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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Micro–macro finite element modeling method for rub response in abradable coating materials

Gas turbine engines experience “rub” when the rotating blades come in contact with a static abradable coating. This results in extreme strain rates and dynamics inside a high-temperature/high-pressure environment. Current rub models are phenomenological and do not reflect the underlying microstructures, thus limiting their prediction accuracy. In this work, a microstructure-informed, reduced order modeling framework is introduced for simulating abradable coating “rub" behavior. This framework comprises a microscale model constructed based on digitized abradable microstructure and explicitly simulates the mechanical behavior of each constituent phases and their interactions. After calibration and validation with experiment data, the calibrated microscale model is used to generate data across a vast range of applied strain rates and temperature with various load paths. Then, the virtually generated data are used to fit the macroscopic-reduced order model, which enables fast component scale rub simulation without compromising the integrity of the complex material behavior. In conclusion, the proposed effort will address the technical challenge of predicting abradable material behavior during rub through the application of multiscale modeling from microstructure to engines behavior, effectively reducing the development costs and time of new abradable material for better “rub” properties.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Sporadic mass ejection in red supergiants

A general mechanism first proposed by Burke (1969) is applied to red supergiants for determining the spin-down rate and angular-momentum loss of rotating stars. This model relies principally on sporadic mass ejection, which is assumed to be the result of turbulent elements accelerating material in cool supergiant atmospheres. Mass is preferentially expelled in the forward direction of rotation, resulting in a rapid loss of angular momentum on time scales of 10,000 to 1 million years in the supergiant evolutionary phase. Such rotational breaking will occur if the turbulent elements have characteristic sizes a few percent of the stellar radius and rms velocities one-third the escape speed of the star. This model predicts the formation of a cool silicate disk or torus around the star because of the preferred expulsion of material near equatorial regions of the supergiant.

Kafatos, M.↗
NASA NTRS1987

Element abundances in the interstellar atomic material

In the interstellar medium, a significant fraction of the free atoms for elements heavier than helium must have condensed into solids, in the form of small, interstellar dust grains. Observations of optical and ultraviolet absorption lines in the spectra of hot stars indicate that the depletions below the cosmic abundances of various elements range from almost none at all to a factor of 0.0001 and seem to be enhanced along lines of sight with higher mean density. Other methods of measuring abundances confirm the absorption line results. The available evidence supports the notion that the grains form in both the atmospheres of cool stars and in dense interstellar clouds, and they are destroyed by shocks which frequently pass through the low density gas.

Jenkins, Edward B.↗
DOE OSTI2021

Toward a least-effort principle for evaluating prices of elements as indicators of sustainability

In this article, we explore simplifying mechanisms in materials economics for conceptionally organizing the flows of chemical elements into society. We use the concept of rank, which plays a crucial role in information theory where power laws are involved, and is a useful measure for seeking extremal principles. Borrowing from an analogy to Zipf’s law leads to a power-law relationship between abundance and rank that—pressing the Zipf’s law analogy further—may suggest that the price paid for elemental materials optimizes efficient utilization. Factors such as weight, volume, and moles in the earth's crust or in global mining production of elements are used in our analysis. For this research, 42 elements with price and production data for the year 2010 (a relatively typical year) were considered. We observe that the role of the volume from global mining production dominates in materials economics and indicate that elements such as Te and He should be sold at prices at leas ~ 100–1000 times more than their present price for efficient utilization.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1974

Rolling-element fatigue life of silicon nitride balls

The five-ball fatigue tester was used to evaluate silicon nitride as a rolling-element bearing material. Results indicate that hot-pressed silicon nitride running against steel may be expected to yield fatigue lives comparable to or greater than those of bearing quality steel running against steel at stress levels typical rolling-element bearing application. The fatigue life of hot-pressed silicon nitride is considerably greater than that of any ceramic or cermet tested. Computer analysis indicates that there is no improvement in the lives of 120-mm-bore angular--contact ball bearings of the same geometry operating at DN values from 2 to 4 million where hot-pressed silicon nitride balls are used in place of steel balls.

