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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Lasergate: A windowless gas target for enhanced laser preheat in magnetized liner inertial fusion

At the Z Facility at Sandia National Laboratories, the magnetized liner inertial fusion (MagLIF) program aims to study the inertial confinement fusion in deuterium-filled gas cells by implementing a three-step process on the fuel: premagnetization, laser preheat, and Z-pinch compression. In the laser preheat stage, the Z-Beamlet laser focuses through a thin polyimide window to enter the gas cell and heat the fusion fuel. However, it is known that the presence of the few μm thick window reduces the amount of laser energy that enters the gas and causes window material to mix into the fuel. These effects are detrimental to achieving fusion; therefore, a windowless target is desired. The Lasergate concept is designed to accomplish this by “cutting” the window and allowing the interior gas pressure to push the window material out of the beam path just before the heating laser arrives. In this work, we present the proof-of-principle experiments to evaluate a laser-cutting approach to Lasergate and explore the subsequent window and gas dynamics. Further, an experimental comparison of gas preheat with and without Lasergate gives clear indications of an energy deposition advantage using the Lasergate concept, as well as other observed and hypothesized benefits. While Lasergate was conceived with MagLIF in mind, the method is applicable to any laser or diagnostic application requiring direct line of sight to the interior of gas cell targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Physics augmented machine learning discovery of composition-dependent constitutive laws for 3D printed digital materials

Multi-material 3D printing, particularly through polymer jetting, enables the fabrication of digital materials by mixing distinct photopolymers at the micron scale within a single build to create a composite with tunable mechanical properties. Here, this work presents an integrated experimental and computational investigation into the composition-dependent mechanical behavior of 3D printed digital materials. We experimentally characterize five formulations, combining soft and rigid UV-cured polymers under uniaxial tension and torsion across three strain and twist rates. The results reveal nonlinear and rate-dependent responses that strongly depend on composition. To model this behavior, we develop a physics-augmented neural network (PANN) that combines a partially input convex neural network (pICNN) for learning the composition-dependent hyperelastic strain energy function with a quasi-linear viscoelastic (QLV) formulation for time-dependent response. The pICNN ensures convexity with respect to strain invariants while allowing non-convex dependence on composition. To enhance interpretability, we apply $L_0$ sparsification. For the time-dependent response, we introduce a multilayer perceptron (MLP) to predict viscoelastic relaxation parameters from composition. The proposed model accurately captures the nonlinear, rate-dependent behavior of 3D printed digital materials in both uniaxial tension and torsion, achieving high predictive accuracy for interpolated material compositions. This approach provides a scalable framework for automated, composition-aware constitutive model discovery for multi-material 3D printing.

Constitutive modeling↗
NASA NTRS2014

The Investigation of Chlorates as a Possible Source of Oxygen and Chlorine Detected by the Sample Analysis at Mars (SAM) Instrument in Gale Crater, Mars

The Sample Analysis at Mars (SAM) instrument onboard the Curiosity rover detect-ed O2 and HCl gas releases from the Rocknest (RN) eolian bedform and the John Klein (JK) and Cumberland (CB) drill hole materials in Gale Crater. Chlorinated hydrocarbons have also been detected by the SAM quadrupole mass spectrometer (QMS) and gas chromatography/mass spectrometer (GCMS). These detections along with the detection of perchlorate (ClO4-) by the Mars Phoenix Lander’s Wet Chemistry Laboratory (WCL) suggesting perchlorate is a possible candidate for evolved O2 and chlorine species. Laboratory thermal analysis of perchlorates has yet to provide an unequivocal temperature match to the SAM O2 and HCl release data. Iron mineralogy found in the Rocknest materials when mixed with Ca-perchlorate does cause O2 release temperatures to be closer match to the SAM O2 release data but more work is required in evaluating the catalytic effects of Fe mineralogy on perchlorate decomposition. Chlorates (ClO3-) are relevant Mars materials and potential O2 and Cl sources. The objective of this work is to evaluate the thermal decomposition of select chlorate (ClO3-) salts as possible sources of the O2 and HCl releases in the Gale Crater materials.

