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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

First demonstration of an all-solid-state optical cryocooler

Solid-state optical refrigeration uses anti-Stokes fluorescence to cool macroscopic objects to cryogenic temperatures without vibrations. Crystals such as Yb 3+ -doped YLiF 4 (YLF:Yb) have previously been laser-cooled to 91 K. In this study, we show for the first time laser cooling of a payload connected to a cooling crystal. A YLF:Yb crystal was placed inside a Herriott cell and pumped with a 1020-nm laser (47 W) to cool a HgCdTe sensor that is part of a working Fourier Transform Infrared (FTIR) spectrometer to 135 K. This first demonstration of an all-solid-state optical cryocooler was enabled by careful control of the various desired and undesired heat flows. Fluorescence heating of the payload was minimized by using a single-kink YLF thermal link between the YLF:Yb cooling crystal and the copper coldfinger that held the HgCdTe sensor. The adhesive-free bond between YLF and YLF:Yb showed excellent thermal reliability. This laser-cooled assembly was then supported by silica aerogel cylinders inside a vacuum clamshell to minimize undesired conductive and radiative heat loads from the warm surroundings. Our structure can serve as a baseline for future optical cryocooler devices.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Overcoming photobleaching in imaging of single barium atoms in a solid xenon matrix

Neutrinoless double beta decay is one of the most sensitive probes for new physics beyond the Standard Model of particle physics. One of the isotopes under investigation is 136 Xe, which would double beta decay into 136 Ba. Detecting the single 136 Ba daughter provides a sort of ultimate tool in the discrimination against backgrounds. Previous work demonstrated the ability to perform single atom imaging of Ba atoms in a single-vacancy site of a solid xenon matrix. In this paper, the effort to identify signal from individual barium atoms is extended to Ba atoms in a hexa-vacancy site in the matrix and is achieved despite increased photobleaching in this site. Abrupt fluorescence turn-off of a single Ba atom is also observed. Significant recovery of fluorescence signal lost through photobleaching is demonstrated upon annealing of Ba deposits in the Xe ice. Following annealing, it is observed that Ba atoms in the hexa-vacancy site exhibit antibleaching while Ba atoms in the tetra-vacancy site exhibit bleaching. This may be evidence for a matrix site transfer upon laser excitation. Our findings offer a path of continued research toward tagging of Ba daughters in all significant sites in solid xenon.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Elucidating the Reaction Pathways of Veratrylglycero-β-Guaiacyl Ether Degradation over Metal-Free Solid Acid Catalyst with Hydrogen

Efficient cleavage of β-O-4 bonds in lignin to high-yield aromatic compounds for the potential production of fuels and chemicals is vital for the economics of the modern biorefinery industry. This work is distinct in that a detailed mechanistic analysis of the reaction pathways of veratrylglycero-β-guaiacyl ether (VGE) catalyzed by transition-metal-free solid acid zeolite in aqueous conditions at high hydrogen pressure has been performed. VGE degradation produced high monomers yields (≈87 %), including guaiacol (48.2 %), 1-(3,4-dimethoxyphenyl)ethanol (10.3 %), 1-(3,4-dimethoxyphenyl)-2-propanol (6.1 %), 3,4-dimethoxyphenylpropanol (4.7 %), 3,4-dimethoxycinnamyl alcohol (4.1 %), and 1,2-dimethoxy-4-propylbenzene (2 %). The products were identified and confirmed by the in situ solid-state magic angle spinning (MAS) 13 C NMR spectroscopy in real-time conditions and the two-dimensional gas chromatography (GC×GC). A variety of products reveal the crucial role of hydrogen, water, and acid sites for heterolytic cleavage of the β-O-4 bond in VGE. Decarbonylation, hydrogenolysis, hydrogenation, and dehydration reaction pathways are proposed and further validated using first-principles calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

All-organic self-separating three-dimensionally nanoarchitected electrochemical energy storage devices

