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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 1,351 records · Page 75
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Unravelling Microstructure Selection in an Additively Manufactured Eutectic High‐Entropy Alloy

High-entropy alloys (HEAs) are promising candidates for advanced structural applications due to their excellent mechanical properties. Additive manufacturing (AM), with its rapid solidification conditions, enables the creation of unique nonequilibrium microstructures. To fully leverage the synergy between AM and HEAs, understanding how processing affects structure and properties is essential. Here, how solidification rate influences microstructure evolution and phase transformation pathway in laser additively manufactured AlCrFe2Ni2 eutectic HEAs is investigated. By increasing the laser scan speed and hence the solidification rate, distinct solidification modes evolving from coupled eutectic to anomalous eutectic and eventually to single-phase solidification are revealed. These transitions result in distinct microstructures and a wide range of mechanical properties. Thermodynamic modeling and molecular dynamics simulations reveal that low cooling rates allow for sufficient atomic diffusion and phase separation, facilitating coupled eutectic growth. In contrast, rapid cooling suppresses diffusion and destabilizes the solid–liquid interface, promoting anomalous or single-phase solidification. This integrated experimental and computational approach provides a multiscale understanding of solidification mechanisms in HEAs and underscores how kinetic effects can over-ride thermodynamic predictions under nonequilibrium conditions. Furthermore, these results demonstrate that AM can serve as a powerful tool to design HEAs with tailored microstructures and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2026

From bulk to surface: Structure and dynamics of amorphous alumina from deep potential molecular dynamics

Understanding the atomic-scale structure and dynamics of amorphous oxide surfaces is essential for interpreting their chemical reactivity, mechanical stability, and interfacial behavior, yet direct experimental characterization remains challenging. We employ Deep Potential (DP) molecular dynamics to generate large-scale, ab initio -quality models of amorphous Al 2 O 3 bulk glasses and melt-quenched free surfaces, enabling a quantitative analysis of both structure and relaxation dynamics with statistical confidence inaccessible to direct ab initio simulation. The trained DP model reproduces experimental liquid and glass structure, captures the cooling-rate dependence of the bulk glass transition, and corrects systematic biases in the polyhedral populations predicted by widely used classical force fields. At the free surface, mass density recovers to bulk values over ~10 Å, while local coordination requires a slightly wider subsurface region to fully converge. The outermost layer is oxygen-enriched, exhibits altered polyhedral connectivity with contracted Al–O bonds, and hosts a broad population of under-coordinated motifs (notably AlO 3 and OAl 2 ) whose abundances are governed by glass stability. These under-coordinated surface motifs exhibit distinct vibrational signatures and occur as locally paired Lewis acid and Brønsted base sites consistent with bond-valence compensation, yet remain spatially dispersed rather than aggregating into extended clusters. Despite this pronounced structural heterogeneity, surface relaxation and the glass-transition temperature remain comparable to their bulk counterparts, suggesting that the disordered surface is kinetically stable once formed. Together, these results establish a molecular-level picture of amorphous alumina surfaces and demonstrate the capability of machine-learned potentials to resolve structure–property relationships in disordered oxide interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Consistent and reproducible computation of the glass transition temperature from molecular dynamics simulations

In many fields, from semiconductors for opto-electronic applications to ionic liquids (ILs) for separations, the glass transition temperature (Tg) of a material is a useful gauge for its potential use in practical settings. As a result, there is a great deal of interest in predicting Tg using molecular simulations. However, the uncertainty and variation in the trend shift method, a common approach in simulations to predict Tg, can be high. This is due to the need for human intervention in defining a fitting range for linear fits of density with temperature assumed for the liquid and glass phases across the simulated cooling. The definition of such fitting ranges then defines the estimate for the Tg as the intersection of linear fits. We eliminate this need for human intervention by leveraging the Shapiro–Wilk normality test and proposing an algorithm to define the fitting ranges and, consequently, Tg. Through this integration, we incorporate into our automated methodology that residuals must be normally distributed around zero for any fit, a requirement that must be met for any regression problem. Consequently, fitting ranges for realizing linear fits for each phase are statistically defined rather than visually inferred, obtaining an estimate for Tg without any human intervention. The method is also capable of finding multiple linear regimes across density vs temperature curves. We compare the predictions of our proposed method across multiple IL and semiconductor molecular dynamics simulation results from the literature and compare other proposed methods for automatically detecting Tg from density–temperature data. We believe that our proposed method would allow for more consistent predictions of Tg. We make this methodology available and open source through GitHub.