Sutter, B.↗
DOE OSTI2025

A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks

Low-dimensional hybrid inorganic–organic frameworks exhibit high structural flexibility and allow for the inclusion of various magnetic and optically-active species into their host structures. The emergence of copper-based hybrid structures for various optical applications provides a promising foundation for exploring the integration of magnetic sublattices, paving the way for advancements in magneto-optical coupling and multifunctional materials. Herein, we introduce a novel class of hybrid copper frameworks with covalently-connected alternating magnetic 2D copper(II) formate and non-magnetic copper(I) bromide layers. The anionic framework is stabilized by A + cations to form ACu 5 Br 4 (COOH) 4 (A + = Na + , K + , Rb + , NH 4 + ) semiconductors (bandgaps 2.1–2.2 eV) with optical transitions suitable for optoelectronic applications. Comprehensive magnetometry studies show that ACu 5 Br 4 (COOH) 4 compounds exhibit low-dimensional 2D short-range antiferromagnetic order within the formate layers, characterized by strong exchange coupling (J/k B ∼ −100 K). Upon further temperature reduction, interactions between Cu(II) layers give rise to 3D long-range magnetic order at ∼40 K, despite the large (8.6–8.8 Å) spatial separation of the magnetic Cu(II) formate layers by nonmagnetic Cu(I)–Br bridging layers. This transition is further supported by electron paramagnetic resonance (EPR) spectroscopy. In conclusion, this study expands our understanding of low-dimensional hybrid frameworks and opens new avenues for the design of 2D multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Energy performance of an operational government building retrofitted with ceiling phase change material tiles in a mixed-humid climate

The aging U.S. building stock requires various retrofit measures to enhance their energy efficiency. Here, this study explores the integration of thermal energy storage and advanced building controls as viable retrofit solutions for load flexibility and peak demand response while maintaining the occupants' comfort. A detailed assessment is conducted on the energy use of an administrative building in Sumner County, Kansas, focusing on the implementation of phase change materials (PCMs) in the ceiling of occupied zones. First, a time-resolved, whole-building energy model is developed in EnergyPlus, incorporating complex thermal behaviors such as air exchange between the plenum space and occupied zones, envelope leakage, and operational schedules. The model is then validated using experimental field test data, and subsequently a parametric assessment of key PCM properties and application strategies is performed to evaluate cooling electricity demand benefits. The parametric study shows that the optimal retrofit strategy, comprising a PCM with 23°C peak melting temperature, 0.125 in. (3.17 mm) thickness, and 150 kJ/kg latent heat, combined with active controls that include 8 h of precooling, forced convection under the ceiling, and a 2°C thermostat setback during peak hours, can result in a maximum load shift during the peak period of 99.6 % and the total electricity savings during the peak period of 98.9 % for the optimum case and thus provide significant cost savings under time-of-use pricing scenarios.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1998

Process-Parameter-Dependent Optical and Structural Properties of ZrO2MgO Mixed-Composite Films Evaporated from the solid Solution

The process-parameter-dependent optical and structural properties of ZrO2MgO mixed-composite material have been investigated. Optical properties were derived from spectrophotometric measurements. By use of atomic force microscopy, x-ray diffraction analysis, and energy-dispersive x-ray (EDX) analysis, the surface morphology, grain size distributions, crystallographic phases, and process-dependent material composition of films have been investigated. EDX analysis made evident the correlation between the oxygen enrichment in the films prepared at a high level of oxygen pressure and the very low refractive index. Since oxygen pressure can be dynamically varied during a deposition process, coatings constructed of suitable mixed-composite thin films can benefit from continuous modulation of the index of refraction. A step modulation approach is used to develop various multilayer-equivalent thin-film devices.

Sahoo, N. K.↗
DOE OSTI2023

Ultra low noise materials and devices for cryogenic superconductors and quantum bits

Materials, products, methods of use and fabrication thereof are disclosed. The materials are particularly well suited for application in products such as superconducting devices and quantum computing, due to ability to avoid undesirable effects from inherent noise and decoherence. The materials are formed from select isotopes having zero nuclear spin into a single crystal-phase film or layer of thickness depending on the desired application of the resulting device. The film/layer may be suspended or disposed on a substrate. The isotopes may be enriched from naturally-occurring sources of isotopically mixed elemental material(s). The single crystal is preferably essentially devoid of structural defects such as grain boundaries, inclusions, impurities and lattice vacancies.