This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon anode with a co-continuous pore network, derived from the structure direction of resols by an ultra-large molar mass block copolymer (BCP), poly(styrene-block-2-dimethylaminoethyl methacrylate) (SA). Electropolymerization of a single-phase conductive and redox-active material, poly((2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methyl 9,10-dioxo-9,10-dihydroanthracene-2-carboxylate) (PAQEDOT), into the pore space provides the cathode of the cell. The device is electronically contacted to the relevant electrode network enabled by the co-continuous nature of each electrode. Electrochemical processing via cycling against external lithium in an electrolyte generates a solid electrolyte interphase (SEI) as a separator and lithiates the cell electrodes, after which the EES device is cycled in the solid state. While the full cell does not demonstrate high cyclability, the best full cell demonstrates a discharge capacity of 267 milliamp hours per gram (mAh/g). This work marks, to the best of knowledge of the authors, the first example of an all-organic materials derived 3D nanoarchitected EES device, as well as the first design of "self-separating" cell fabrication. Furthermore, generalization of the design to another co-continuous carbon form factor is demonstrated.

FOS: Physical sciences↗
DOE OSTI2019

Revealing Nanoscale Solid–Solid Interfacial Phenomena for Long-Life and High-Energy All-Solid-State Batteries

Enabling long cyclability of high-voltage oxide cathodes is a persistent challenge for all-solid-state batteries, largely because of their poor interfacial stabilities against sulfide solid electrolytes. While protective oxide coating layers such as LiNbO 3 (LNO) have been proposed, its precise working mechanisms are still not fully understood. Existing literature attributes reductions in interfacial impedance growth to the coating's ability to prevent interfacial reactions. However, its true nature is more complex, with cathode interfacial reactions and electrolyte electrochemical decomposition occurring simultaneously, making it difficult to decouple each effect. Herein, we utilized various advanced characterization tools and first-principles calculations to probe the interfacial phenomenon between solid electrolyte Li6PS5Cl (LPSCl) and high-voltage cathode LiNi 0.85 Co 0.1 Al 0.05 O 2 (NCA). We segregated the effects of spontaneous reaction between LPSCl and NCA at the interface and quantified the intrinsic electrochemical decomposition of LPSCl during cell cycling. We report both experimental and computational results demonstrated improved thermodynamic stability between NCA and LPSCl after incorporation of the LNO coating. Additionally, we revealed the in situ passivation effect of LPSCl electrochemical decomposition. When combined, both these phenomena occurring at the first charge cycle result in a stabilized interface, enabling long cyclability of all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2024

The Impact of Lithium Anode Interface on Capacity Fade in Polymer Electrolyte-Based Solid-State Batteries

This study investigates the Li stripping-plating morphology and failure mechanisms in full cells consisting of a solid polymer electrolyte (SPE) with two commercial Li anodes: Li chip and Li foil. The primary identified failure mechanism of the SPE cell is capacity fade, regardless of the Li manufacturer. While the cathode’s role in capacity fade is evident, the Li anode significantly influences cycling performance, with Li foil cells cycling 50% longer than Li chip cells, a statistical difference. Further, post-mortem scanning electron microscopy and X-ray photoelectron spectroscopy results attribute the Li chip’s faster capacity fade to a loss of contact and continuous growth of the solid electrolyte interphase (SEI). Conversely, Li foil maintains consistent contact with the solid polymer, displaying a thin and stable SEI. Additionally, failure mechanisms between a gel electrolyte in previous work and the dry SPE are compared.

25 ENERGY STORAGE↗
DOE OSTI2024

Designing lithium halide solid electrolytes

All-solid-state lithium batteries have attracted widespread attention for next-generation energy storage, potentially providing enhanced safety and cycling stability. The performance of such batteries relies on solid electrolyte materials; hence many structures/phases are being investigated with increasing compositional complexity. Among the various solid electrolytes, lithium halides show promising ionic conductivity and cathode compatibility, however, there are no effective guidelines when moving toward complex compositions that go beyond ab -initio modeling. Here, we show that ionic potential, the ratio of charge number and ion radius, can effectively capture the key interactions within halide materials, making it possible to guide the design of the representative crystal structures. This is demonstrated by the preparation of a family of complex layered halides that combine an enhanced conductivity with a favorable isometric morphology, induced by the high configurational entropy. This work provides insights into the characteristics of complex halide phases and presents a methodology for designing solid materials.