Parker, R. J.↗
NASA NTRS1992

A Backscatter Moessbauer Spectrometer (BaMS) for use on Mars

The use of Moessbauer spectroscopy for in situ analysis on the surface of Mars was proposed and the design and implementation of a backscatter Moessbauer spectrometer (BaMS) instrument suitable for planetary missions to the surfaces of Mars (MESUR), the Moon (Artemis and lunar outpost), asteroids, or other solid solar system objects is discussed. The BaMS instrument is designed to be capable of analysis of a sample for the mineralogy of its iron-bearing phases without any sample preparation. A requirement of lander missions to Mars is instrumentation for in situ mineralogical analyses. Such analyses provide data needed for primary characterization as to the type of surface materials present and by inference the processes that formed and subsequently modified them. For purposes of providing diagnostic information about naturally occurring materials, the element iron is particularly important because it is abundant and multivalent (primarily 0, +2, and +3 oxidation states). Knowledge of the oxidation state of iron and its distribution among iron-bearing mineralogies tightly constrains the types of materials present. The pivotal role of iron was already recognized in 1978 by COMPLEX, who recommended development of flight instruments that would identify mineralogy and the oxidation state of iron in planetary surface materials. The near-term U.S. strategy for the exploration of Mars is the MESUR (Mars Environmental SURvey) program, which entails emplacement of a network of small, long-lived surface landers. For the Moon, BaMS was recommended as part of a three-instrument landed payload for the Artemis missions, targeted for 1997. BaMS would prospect for ilmenite, an oxygen resource material, and provide data to assess the maturity of lunar soil. Because instrumental characteristics are low mass, low volume, and low power consumption, BaMS is suitable for implementation on even small landers and rovers, as are being envisioned in MESUR and Artemis concepts. In addition to providing highly diagnostic data, a BaMS analyzer is inherently simple and, as is highly desirable for remote operation, no sample preparation is required.

Agresti, D. G.↗
DOE OSTI2022

Generalized thermo-mechanical framework for heterogeneous materials through asymptotic homogenization

Abstract A fundamental understanding of the interaction between microstructure and underlying physical mechanisms is essential, especially for developing more accurate multi-physics models for heterogeneous materials. Effects of microstructure on the material response at the macroscale are modeled by using the generalized thermomechanics. In this study, strain gradient theory is employed as a higher-order theory on the macroscale with thermodynamics modeled as a first-order theory on the microscale. Hence, energy depends only on the temperature such that we circumvent an extension of Fourier’s law and analyze the “simplest” thermo-mechanical model in strain gradient elasticity. Developing multiphysics models for heterogeneous materials is indeed a challenge and even this “simplest” model in generalized thermomechanics creates dozens of parameters to be determined. We develop a thermo-mechanical framework, in which microstructure is modeled as a periodic structure and through asymptotic homogenization approach, higher-order parameters at macroscopic scale are calculated. To illustrate the importance of higher-order parameters in overall thermo-mechanical response of a heterogeneous materials, finite element method (FEM) is employed with the aid of open-source codes (FEniCS). Verification example of a bulk system and several case studies of porous structures demonstrate how such numerical framework can be beneficial in the design of materials with tailored microstructures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Geant4 Material Definition

In Geant4, materials are defined using elements (G4Element) and isotopes (G4Isotope), supporting both single-element compositions and multi-element molecules or mixtures (by mass fraction). Each material is characterized by a mandatory density condition and optional parameters, such as state, temperature, and pressure. To simplify material definition and ensure accuracy, the G4NistManager is recommended for retrieving elements and materials from the NIST Material Database. These features make material specification in Geant4 flexible, efficient and consistent for describing complex detector geometry descriptions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Recent Advances in Nuclear Forensic Chemistry

Nuclear forensics is a rapidly growing field with a widespread impact on global nonproliferation. From the beginning, nuclear forensic capabilities have been inextricably bound to existing limitations within chemistry and materials science. As nuclear forensics has continued to develop as a unique field of research, new advances in chemistry have revolutionized our ability to rapidly and quantitatively analyze radioactive materials for attribution. In particular, microanalytical techniques originally developed for nanoscience, such as micro-XRF, SIMS, and SEM-EDX, have enabled spatially resolved chemical analyses to be performed with only nanograms of material. Such techniques have redefined the paradigm for pre- and postdetonation nuclear forensics, as large quantities of material are no longer necessary for full characterization and attribution. This Review explains how modern nuclear forensic techniques have developed from their origins in chemistry and provides real-world examples of how these techniques have been used to characterize radioactive materials, including fallout from nuclear detonations such as the 1945 Trinity test.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NASA NTRS2005

