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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
NASA NTRS1999

Numerical Modeling of Three-Dimensional Fluid Flow with Phase Change

We present a numerical method to compute phase change dynamics of three-dimensional deformable bubbles. The full Navier-Stokes and energy equations are solved for both phases by a front tracking/finite difference technique. The fluid boundary is explicitly tracked by discrete points that are connected by triangular elements to form a front that is used to keep the stratification of material properties sharp and to calculate the interfacial source terms. Two simulations are presented to show robustness of the method in handling complex phase boundaries. In the first case, growth of a vapor bubble in zero gravity is studied where large volume increase of the bubble is managed by adaptively increasing the front resolution. In the second case, growth of a bubble under high gravity is studied where indentation at the rear of the bubble results in a region of large curvature which challenges the front tracking in three dimensions.

Esmaeeli, Asghar↗
NASA NTRS2010

Empirical Method to Estimate Hydrogen Embrittlement of Metals as a Function of Hydrogen Gas Pressure at Constant Temperature

High pressure Hydrogen (H) gas has been known to have a deleterious effect on the mechanical properties of certain metals, particularly, the notched tensile strength, fracture toughness and ductility. The ratio of these properties in Hydrogen as compared to Helium or Air is called the Hydrogen Environment Embrittlement (HEE) Index, which is a useful method to classify the severity of H embrittlement and to aid in the material screening and selection for safety usage H gas environment. A comprehensive world-wide database compilation, in the past 50 years, has shown that the HEE index is mostly collected at two conveniently high H pressure points of 5 ksi and 10 ksi near room temperature. Since H embrittlement is directly related to pressure, the lack of HEE index at other pressure points has posed a technical problem for the designers to select appropriate materials at a specific H pressure for various applications in aerospace, alternate and renewable energy sectors for an emerging hydrogen economy. Based on the Power-Law mathematical relationship, an empirical method to accurately predict the HEE index, as a function of H pressure at constant temperature, is presented with a brief review on Sievert's law for gas-metal absorption.

Lee, Jonathan A.↗
DOE OSTI2025

Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo

Topological insulators are characterized by insulating bulk states and robust metallic surface states. Band inversion is a hallmark of topological insulators. At time-reversal invariant points in the Brillouin zone, spin–orbit coupling (SOC) induces a swapping of orbital character at the bulk band edges. Reliably detecting band inversion in solid-state systems with many-body methods would aid in identifying possible candidates for spintronics and quantum computing applications and improve our understanding of the physics behind topologically nontrivial systems. Density functional theory (DFT) methods are a well-established means of investigating these interesting materials due to their favorable balance of computational cost and accuracy but often struggle to accurately model the electron–electron correlations present in the many materials containing heavier elements. In this work, we develop a novel method to detect band inversion within continuum quantum Monte Carlo (QMC) methods that can accurately treat the electron correlation and spin–orbit coupling that are crucial to the physics of topological insulators. Our approach applies a momentum-space-resolved atomic population analysis throughout the first Brillouin zone utilizing the Löwdin method and the one-body reduced density matrix produced with diffusion Monte Carlo (DMC). We integrate this method into QMCPACK, an open source ab initio QMC package, so that these ground-state methods can be used to complement experimental studies and validate prior DFT work on predicting the band structures of correlated topological insulators. Here, we demonstrate this new technique on the topological insulator bismuth telluride, which displays band inversion between its Bi-p and Te-p states at the Γ-point. We show an increase in charge on the bismuth-p orbital and a decrease in charge on the tellurium-p orbital when comparing band structures with and without SOC. Additionally, we use our method to compare the degree of band inversion present in monolayer Bi 2 Te 3 , which has no interlayer van der Waals interactions, to that seen in the bilayer and bulk. The method presented here will enable future many-body studies of band inversion that can shed light on the delicate interplay between correlation and topology in correlated topological materials.

Band structure↗
DOE OSTI2026

Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems

While multiconfigurational approaches have long been relegated to expert practitioners working on a case-by-case basis, recent developments have increasingly made these methods more routine and applicable to broader sets of systems. This article outlines the state-of-the-art in multiconfigurational approaches, with an emphasis on moving from delicate hand-selected pathways through configuration space toward more robust and efficient approaches to treating a host of challenging chemical systems accurately. First, we overview recent work in automated active-space selection, which has enabled increasingly large-scale applications of multireference methods to modeling vertical excitations and reactivity. Second, we highlight the increasingly efficient methods for recovering correlation energy beyond the active space, as headlined by extensions of pair-density functional theory and its role in accurate and efficient treatment of excited-state dynamics and its utilization to train machine-learned potentials. Finally, we highlight recent efforts to treat extended systems that until recently have lied beyond the traditional limits of active-space methods, giving center stage to product-form wave functions of the localized active space family of methods that allow for the computation of multiconfigurational band structures. These recent advancements point to a broader use of multireference approaches for high-impact chemical and materials science applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

Monitoring crack extension in fracture toughness tests by ultrasonics

An ultrasonic method was used to observe the onset of crack extension and to monitor continued crack growth in fracture toughness specimens during three point bend tests. A 20 MHz transducer was used with commercially available equipment to detect average crack extension less than 0.09 mm. The material tested was a 300-grade maraging steel in the annealed condition. A crack extension resistance curve was developed to demonstrate the usefulness of the ultrasonic method for minimizing the number of tests required to generate such curves.