25 ENERGY STORAGE↗
DOE OSTI2021

Metal leaching from Lithium-ion and Nickel-metal hydride batteries and photovoltaic modules in simulated landfill leachates and municipal solid waste materials

Photovoltaic (PV) modules and batteries can either be recycled or disposed of in landfills at end-of-life (EoL). This work focuses on disposal since the benefit of recycling PV modules and batteries is well established. This study characterizes the potential toxicity due to metals leaching from selected PV modules and batteries through both the Toxicity Characteristic Leaching Procedure (TCLP) and in-house batch leaching protocols to probe the impact on metallic ion mobility as a function of the different types of e-waste entering the waste stream, the magnitude of device damage when placed into the waste stream, and the simulated municipal solid waste (SMSW) composition. Our results showed that one PV module and three battery types in this study should be classified as hazardous waste within the U.S. However, for some of the other e-wastes, metals of concern including Cr, Cu, Hg, Ni, Pb, and Zn leached during the batch tests but not in the TCLP regulatory method. For most of the waste types, the amounts of metals that leached in the TCLP test and batch tests were much lower than the total extractable amounts, demonstrating the potential for additional unaccounted for amounts of metals to leach. Our results demonstrate that the TCLP regulatory method might fail at predicting potential leaching and at capturing the complexity of e-waste leaching in landfill conditions. It confirms that additional work is needed urgently to develop appropriate EoL procedures for MSW with PV and battery e-waste.

42 ENGINEERING↗
DOE OSTI2018

Impact of interfaces on the radiation response and underlying defect recovery mechanisms in nanostructured Cu-Fe-Ag

Newest developments in nuclear fission and fusion technology as well as planned long-distance space missions demand novel materials to withstand harsh, irradiative environments. Radiation-induced hardening and embrittlement are a concern that can lead to failure of materials deployed in these applications. Here the underlying mechanisms are accommodation and clustering of lattice defects created by the incident radiation particles. Interfaces, such as free surfaces, phase and grain boundaries, are known for trapping and annihilating defects and therefore preventing these radiation-induced defects from forming clusters. In this work, differently structured nanocomposite materials based on Cu-Fe-Ag were fabricated using a novel solid-state route, combining severe plastic deformation with thermal and electrochemical treatments. The influence of different interface types and spacings on radiation effects in these materials was investigated using nanoindentation. Interface-rich bulk nanocomposites showed a slight decrease in hardness after irradiation, whereas the properties of a nanoporous material remain mostly unchanged. An explanation for this different material behavior and its link to recovery mechanisms at interfaces is attempted in this work, paving a concept towards radiation resistant materials.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Optimal Synthesis of Compliant Mechanisms using Subdivision and Commercial FEA (DETC2004-57497)

The field of distributed-compliance mechanisms has seen significant work in developing suitable topology optimization tools for their design. These optimal design tools have grown out of the techniques of structural optimization. This paper will build on the previous work in topology optimization and compliant mechanism design by proposing an alternative design space parameterization through control points and adding another step to the process, that of subdivision. The control points allow a specific design to be represented as a solid model during the optimization process. The process of subdivision creates an additional number of control points that help smooth the surface (for example a C(sup 2) continuous surface depending on the method of subdivision chosen) creating a manufacturable design free of some traditional numerical instabilities. Note that these additional control points do not add to the number of design parameters. This alternative parameterization and description as a solid model effectively and completely separates the design variables from the analysis variables during the optimization procedure. The motivation behind this work is to create an automated design tool from task definition to functional prototype created on a CNC or rapid-prototype machine. This paper will describe the proposed compliant mechanism design process and will demonstrate the procedure on several examples common in the literature.