Chemistry↗
DOE OSTI2020

An Update on Cardinal: Toward Full Core Pebble Simulations

The new DOE-NE Center of Excellence for Thermal-fluids applications in Nuclear Energy inaugurated in April 2018 considers and researches novel new solution strategies for historically challenging flow issues that still plague the current fleet of deployed Light Water nuclear Reactors (LWRs) as well as predicting various fluid flow and fluid related issues with advanced reactor technologies. Our advanced thermal-fluids research and development approach synergistically combines three natural, though overlapping, length and time scales in a hierarchal multi-scale approach to avoid the temptation and pitfalls of attempting to develop a single solve-all algorithm for physical fluid flow problems that will span nine orders of magnitude in spatial and temporal scales. To demonstrate the multi-scale philosophy of the center we focus on Fluoride Cooled High Temperature Reactors (FHRs), and in particular on the Berkley’s PB-FHR Mark-I design. The Fluoride salt cooled High temperature Reactor (FHR) is a class of advanced nuclear reactors that combine the robust coated particle fuel form from high temperature gas cooled reactors, direct reactor auxiliary cooling system (DRACS) passive decay removal of liquid metal fast reactors, and the transparent, high volumetric heat capacitance liquid Fluoride salt working fluids - such as Flibe - from molten salt reactors. This combination of fuel and coolant enables FHRs to operate in a high-temperature low-pressure design space that has beneficial safety and economic implications. The PB-FHR reactor relies on a pebble bed approach and pebble bed reactors are in a sense the poster child for multi-scale analysis. The lower length-scale simulator for pebble reactor cores comprises three physics: neutronics (OpenMC), thermal-fluids (Nek5000/NekRS) and fuel performance (BISON). As part of Center of Excellence ongoing research efforts we have developed Cardinal, a new tool platform for lower length-scale simulation. Cardinal tightly couples all three physics and leverages advances in MOOSE such as the MultiApp system and the concept of MOOSE-wrapped Apps. The present report provides an update on the development of Cardinal with an extension of Cardinal to GPUs. We also perform a first-of-a-kind demonstration simulation on Summit representing a 10x capability increase in terms of pebble count for Cardinal.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1965

A low-temperature thermal noise source for use at the Goonhilly satellite-communication earth station

A matched waveguide termination was required as part of the noise temperature calibration facility in the receiving system at the Goonhilly earth-station. For routine measurement of overall system noise temperature, this termination is at ambient temperature. For other noise measurements, and in particular for the measurement of the effective input noise temperature of the maser, the waveguide termination is cooled to 77°K by immersion in liquid nitrogen.

TERMINAL↗
NASA NTRS1972

Space simulation experiments on reaction control system thruster plumes.

A space simulation procedure was developed for studying rocket plume contamination effects using a 5-lb bipropellant reaction control system thrustor. Vacuum chamber pressures of 0.00003 torr (70 miles altitude) were achieved with the thrustor firing in pulse trains consisting of eight pulses - 50 msec on, 100 msec off, and seven minutes between pulse trains. The final vacuum was achieved by cooling all vacuum chamber surfaces to liquid-helium temperature and by introducing a continuous argon leak of 48 std. cc/sec into the test chamber. Fast time response liquid flow rate measurements showed that large variations occurred in the ratio of oxidizer to fuel flow for pulse-on times up to 120 msec. These variations could lead to poor combustion efficiency and the production of contamination.

Cassidy, J. F.↗
NASA NTRS1973

Chondrules - An origin by impacts between dust grains

Modern theories regarding the origin of chondrules may be divided into two broad categories. According to primary theories, chondrules are thought to condense directly from the cooling nebular gas as stable or metastable liquid droplets. According to secondary theories, chondrules are thought to be produced by the flash heating and remelting of the original dust-like condensate. A collisional mechanism of chondrule formation is discussed.

Lange, D. E.↗
NASA NTRS1976

Cryogenic recovery

Because of the low boiling temperature of cryogenic propellants to be used on the Space Shuttle, loss of cryogens from boiloff could become very costly. This paper describes how this shuttle problem is being solved at Kennedy Space Center. Cryogenic losses are categorized relative to the particular cryogenic involved, the Space Shuttle servicing operation causing boiloff and the magnitude of the loss. The techniques under consideration are discussed in detail. These techniques include reclaiming the boiloff by reliquefaction, upgrading the reclaimed boiloff by purification, and interim boiloff storage in metal hydride prior to reprocessing. One of the reliquefaction processes discussed in detail utilizes the cooling effect of venting some of the liquid hydrogen boiloff to provide a simple hydrogen reliquefaction unit. Possible future applications of these cryogenics recovery techniques to industry and transportation systems using liquid hydrogen for energy storage and fuel are also discussed.