Klima, S. J.↗
NASA NTRS1982

Turbine Engine Hot Section Technology (HOST)

Research and plans concerning aircraft gas turbine engine hot section durability problems were discussed. Under the topics of structural analysis, fatigue and fracture, surface protective coatings, combustion, turbine heat transfer, and instrumentation specific points addressed were the thermal and fluid environment around liners, blades, and vanes, material coatings, constitutive behavior, stress-strain response, and life prediction methods for the three components.

Source record↗
NASA NTRS2013

Quantification of Residual Stress from Photonic Signatures of Fused Silica

A commercially available grey-field polariscope (GFP) instrument for photoelastic examination is used to assess impact damage inflicted upon the outer-most pane of Space Shuttle windows made from fused silica. A method and apparatus for calibration of the stress-optic coefficient using four-point bending is discussed. The results are validated on known material (acrylic) and are found to agree with literature values to within 6%. The calibration procedure is then applied to fused-silica specimens and the stress-optic coefficient is determined to be 2.43 +/- 0.54 x 10(exp -12)/Pa. Fused silica specimens containing impacts artificially made at NASA's Hypervelocity Impact Technology Facility (HIT-F), to simulate damage typical during space flight, are examined. The damage sites are cored from fused silica window carcasses and examined with the GFP. The calibrated GFP measurements of residual stress patterns surrounding the damage sites are presented. Keywords: Glass, fused silica, photoelasticity, residual stress

Cramer, K. Elliott↗
NASA NTRSDate not supplied

Overview of Additively Manufactured TPS Proposed Flight Test and Earth Re-Entry Capsule Design

A flight mechanics overview is presented of an Earth flight test designed to investigate a novel, 3D printed thermal protection system (TPS) that is currently in development at NASA as part of the Additive Manufacturing of Thermal Protection Systems project. The project is pioneering a method to print a thermal protection system onto an entry vehicle forebody one layer at a time. This method reduces labor and complexity as compared to traditional manufacturing methods while increasing mission-dependent customization of through-depth materials properties. The flight test has three objectives. First, subject the forebody stagnation point of a capsule equipped with additively manufactured TPS (AMTPS) material to peak heat fluxes in excess of 100 $W/cm^2$. Second, capture in-flight data to enable flight reconstruction and AMTPS material thermal response model improvement. Third, recover the capsule with data storage and forebody AMTPS intact to enable post-flight inspection and analysis of AMTPS performance. The flight test trajectory is designed to achieve a peak stagnation point, cold-wall, entry heat flux of 135~$W/cm^2$. Flight mechanics simulations are performed using the Program to Optimize Simulated Trajectories II (POST2) and Monte-Carlo analysis yields statistical percentiles on vehicle performance at key points along the trajectory. Based on the flight mechanics analysis presented in this paper, a prototype capsule was designed, partially fabricated, and underwent preliminary component stress testing in preparation for fabrication of the flight unit capsule. The capsule outer mold line is a modified version of the heritage Mars Microprobe geometry. The capsule has a 0.356~m diameter, a 30~kg mass, and a hypersonic ballistic coefficient of 300~$kg/m^2$. Sensor selection is guided by flight dynamics simulations with the goal of resolving the re-entry heating pulse. On-board instrumentation include forebody and aftbody pressure sensors and thermocouples, a 9-axis IMU, a GPS receiver, and an Iridium satellite modem, all of which collect and store data throughout flight via on-board avionics systems. A two-stage parachute system is designed to decelerate the capsule to touchdown velocities that will not result in significant fracture or deformation of the charred AMTPS material at ground impact.

Flight Mechanics↗
NASA NTRS1976

Monitoring crack extension in fracture toughness tests by ultrasonics

An ultrasonic method was used to observe the onset of crack extension and to monitor continued crack growth in fracture toughness specimens during three-point bend tests. A 20-MHz transducer was used with commercially available equipment to detect average crack extension less than 0.09 mm. The material tested was a 300-grade maraging steel in the annealed condition. A crack extension resistance curve was developed to demonstrate the usefulness of the ultrasonic method for minimizing the number of tests required to generate such curves.