Hull, Patrick V.↗
DOE OSTI2020

Smooth periodic gauge satisfying crystal symmetry and periodicity to study high-harmonic generation in solids

Intense lasers can easily drive nonadiabatic transitions of excited electron wave packets across the Brillouin zones, thus transition dipole moments (TDM) between energy bands of solids should be continuous, satisfying crystal symmetry, and periodic at zone boundaries. While current ab initio algorithms are powerful in calculating band structures of solids, they all introduced random phases into the eigenfunctions at each crystal momentum k. In this work, we show how to choose a “smooth-periodic” gauge where TDMs can be smooth versus k, preserving crystal symmetry, as well as maintaining periodic at boundaries. The symmetry properties of TDMs with respect to k ensure the absence of even-order harmonics from MgO with inversion symmetry, while the TDM in the “smooth-periodic” gauge for broken-symmetry ZnO is responsible for even harmonics that were underestimated in previous simulations. These results reveal the importance of correctly treating the complex TDMs that satisfy crystal symmetry and continuous across zone boundaries in nonlinear laser-solid interactions, which has been elusive in most theories so far.

36 MATERIALS SCIENCE↗
DOE OSTI2027

A multi-region approach for the analysis of porous materials and gas-solid reactions using USAXS-SAXS-WAXS: application to CaO carbonation

The reaction rate of gas-solid non-catalytic reactions is typically investigated using reactant conversion data over time and ex-situ measurements of the porous solid reactant textural properties; these data enable the experimental estimation of the initial intrinsic reaction rate, whereas the evolution of the textural properties and the reaction rate over time are evaluated theoretically using reaction models. In this work, a different methodology is presented, based on: a) in-situ time-resolved USAXS-SAXS-WAXS measurements of the solid sample, and b) a multi-region modeling approach; this methodology allows for the estimation of the textural properties and the intrinsic reaction rate at any time during the reaction. Referring to a reaction in which a solid product is obtained from a solid reactant and a gaseous reactant, the porous particle is described as consisting of several distinct regions with different microstructural properties, and both a gas-solid reaction model and a SAXS model are derived and applied to the carbonation of porous CaO. The proposed reaction model highlights the role of the inaccessible reactant and accurately predicts the solid reactant conversion versus time profile. The SAXS model accurately predicts the measured linear trends of the Porod invariant and of the pre-factor of the power law scattering profile versus CaO mass fraction; in the absence of chemical reactions, the proposed equations extend classical SAXS theory to porous materials containing macropores and nonporous solid phases in addition to standard nanoscale inhomogeneous regions.

CO2 solid sorbents↗
DOE OSTI2022

In-situ visualization of the transition metal dissolution in layered cathodes

Transition metal dissolution in layered cathodes is one of the most intractable issues that deteriorates the battery performance and lifetime. It not only aggravates the structure degradation in cathode, but also damages the solid electrolyte interphase in anode and even induce the formation of lithium dendrites. In this work, we investigate the dissolution behaviors of polycrystalline and single-crystalline layered cathode via operando X-ray imaging techniques. The described cathode particle morphology appears to have a significant impact on the evolution of the dissolution dynamics. As a mitigation strategy, we reveal that doping with trace amount of Zr in the layered cathode could improve its robustness against the transition metal dissolution. Our finding provides valuable insights for designing the next-generation highly-stable layered battery cathodes.

25 ENERGY STORAGE↗
NASA NTRS1991

Solid lubricants

The state of knowledge of solid lubricants is reviewed. The results of research on solid lubricants from the 1940's to the present are presented from a historical perspective. Emphasis is placed largely, but not exclusively, on work performed at NASA Lewis Research Center with a natural focus on aerospace applications. However, because of the generic nature of the research, the information presented in this review is applicable to most areas where solid lubricant technology is useful.

Sliney, Harold E.↗
NASA NTRS1993

Solid lubricants

The state of knowledge of solid lubricants is reviewed. The results of research on solid lubricants from the 1940's to the present are presented from a historical perspective. Emphasis is placed largely, but not exclusively, on work performed at NASA Lewis Research Center with a natural focus on aerospace applications. However, because of the generic nature of the research, the information presented in this review is applicable to most areas where solid lubricant technology is useful.