Pereverzev, Sergey↗
DOE OSTI2022

Structural diversity among multinary pnictide oxides: a minireview focused on semiconducting and superconducting heteroanionic materials

Incorporating different anions with varied ionic sizes and charges is a rapidly growing approach to bring out unusual physical properties among various classes of solid-state materials, pnictides and chalcogenides in particular. This minireview is focused on hetero-anionic materials based on the pnictogens, which have been demonstrated to offer an impressive diversity of crystal chemistry and electronic structures. In addition, many pnictide oxides or oxypnictides, over the course of the last decade, have been shown to exhibit a broad spectrum of superconducting, magnetic, and semiconducting properties. However, the structural diversity of the mixed-anion materials is far greater than the several known structure types, or their variants, of the well-known layered superconductive materials. Therefore, with this treatise, we aim to provide a comprehensive overview of the crystal chemistry of pnictide oxides by recounting almost 40 different structures of such ternary and multinary compounds. In addition to the structural aspects, we also highlight some of the challenges associated with the synthesis, and briefly summarize reported, to date, physical properties of this remarkable class of solids.

crystal structure↗
DOE OSTI2020

Dual Material System for Polymer Large Scale Additive Manufacturing

Big Area Additive Manufacturing (BAAM) technology allows for manufacturing of large-scale objects with a potential to reduce energy embedded in products, reduce or eliminate energy necessary for transportation of goods along with reducing the lead time and cost in some cases. Over the last few years, Oak Ridge National Laboratory (ORNL) has been focusing on large-scale printing of single material systems, typically un-reinforced or short fiber reinforced polymers, in order to address needs in stiffness-limited applications. This paper describes the development of a multi-material large-scale AM system through a collaboration with Cincinnati Inc. and Performance Feed Screw Inc. Modifications to the Big Area Additive Manufacturing (BAAM) system includes a new extruder design to accommodate a dual feed system, an expanded two-dryer system with a capacity of 273 kg/dryer, and a system that is capable of mixing pelletized materials up to 60Kg/hr. This article highlights the advantages and limitations of the multi-material system as well as potential applications.

Smith, Tyler↗
DOE OSTI2023

Adaptive Discovery and Mixed-Variable Optimization of Next Generation Synthesizable Microelectronic Materials

Design of new microelectronic materials is characterized by several challenges such as high-dimensionality of the atomic structure-composition variable space, formidable cost of directly using high-fidelity simulations for design optimization, dispersity in literature-reported similar materials and synthesis methods, complex physical mechanisms, and mixed qualitative and quantitative design variables that lead to a disjointed design space. Even though machine learning (ML) techniques have been employed to expedite materials innovation, existing methods treat ML and design optimization as two separate processes, failing to resolve the fundamental challenges associated with high dimensionality and mixed-variable complexity. We have developed a ML enhanced mixed-variable material design optimization framework to efficiently extract useful information from existing data in literature and physics-based simulations to guide the autonomous search for optimal materials. Our proposed framework is composed of four computational modules: (1) a natural language processing (NLP) based virtual screening module, (2) classification based concept exploration module, (3) a density functional theory (DFT)-based high-fidelity evaluation model, and (4) a novel latent-variable Gaussian process (LVGP) ML model for mixed-variable problems with uncertainty quantification, which seamlessly integrates with Bayesian Optimization (BO) and achieves superb efficiency through embedded physics-based dimension reduction. Our approach is demonstrated and validated using the testbed of functional materials exhibiting metal-insulation transitions (MITs), with the targeted reversible resistivity changes (∼10^5) near room temperature. At the end of the 30-month project, we have developed a series of new ML techniques using NLP, conditional variational autoencoders, active learning, latent-variable Gaussian processes, integrated with Bayesian optimization. Our project has resulted in new predicted MITs compounds and improved understanding of MITs microscopic mechanisms, which in turn will revolutionize microelectronics science to provide energy-saving solutions. Our research has improved both creativity and efficiency in transforming rare-event discoveries of new functional materials to persistent innovations. In addition to open-sourcing the online MIT database and the classification model, the LVGP open source code has been downloaded more than 15,000 times within two years. More than 40 MIT compounds have been identified and many have been pursued experimentally via collaborators. The research results are published in close to 20 collaborative papers in high-impact journals, such as Chem. Mater., Appl. Phys. Rev., Sci. Rep., among others of design space.

36 MATERIALS SCIENCE↗
NASA NTRS1988

The effects of mixing of the ejecta on the hard X-ray emissions from SN 1987A

The X-ray and gamma-ray emissions expected from SN 1987A have been calculated, taking into account mixing of material in the ejecta. Nuclear gamma rays emitted by Co-56 are scattered down to the hard X-ray band by multiple Compton scatterings. Nomoto's 11E1Y6 model for the ejecta of SN 1987A is used. X-ray light curves in the 10-30 keV band and spectra above 20 keV calculated with an inner mixed region of 5 + or - 1 solar mass are consistent with the observations performed with the Ginga satellite and the Kvant/Roentgen mission. On the basis of this comparison, further evolutions of the hard X-ray, gamma-ray, and optical/infrared emissions are discussed.