Klima, S. J.↗
NASA NTRS2003

Mechanistic Studies Of Combustion And Structure Formation During Combustion Synthesis Of Advanced Materials: Phase Separation Mechanism For Bio-Alloys

Among all implant materials, Co-Cr-Mo alloys demonstrate perhaps the most useful balance of resistance to corrosion, fatigue and wear, along with strength and biocompatibility [1]. Currently, these widely used alloys are produced by conventional furnace technology. Owing to high melting points of the main alloy elements (e.g. Tm.p.(Co) ~1768 K), high-temperature furnaces and long process times (several hours) are required. Therefore, attempts to develop more efficient and flexible methods for production of such alloys with superior properties are of great interest. The synthesis of materials using combustion phenomena is an advanced approach in powder metallurgy [2]. The process is characterized by unique conditions involving extremely fast heating rates (up to 10(exp 6 K/s), high temperatures (up to 3500 K), and short reaction times (on the order of seconds). As a result, combustion synthesis (CS) offers several attractive advantages over conventional metallurgical processing and alloy development technologies. The foremost is that solely the heat of chemical reaction (instead of an external source) supplies the energy for the synthesis. Also, simple equipment, rather than energy-intensive high-temperature furnaces, is sufficient. This work was devoted to experiments on CS of Co-based alloys by utilizing thermite (metal oxide-reducing metal) reactions, where phase separation subsequently produces materials with tailored compositions and properties. Owing to high reaction exothermicity, the CS process results in a significant increase of temperature (up to 3000 C), which is higher than melting points of all products. Since the products differ in density, phase separation may be a gravitydriven process: the heavy (metallic phase) settles while the light (slag) phase floats. The goal was to determine if buoyancy is indeed the major mechanism that controls phase segregation.

Varma, A.↗
DOE OSTI2025

Glauber’s Salt Composites for HVAC Applications: A Study on the Use of the T-History Method with a Modified Data Evaluation Methodology

Phase change materials (PCMs) can be utilized in buildings for peak load shifting in air conditioning systems, and the use of salt hydrate-based PCMs can reduce the cost of thermal energy storage devices. Glauber’s salt is an economical salt hydrate PCM with a melting point of around 32 °C. However, the desired melting range typically falls between 18 and 22 °C for building air conditioning applications. Although many researchers have characterized Glauber’s salt and its composites with modified melting points, enthalpy–temperature curves for composites of Glauber’s salt and NaCl are unavailable. In this study, we report the melting and solidification enthalpy–temperature curves for two different composites of Glauber’s salt and NaCl with a melting point of 21 °C obtained by the T-history method. Both composites contain NaCl to suppress the melting point, borax to reduce supercooling, and sodium polyacrylate as a thickener to enhance cyclic stability. The first composite with 12 wt.% NaCl demonstrated 139 kJ·kg−1 of latent heat of fusion, and the second composite with 9 wt.% NaCl demonstrated 171 kJ·kg−1. Both the composites have high volumetric energy densities compared to their organic counterparts with similar melting points.

Chemistry↗
NASA NTRS1986

Desingularization of periodic vortex sheet roll-up

An analytical approach is used in an attempt to model the evolution of a vortex sheet past the critical time by means of a desingularization method. Evolution of the sheet, which is embedded in a two-dimensional flow, is described by approximating the total circulation between a fixed material point and an imaginary point on the curve of the flow. A linear dispersion relation is defined which shows that the short wavelength modes of the sheet are not unstable and therefore do adversely effect the computations as artifacts of round-off errors. The desingularization approach is demonstrated to converge beyond the critical time for the vortex sheet. Application of the technique for the study of the vortex sheet shed from an elliptically loaded wing is indicated.

Krasny, R.↗
NASA NTRS1992

The challenge of constraining mass for planetary construction

The challenges facing the designers of planetary construction machinery, construction methods, and indigenous construction materials are examined. Machinery and methods are studied from the perspective of mass and power constraints, and indigenous material use is viewed from a technical and mass-benefit vantage point. It is argued that the value of an object on the lunar surface is inexorably linked to its mass due to the high cost of space transportation. Payload capabilities and delivery costs for selected U.S. launch vehicles are given in tabular form. Power vs mass for selected construction vehicles and lunar surface hardware is illustrated. It is concluded that construction materials must be evaluated on their mass-cost of production vs the mass of equal materials delivered direct. Machinery must be designed to be both mass and power efficient, with a premium on performance per unit of mass and power.