Howard, F. S.↗
NASA NTRS1978

The 0.1m subsonic cryogenic tunnel at the University of Southampton

The design and performance of a low speed one atmosphere cryogenic wind tunnel is described. The tunnel is fan driven and operates over the temperature range 305K to 77K at Mach numbers up to 0.28. It is cooled by the injection and evaporation of liquid nitrogen in the circuit, and the usual test gas is nitrogen. The tunnel has a square test section 0.1m across and was built to allow, at low costs, the development of testing techniques and the development of instrumentation for use in cryogenic tunnels, and to exploit in general instrumentation work the unusuallly wide range of unit Reynolds number available in such tunnels. The tunnel was first used in the development of surface flow visualization techniques for use at cryogenic temperatures.

Goodyer, M. J.↗
NASA NTRS1986

Making High-Porosity Alloy Spheroids

Noncontact process yields low-density, porous microstructure. Small spheroids of porous alloys with large surface area per unit volume produced by containerless processing method. Without container walls to serve as nucleation sites, alloy cools to well below normal freezing point without solidifying. Solidification then proceeds rapidly; interdendritic liquid pulled out by growing crystals, resulting in porous microstructure. The more rapid the cooling rate, the faster crystals grow and more porous solid becomes. Drop-tube method useful in creating porous microstructures from other materials including oxides, carbides, and organic materials. Other means of containerless processing - acoustic or air-jet levitation, low-gravity float melting, melt spinning, or jet spraying, adapted to process.

Ethridge, E. C.↗
NASA NTRS1985

Magnetic refrigeration for low-temperature applications

The application of refrigeration at low temperatures ranging from production of liquid helium for medical imaging systems to cooling of infrared sensors on surveillance satellites is discussed. Cooling below about 15 K with regenerative refrigerators is difficult because of the decreasing thermal mass of the regenerator compared to that of the working material. In order to overcome this difficulty with helium gas as the working material, a heat exchanger plus a Joule-Thomson or other exponder is used. Regenerative magnetic refrigerators with magnetic solids as the working material have the same regenerator problem as gas refrigerators. This problem provides motivation for the development of nonregenerative magnetic refrigerators that span approximately 1 K to approximately 0 K. Particular emphasis is placed on high reliability and high efficiency. Calculations indicate considerable promise in this area. The principles, the potential, the problems, and the progress towards development of successful 4 to 20 K magnetic refrigerators are discussed.

Barclay, J. A.↗
NASA NTRS1985

BASD: SIRTF Telescope Instrument Changeout and Cryogen Replenishment (STICCR) study

The Space Infrared Telescope Facility (SIRTF) is a long-life cryogenically cooled space-based telescope for infrared astronomy from 2 micrometer to 700 miocrometers currently under study by NASA-ARC, and planned for launch in approximately the mid 90's. SIRTF will operate as a multi-user facility, initially carrying 3 instruments at the focal plane. It will be cooled to below 2 K by superfluid liquid helium to achieve radiometric sensitivity limited only by the statistical fluctuations in the natural infrared background radiation over most of its spectral range. The lifetime of the mission will be limited by the lifetime of the liquid helium supply, and is currently baselined to be 2 years. The telescope changes required to allow in-space replenishment of the 2,000 liter superfluid helium tank are investigated. A preliminary design for the space services equipment is also developed. The impacts of basing the equipment and servicing on the space station are investigated. Space replenishment and changeout of instruments requires changes to the telescope design and preliminary concepts are presented.

Mord, A. J.↗
NASA NTRS1987

Study of helium transfer technology for STICCR: Fluid management

The Space Infrared Telescope Facility (SIRTF) is a long life cryogenically cooled space based telescope for infrared astronomy from 2 to 700 microns currently under study and planned for launch in the mid 90's. SIRTF will operate as a multi-user facility, initially carrying 3 instruments at the focal plane. It will be cooled to below 2 K by superfluid liquid helium to achieve radiometric sensitivity limited only by the statistical fluctuations in the natural infrared background radiation over most of its spectral range. The lifetime of the mission will be limited by the lifetime of the liquid helium supply, and is currently baselined to be 2 years. Candidates are reviewed for a liquid management device to be used in the resupply of liquid helium, and for the selection of an appropriate candidate.