Sliney, Harold E.↗
DOE OSTI2024

Yttrium solid phase equation of state with uncertainty quantification

We discuss the development of an equation of state (EOS) for solid yttrium up to roughly 80 GPa. The EOS makes use of different experimental datasets, including measurements of the isobaric density, isobaric specific heat, room temperature isotherm, and principal shock Hugoniot. The fitting procedure is carried out using Markov Chain Monte Carlo (MCMC), where we fit model parameters for both the cold curve and ion thermal models simultaneously. The results show close agreement with experimental data and provide meaningful uncertainty estimates on the model parameters. This work serves as a first step towards a multiphase EOS for yttrium, which will include higher pressure solid phases (> 80 GPa), as well as modeling of the liquid phase.

36 MATERIALS SCIENCE↗
NASA NTRS2004

Water for Two Worlds: Designing Terrestrial Applications for Exploration-class Sanitation Systems

At the United Nations Millennium Summit in September of 2000, the world leaders agreed on an ambitious agenda for reducing poverty and improving lives: the Millennium Development Goals (MDGs), a list of issues they consider highly pernicious, threatening to human welfare and, thereby, to global security and prosperity. Among the eight goals are included fundamental human needs such as the eradication of extreme poverty and hunger, the promotion of gender equality, the reduction of child mortality and improvement of maternal health, and ensuring the sustainability of our shared environment. In order to help focus the efforts to meet these goals, the United Nations (UN) has established a set of eighteen concrete targets, each with an associated schedule. Among these is Target 10: "By 2015, reduce by half the proportion of people without access to safe drinking water." A closely related target of equal dignity was agreed at the World Summit on Sustainable Development (Johannesburg, September 2002): "By 2015, reduce by half the proportion of people without access to basic sanitation." One of the greatest successes in the development of Exploration-class technologies for closed-loop, sustainable support of long-duration human space missions has been the work both ESA and NASA have done in bioregenerative water reclamation (WRS), and secondarily, in solid-waste management. Solid-waste and WRS systems tend to be combined in the commercial world into the field of sanitation, although as we will see, the most essential principles of sustainable terrestrial sanitation actually insist upon the separation of solid and liquid excreta. Seeing the potential synergy between the space program ALS technologies developed for Mars and the urgent needs of hundreds of millions of people for secure access to clean water here on Earth, we set out to organize the adaptation of these technologies to help the United Nations Development Programme (UNDP) meet Target 10. In this paper, we will summarize the issues and results of the first "Water for Two Worlds" summit held in January of this year, describe,the status of the sustainable sanitation systems that are on the table for adaptation to widespread terrestrial use, and present fundamental strategies for forward work.

Adams, Constance↗
DOE OSTI2018

Molecular-Scale Structure of Electrode–Electrolyte Interfaces: The Case of Platinum in Aqueous Sulfuric Acid

Knowledge of the molecular composition and electronic structure of electrified solid-liquid interfaces is key to understanding elemental processes in heterogeneous reactions. Using X-ray absorption spectroscopy in the interface-sensitive electron yield mode (EY-XAS), first-principles electronic structure calculations, and multiscale simulations, we determined the chemical composition of the interfacial region of a polycrystalline platinum electrode in contact with aqueous sulfuric acid solution at potentials between the hydrogen and oxygen evolution reactions. We found that between 0.7 and 1.3 V vs Ag/AgCl the electrical double layer (EDL) region comprises adsorbed sulfate ions with hydrated hydronium ions in the next layer. No evidence was found for bisulfate or Pt-O/Pt-OH species, which have very distinctive spectral signatures. In addition to resolving the long-standing issue of the EDL structure, our work establishes interface- and element-sensitive EY-XAS as a powerful spectroscopic tool for studying condensed phase, buried solid-liquid interfaces relevant to various electrochemical processes and devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