Connolly, John F.↗
NASA NTRS2013

Controlled, Site-Specific Functionalization of Carbon Nanotubes with Diazonium Salts

This work uses existing technologies to prepare a crossbar architecture of nano tubes, wherein one nanotube is fixed to a substrate, and a second nanotube is suspended a finite distance above. Both nano tubes can be individually addressed electrically. Application of opposite potentials to the two tubes causes the top tube to deform and to essentially come into contact with the lower tube. Contact here refers not to actual, physical contact, but rather within an infinitesimally small distance referred to as van der Walls contact, in which the entities may influence each other on a molecular and electronic scale. First, the top tube is physically deformed, leading to a potentially higher chemical reactivity at the point of deformation, based on current understanding of the effects of curvature strain on reactivity. This feature would allow selective functionalization at the junction via reaction with diazonium salts. Secondly, higher potential is achieved at the point of "cross" between the tubes. In a pending patent application, a method is claimed for directed self-assembly of molecular components onto the surface of metal or conductive materials by application of potential to the metal or conductive surface. In another pending patent application, a method is claimed for attaching molecules to the surface of nanotubes via the use of reactive diazonium salts. In the present invention, the directed functionalization of the crossed-nanotube junctions by applying a potential to the ends of the nanotubes in the presence of reactive diazonium slats, or other reactive molecular species is claimed. The diazonium salts are directed by the potential existing at the junction to react with the surface of the nanotube, thus placing functional molecular components at the junctions. The crossed nano tubes therefore provide a method of directly addressing the functionalized molecules, which have been shown to function as molecular switches, molecular wires, and in other capacities and uses. Site-specific functionalization may enable the use of nanotubes in molecular electronic applications because device functionality is critical at the cross points.

Tour, James M.↗
DOE OSTI2026

Review on Perovskite Solar Cells: From Single‐Junction Devices to Tandem Deployment in Space

Perovskite solar cells (PSCs) have emerged as a transformative photovoltaic technology, offering high power conversion efficiency (PCE) and the potential for cost-effective manufacturing. However, stability and large-scale manufacturing remain critical challenges that must be addressed for widespread adoption. This review provides a roadmap from single-junction perovskite solar cells to tandem deployment in space. First, material-level innovations are discussed, including mixed-cation and low-dimensional perovskites, transport materials, and additives that improve thermal and structural stability while enhancing efficiency. Then, we examine both established industrial standards and emerging scientific protocols aimed at stabilizing PSCs under operational conditions, including tandem cell integration strategies and encapsulation techniques to mitigate performance degradation. Manufacturing scalability is a focal point, where deposition methods and green solvents are explored to improve large-area film uniformity and reduce environmental impact. Additionally, the increasing viability of PSCs in extraterrestrial environments is assessed, with emphasis on their performance in space applications, radiation resistance, and flexible lamination methods for deployment in extreme conditions. Progress across materials innovation, device architectures, stability testing protocols, and both terrestrial and extraterrestrial applications collectively drives perovskite photovoltaics toward higher efficiency, stability, and cost-effectiveness.

flexible PSCs↗
NASA NTRS1974

Isothermal transitions of a thermosetting system

A study of the curing reactions of a cycloaliphatic epoxy resin/anhydride system by torsional braid analysis showed the existence of two critical isothermal temperatures - namely, the maximum glass transition temperature of the thermoset system and the glass transition temperature of the material at its gel point. Two rheologically active kinetic transitions occur during isothermal cure which correspond to gelation and vitrification. Three types of isothermal behavior occur. Methods for determining the time to gel and the time to vitrify, and also the two above-mentioned critical isothermal temperatures, have been developed. The time to gel obeyed the Arrhenius relationship, whereas the time to vitrify passed through a minimum. Application of these results to thermosetting systems in general is discussed in terms of the influence of molecular structure on the values of the critical isothermal temperatures.

Gillham, J. K.↗
NASA NTRS1975

Program for analysis of nonlinear equilibrium and stability (PANES)

PANES utilizes improved techniques for analysis of structures with material and geometric nonlinearities, including limit point and bifurcations behavior which occurs in buckling and collapse problems. Incremental loading, Newton-Raphson iteration, and higher order methods are used in program.

Vos, R. G.↗
NASA NTRS1980

Development of thermal energy storage units for spacecraft cryogenic coolers

Thermal Energy Storage Units were developed for storing thermal energy required for operating Vuilleumier cryogenic space coolers. In the course of the development work the thermal characteristics of thermal energy storage material was investigated. By three distinctly different methods it was established that ternary salts did not release fusion energy as determined by ideality at the melting point of the eutectic salt. Phase change energy was released over a relatively wide range of temperature with a large change in volume. This strongly affects the amount of thermal energy that is available to the Vuilleumier cryogenic cooler at its operating temperature range and the amount of thermal energy that can be stored and released during a single storage cycle.

Richter, R.↗