Frank, D. J.↗
NASA NTRS1985

SIRTF Telescope Instrument Changeout and Cryogen Replenishment (STICCR) Study

The Space Infrared Telescope Facility (SIRTF) is a long-life cryogenically cooled space-based telescope for infrared astronomy from 2 to 700 micrometers. SIRTF is currently under study by NASA-ARC (Reference AP) and planned for launch in approximately the mid 1990s. SIRTF will operate as a multiuser facility, initially carrying three instruments at the focal plane. It will be cooled to below 2 K by superfluid liquid helium to achieve radiometric sensitivity limited only by the statistical fluctuations in the natural infrared background radiation over most of its spectral range. The lifetime of the mission will be limited by the lifetime of the liquid helium supply, and baseline is currently to be 2 years. The telescope changes required to allow in-space replenishment of the 4,000-L superfluid helium tank was investigated. A preliminary design for the space services equipment was also developed. The impacts of basing the equipment and servicing on the space station were investigated. Space replenishment and changeout of instruments required changes to the telescope design. Preliminary concepts are presented.

Nast, T. C.↗
NASA NTRS1991

Method of intercalating large quantities of fibrous structures

A method of intercalating large quantities of fibrous structures uses a rotatable reaction chamber containing a liquid phase intercalate. The intercalate liquid phase is controlled by appropriately heating, cooling, or pressurizing the reaction. Rotation of the chamber containing the fiber sample enables total submergence of the fiber during intercalation. Intercalated graphite fibers having metal-like resistivities are achieved and are conceivably useful as electrical conductors.

Gaier, James R.↗
NASA NTRS1954

A Preliminary Study of the Preparation of Slurry Fuels from Vaporized Magnesium

Slurry fuels containing extremely small particles of magnesium were prepared by concentrating the dilute slurry product resulting from the shock-cooling of magnesium metal vapors with a liquid hydrocarbon spray. A complete description of the equipment and procedure used in preparing the fuel is given. Ninety-five percent by weight of the solid particles formed by this process passed through a 100-mesh screen. The particle-size distribution of the screened fraction of one run, as determined by sedimentation analysis, indicated that 73 percent by weight of the metal particles were finer than 2 microns in equivalent spherical diameter. The purity of the solid particles ranged as high as 98.9 percent by weight of free magnesium. The screened product was concentrated by means of a bowl-type centrifuge from 0.5 to more than 50 percent by weight solids content to form an extremely viscous, clay-like mass. By addition of a surface active agent, this viscous material was converted into a pumpable slurry fuel.

FUELS, PREPARATION↗
NASA NTRS1993

Limited subsolidus diffusion in type B1 CAI: Evidence from Ti distribution in spinel

Most models of calcium aluminum-rich inclusions (CAI) have focused on early stages of formation by equilibrium crystallization of a homogeneous liquid. Less is known about the subsolidus cooling history of CAI. Chemical and isotopic heterogeneties on a scale of tens to hundreds of micrometers (e.g. MacPherson et al. (1989) and Podosek, et al. (1991)) suggest fairly rapid cooling with a minimum of subsolidus diffusion. However, transmission electron microscopy indicates that solid state diffusion may have been an important process at a smaller scale (Barber et al. 1984). If so, chemical evidence for diffusion could provide constraints on cooling times and temperatures. With this in mind, we have begun an investigation of the Ti distribution in spinels from two type B1 CAI from Allende to determine if post-crystallization diffusion was a significant process. The type B1 CAIs, 3529Z and 5241 have been described by Podosek et al. (1991) and by El Goresy et al. (1985) and MacPherson et al. (1989). We have analyzed spinels in these inclusions using the electron microprobe. These spinels are generally euhedral, range in size from less than 10 to 15 micron and are poikilitically enclosed by millimeter-sized pyroxene, melilite, and anorthite. Analyses were obtained from both the mantles and cores of the inclusions. Compositions of pyroxene in the vicinity of individual spinel grains were obtained by analyzing at least two points on opposite sides of the spinel and averaging the compositions. The pyroxene analyses were obtained within 15 microns of the spinel-pyroxene interface. No compositional gradients were observed within single spinel crystals. Ti concentrations in spinels included within pyroxene, melilite, and anorthite are presented.

Meeker, G. P.↗