Three-System Isotopic of Lunar Norite 78238: Rb-Sr Results

The duration of lunar magma ocean (LMO) crystallization is poorly constrained (Fig. 1). Three techniques employed to determine the age of LMO solidification are 1) dating ferroan anorthosites (FANs), thought to be primary cumulates from the LMO, 2) calculating model ages for KREEP, the most incompatible element enriched material that remained after approx.99.5% of the LMO crystallized [1], and 3) constraining the age of the oldest KREEP-rich magnesium suite (Mg-suite) or alkali suite rock. Dating FANs is difficult because the samples are essentially monomineralic and contain low abundances of many elements used in isotopic dating. In addition, the young ages determined for some FANs may be related to impact metamorphism, potentially making FANs non-ideal for dating the age of LMO crystallization (e.g., [2]). Model ages for KREEP formation are dependent on the assumptions of the initial isotopic composition and parent/daughter ratio of the source. However, lunar rocks are susceptible to isotopic resetting and volatile element loss during shock, and are therefore unlikely to yield consistent model LMO crystallization ages (e.g., [3]). Rocks from the Mg-suite contain KREEP, indicating that they formed after LMO crystallization, and have old ages that indicate they formed almost immediately after the LMO crystallized (Fig. 1). Therefore, precisely dating the oldest Mg-suite rock is a promising way to constrain the age of LMO solidification.

Edmundson, J.↗
DOE OSTI2022

A novel post-processing method for progressive failure analysis of brittle composite compression

Finite element analysis of brittle materials in axial compression typically uses element deletion to allow continued global deformation post-element-failure. However, element deletion produces cyclic load-displacement curves that underestimate energy absorption and are not representative of a continuum system. Two key observations support the conclusion that results from an appropriately discretized model can be an adequate representation of a continuum system. Specifically, the frequency of the oscillations in the load-displacement curve is directly dependent upon element length in the loading direction, and the peak amplitudes of oscillations are mesh size independent. A method of post-processing the analysis results, by connecting the peak amplitudes of oscillations, is proposed and applied to a series of continuous carbon fiber composite crush tubes. The load-displacement curve, stable crushing load, and specific energy absorption of the post-processed results compare well to an experimental study of crush tubes with similar layups.

Materials Science↗
NASA NTRS2018

Thermophysical Properties of Nickel-Based Superalloys

The NASA Marshall Space Flight Center (MSFC) electrostatic levitation (ESL) laboratory has a long history of providing materials research and thermophysical property data. The lab can measure thermophysical properties such as density, surface tension, and viscosity of liquid materials, including elements, alloys, glasses, ceramics, and oxides. Nickel-based superalloys (e.g. Inconel, Hastelloy, and Waspaloy) have many high performance applications, including turbine engines for aerospace. Superalloy parts are typically manufactured by casting and forging. These processes generate both polycrystalline and monocrystalline parts. A relatively new method of fabrication of turbine disk materials is additive manufacturing, which is typically done for aerospace parts by powder-bed methods such as selective laser melting (SLM). Accurate modeling of casting and forging, as well as additively manufacturing processes, require thermophysical properties (density, surface tension, and viscosity). The thermophysical properties of liquid nickel-based superalloys, both conventional and additively manufactured, were measured at several temperatures in both undercooled and superheated condition. Surface tension and viscosity was measured using the oscillating drop method and density and thermal expansion was measured using edge detection methods.

SanSoucie, Michael P.↗
NASA NTRS1994

Preparation And Analysis Of Specimens Of Ablative Materials

Procedure for chemical analysis of specimens of silicone-based ablative thermal-insulation materials SLA-561 and MA25 involves acid digestion of specimens to prepare them for analysis by inductively-coupled-plasma/atomic-emission spectroscopy (ICP/AES). In comparison with atomic-absorption spectroscopy (AAS), ICP/AES is faster and more accurate than AAS. Results of analyses stored in data base, used to trace variations in concentrations of chemical elements in materials during long-term storage, and used in timely manner in investigations of failures. Acid-digestion portion of procedure applied to other thermal-insulation materials containing room-temperature-vulcanizing silicones and enables instrumental analysis of these materials.