Ebisuzaki, Toshikazu↗
NASA NTRS2001

Decoding the Domino: The Dark Side of Iapetus

We present new spectra of the leading and trailing hemispheres of Iapetus from 2.4 to 3.8 micron. We have combined the leading hemisphere spectra with previous observations by others to construct a composite spectrum of the dark side (leading) hemisphere from 0.3 to 3.8 gm. We review attempts to deduce the composition of the dark material from previously available spectrophotometry. None of them (numbering more than 20 million!) leads to a synthetic spectrum that matches the new data. An intimate mixture of water ice, amorphous carbon and a nitrogen-rich organic compound (modeled here as Triton tholin) can fit the entire composite dark side spectrum. Observations in this spectral region have not revealed this mix of material on any other object observed thus far. We propose that this dark material may have originated on Titan, where atmospheric photochemistry has been producing nitrogen-rich organic compounds for 4.5 GY.

Owen, Tobias C.↗
DOE OSTI2025

Halide segregation to boost all-solid-state lithium-chalcogen batteries

Mixing electroactive materials, solid-state electrolytes, and conductive carbon to fabricate composite electrodes is the most practiced but least understood process in all-solid-state batteries, which strongly dictates interfacial stability and charge transport. Here, we report on universal halide segregation at interfaces across various halogen-containing solid-state electrolytes and a family of high-energy chalcogen cathodes enabled by mechanochemical reaction during ultrahigh-speed mixing. Bulk and interface characterizations by multimodal synchrotron x-ray probes and cryo–transmission electron microscopy show that the in situ segregated lithium halide interfacial layers substantially boost effective ion transport and suppress the volume change of bulk chalcogen cathodes. Various all-solid-state lithium-chalcogen cells demonstrate utilization close to 100% and extraordinary cycling stability at commercial-level areal capacities.

36 MATERIALS SCIENCE↗
NASA NTRS2015

Gusev-Meridiani-Type Soil Component Dissolved in Some Shock Glasses in Shergottites

Modal analysis, based on APXS, MiniTES and Mossbauer results obtained at Gusev and Meridiani sites on Mars, indicates that Martian soils consist predominantly of igneous minerals such as olivine, pyroxene and feldspar (approximately70 - 80%), with the balance consisting of alteration minerals such as sulfates, silica and chlorides]. These studies also showed that soil alteration did not occur in-situ and igneous and alteration components are derived from different sources. Below, we analyse the chemical abundance data obtained from shock glasses in shergottites using mass balance mixing models. In these models, the two main end members used are (a) host rock chemical composition and (b) the GM soils average composition as the second component. Here, we consider the S-bearing phases as indicators of added alteration phases in the shock glasses and GM soils. Although the S-bearing phase in shock glasses occurs as micron sized sulfide blebs, we showed in earlier abstracts that sulfur was originally present as sulfate in impact glass-precursor materials and was subsequently reduced to sulfide during shock melting. This conclusion is based on results obtained from S-K XANES studies, Fe/S atomic ratios in sulfide blebs and 34S/32S isotopic measurements in these sulfide blebs. Additionally, sulfur in several EET79001 Lith. A glasses is found to correlate positively with Al2O3 and CaO (and negatively with FeO and MgO), suggesting the presence of Al- and Ca- sul-fate-bearing phases. The distribution of the 87Sr/86Sr iso-topic ratios determined in Lith. A glasses (,27 &,188 and,54) indicate that Martian soil gypsum and host rock material were mixed with each other in the glass precursors. In some vugs in Lith A glass,27 detected gypsum laths. Furthermore, the Martian regolith-de-rived component (where sulfur typically occurs as sul-fate) is identified in these glasses by determining neutron produced isotopic excesses/deficits in 80Kr and 149Sm isotopes. Moreover, the suggestion that the large amount of sulfur found in,507 was sourced from pyrrhotite in the host rock, would require that excessive quantities of host rock would need to be stripped of sulfur to make this sulfide-rich glass. These results provide ample evidence that S occurred as sulfate and was added to glass precursor materials prior to impact shock.

