the amplitude of the oscillating velocity decreases at a rate inversely proportional to the g-jitter frequency and with an increase in the applied magnetic field; (2) the induced flow approximately oscillates at the same frequency as the affecting g-jitter, but out of a phase angle; (3) the phase angle is a complicated function of geometry, applied magnetic field, temperature gradient and frequency; (4) g-jitter driven flows exhibit a complex fluid flow pattern evolving in time; (5) the damping effect is more effective for low frequency flows; and (6) the applied magnetic field helps to reduce the variation of solutal distribution along the solid-liquid interface. Work in progress includes numerical simulations and ground-based measurements. Both 2-D and 3-D numerical simulations are being continued to obtain further information on g-jitter driven flows and magnetic field effects. A physical model for ground-based measurements is completed and some measurements of the oscillating convection are being taken on the physical model. The comparison of the measurements with numerical simulations is in progress. Additional work planned in the project will also involve extending the 2-D numerical model to include the solidification phenomena with the presence of both g-jitter and magnetic fields.

Li, Ben Q.↗