Solomon, William C.↗
DOE OSTI2021

Conduction Heat Transfer through Solid in Porous Materials: A Comparative Study by Finite-Element Simulations and Effective Medium Approximations

The development of insulation materials with low effective thermal conductivity is essential for energy savings in various applications, including buildings, food services, pipe insulation, and refrigeration. Such materials can be developed by using micro- or nanoporous structures, as well as low-thermal conductivity gases and/or reduced pressure. A variety of effective medium approximation (EMA) models have been developed to study thermal transport through solid in porous structures. However, in many cases, the impacts of porosity on solid conduction are not well predicted by EMA models because of the assumptions made for simplification. Furthermore, the results can vary by a factor of up to 1.5, depending on the morphology of the pores. Hence, proper guidance is needed to choose the appropriate EMA model for a given morphology. This work presents a finite element method study using COMSOL Multiphysics software for various geometries, including hollow cubes, overlapping hollow spheres (normally stacked and tightly packed), and Voronoi structures, and compares the results to those obtained from various EMA models. Simulation results for the hollow cubes and Voronoi structures matched well with the Maxwell-Eucken and Russell model. The results for hollow spheres closely matched the Bauer model and the Glicksman model with fitting parameters. This work provides guidance on analyzing and designing insulation materials for energy savings in the future.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Multiphase tin equation of state using density functional theory

In this work, we perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasiharmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) simulations of the liquid phase, including those of the melt curve using the Z method. Using the DFT results, we construct a tabular multiphase sesame equation of state for tin, referred to as sesame 2162. Comparisons to experimental data are made and show a high level of agreement in isobaric data, isothermal data, shock data, and phase boundary measurements, including measurements of the melt curve. The 2162 EOS will be useful for hydrodynamics simulations and has been designed with an eye toward hydrodynamics simulations that incorporate materials strength models and allow for modeling of the kinetics of phase transitions.

3-dimensional systems↗
DOE OSTI2024

Photochemically induced acousto-optics in gases

Acousto-optics consists of launching acoustic waves in a medium (usually a crystal) in order to modulate its refractive index and create a tunable optical grating. Here, in this article, we present the theoretical basis of an alternative scheme to generate acousto-optics in a gas, where the acoustic waves are initiated by the localized absorption (and thus gas heating) of spatially modulated UV light, as was demonstrated by Michine and Yoneda [Commun. Phys. 3, 24 (2020)]. We identify the chemical reactions initiated by the absorption of UV light via the photodissociation of ozone molecules present in the gas, and calculate the resulting temperature increase in the gas as a function of space and time. Solving the Euler fluid equations shows that the modulated, isochoric heating initiates a mixed acoustic-entropy wave in the gas, whose high-amplitude density (and thus refractive index) modulation can be used to manipulate a high-power laser. We calculate that diffraction efficiencies near 100% can be obtained using only a few millimeters of gas containing a few percent ozone fraction at room temperature, with UV fluences of less than 100 mJ/cm 2 —consistent with the experimental measurements. Our analysis suggests possible ways to optimize the diffraction efficiency by changing the buffer gas composition. Gases have optics damage thresholds 2–3 orders of magnitude beyond those of solids; these optical elements should therefore be able to manipulate kilojoule-class lasers.

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

Electronic and optical properties of crystalline nitrogen versus black phosphorus: A comparative first-principles study

We report crystalline black nitrogen (BN) is an allotrope of nitrogen with the black phosphorus (BP) structure recently synthesized at high pressure by two independent research groups. Here, we present a systematic study of the electronic and optical properties of BN focusing on its comparison with BP. To this end, we use the state-of-the-art quasiparticle self-consistent GW approach with vertex corrections in both the electronic and optical channels. Despite many similarities, the properties of BN are found to be considerably different. Unlike BP, BN exhibits a larger optical gap (2.5 vs 0.26 eV), making BN transparent in the visible spectral region with a highly anisotropic optical response. This difference can be primarily attributed to a considerably reduced dielectric screening in BN, leading to enhancement of the effective Coulomb interaction. Despite relatively strong Coulomb interaction, exciton formation is largely suppressed in both materials. Our analysis of the elastic properties shows exceptionally high stiffness of BN, comparable to that of diamond.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

High Temperature Material Properties Measurement Capabilities of the MSFC Electrostatic Levitation (ESL) Laboratory

The NASA Marshall Space Flight Center (MSFC) electrostatic levitation (ESL) laboratory has a long history of providing materials research and thermophysical property data. The lab can measure thermophysical properties, such as density, surface tension, and viscosity of liquid materials, including elements, alloys, glasses, ceramics, and oxides. For improved measurement quality, the ESL lab also has an oxygen control system, which allows the oxygen partial pressure within the vacuum chamber to be measured and controlled, at elevated temperatures, over a wide range of partial pressures. The surface tension of metals is affected by even a small amount of adsorption of oxygen, and the presence of oxygen has been hypothesized as a likely cause for the large scatter seen in published surface tension data. This presentation will cover the MSFC ESL lab, its high temperature material properties measurement capabilities, and some information about measurements done on alloys relevant to additive manufacturing.

Michael SanSoucie↗