Ross, D. K.↗
NASA NTRS2016

Coordinated Isotopic and Mineral Characterization of Highly Fractionated 18O-Rich Silicates in the Queen Alexandra Range 99177 CR3 Chondrite

Carbonaceous chondrites contain a mixture of solar system condensates, pre-solar grains, and primitive organic matter. Each of these materials record conditions and processes in different regions of the solar nebula, on the meteorite parent body, and beyond the solar system. Oxygen isotopic studies of meteorite components can trace interactions of distinct oxygen isotopic reservoirs in the early solar system and secondary alteration processes. The O isotopic compositions of the earliest solar system condensates fall along a carbonaceous chondrite anhydrous mineral (CCAM) line of slope approximately 1 in a plot of delta 17O against delta 18O. This trend is attributed to mixing of material from 16O-poor and 16O-rich reservoirs. Secondary processing can induce mass-dependent fractionation of the O isotopes, shifting these compositions along a line of slope approximately 0.52. Substantial mass-dependent fractionation of O isotopes has been observed in secondary minerals in CAIs, calcite, and FUN inclusions. These fractionations were caused by significant thermal or aqueous alteration. We recently reported the identification of four silicate grains with extremely fractionated O isotopic ratios (delta 18O equals 37 - 55 per mille) in the minimally altered CR3 chondrite QUE 99177. TEM analysis of one grain indicates it is a nebular condensate that did not experience substantial alteration. The history of these grains is thus distinct from those of the aforementioned fractionated materials. To constrain the origin of the silicate grains, we conducted further Mg and Fe isotopic studies and TEM analyses of two grains.

Nguyen, A. N.↗
DOE OSTI2024

Hierarchically porous and single Zn atom-embedded carbon molecular sieves for H2 separations

Abstract Hierarchically porous materials containing sub-nm ultramicropores with molecular sieving abilities and microcavities with high gas diffusivity may realize energy-efficient membranes for gas separations. However, rationally designing and constructing such pores into large-area membranes enabling efficient H 2 separations remains challenging. Here, we report the synthesis and utilization of hybrid carbon molecular sieve membranes with well-controlled nano- and micro-pores and single zinc atoms and clusters well-dispersed inside the nanopores via the carbonization of supramolecular mixed matrix materials containing amorphous and crystalline zeolitic imidazolate frameworks. Carbonization temperature is used to fine-tune pore sizes, achieving ultrahigh selectivity for H 2 /CO 2 (130), H 2 /CH 4 (2900), H 2 /N 2 (880), and H 2 /C 2 H 6 (7900) with stability against water vapor and physical aging during a continuous 120-h test.

42 ENGINEERING↗
DOE OSTI2020

Electrochemical-assisted leaching of active materials from lithium ion batteries

The development of a circular economy for lithium-ion batteries (LIB) is essential to realize decarbonization and an electrified energy market. However, the current commercial operations that recover valuable constituents from LIBs require significant energy and reagents, which create toxic emissions and additional waste. We report an electrochemical-based method for leaching valuable metals from the active materials of mixed shredded LIBs. In this process, the use electrons, as green reagent, allows the use and regeneration of Fe 2+ in low concentrations as substitute for hydrogen peroxide as a reducing agent. Leaching in a membrane separated two-compartment electrochemical cell contributes to decrease the acid requirements as H+ can be generated electrochemically. With this design, leaching efficiencies over 96% for the active metals (Li, Co, Mn, and Ni) were demonstrated at pulp densities up to 240 g/L. Copper present in the active material is electrowon and recovered separately. Preliminary cost analyses demonstrate ca. 80% reduction in energy and chemical costs as compared to traditional hydrometallurgical routes.

25 ENERGY STORAGE↗
NASA NTRS2002

Fundamental Studies of Crystal Growth of Microporous Materials

Microporous materials are framework structures with well-defined porosity, often of molecular dimensions. Zeolites contain aluminum and silicon atoms in their framework and are the most extensively studied amongst all microporous materials. Framework structures with P, Ga, Fe, Co, Zn, B, Ti and a host of other elements have also been made. Typical synthesis of microporous materials involve mixing the framework elements (or compounds, thereof) in a basic solution, followed by aging in some cases and then heating at elevated temperatures. This process is termed hydrothermal synthesis, and involves complex chemical and physical changes. Because of a limited understanding of this process, most synthesis advancements happen by a trial and error approach. There is considerable interest in understanding the synthesis process at a molecular level with the expectation that eventually new framework structures will be built by design. The basic issues in the microporous materials crystallization process include: (1) Nature of the molecular units responsible for the crystal nuclei formation; (2) Nature of the nuclei and nucleation process; (3) Growth process of the nuclei into crystal; (4) Morphological control and size of the resulting crystal; (5) Surface structure of the resulting crystals; (6) Transformation of frameworks into other frameworks or condensed structures. The NASA-funded research described in this report focuses to varying degrees on all of the above issues and has been described in several publications. Following is the presentation of the highlights of our current research program. The report is divided into five sections: (1) Fundamental aspects of the crystal growth process; (2) Morphological and Surface properties of crystals; (3) Crystal dissolution and transformations; (4) Modeling of Crystal Growth; (5) Relevant Microgravity Experiments.

Dutta, P.↗