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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Multi-Scale Thermo-Mechanical Modeling of Porous 3D Woven TPS Materials

This work summarizes the process to compute and analyze the thermal conductivity and mechanical properties of 3D woven TPS materials such as 3MDCP (3D Mid-Density Carbon-Phenolic). The PuMA [1,2] software, developed at NASA Ames, was used to characterize different 3MDCP samples from their constituents' data, averaging their thermal conductivity and elastic properties in the three main directions to obtain their effective orthotropic thermo-mechanical properties. This was performed in multiple steps: firstly, TPS samples were digitally reconstructed using micro computed tomography (µCT) and their constituents were segmented; then, the porous matrix phase was analyzed at the micro-scale and these results were used, along with the fibers’ constituents information, to model the tows at the meso-scale; finally, results from the constituents were homogenized and used to model the thermo-mechanical behavior of the unit cell at the macro-scale. Additionally, to gain a better understanding of the tows’ morphology and distribution of the carbon-phenolic blended fibers, microscopy images of the tows’ cross-section were segmented using deep learning techniques and analyzed with PuMA. This workflow can be applied to any TPS material to computationally obtain its thermo-mechanical properties, enabling more informed TPS design and manufacturing choices.

Multi-Scale↗
DOE OSTI2025

Data-Driven Tailoring Optimization of Thermoset Polymers Using Ultrasonics and Machine Learning

Thermoset polymers are highly demanded for their structural robustness, thermal stability, and chemical resistance. Tailoring the properties of these polymers for high-performance applications is often preferred to designing brand-new polymers. However, the traditional destructive techniques used to characterize their properties as a function of manufacturing parameters are expensive and time-consuming. A novel non-destructive, data-driven method leveraging ultrasonics and machine learning techniques to tailor the properties of thermosets as a function of the manufacturing parameters is demonstrated. Thermoset epoxy samples with varying curing temperatures (15–40 °C) and curing agent amounts (±40%) were manufactured and tested. Their curing kinetics were monitored by determining the sound speed in the material in real time, while the longitudinal modulus of the samples was determined post-cure. Machine learning models were developed using a k-nearest neighbors algorithm. These models were implemented to predict the curing and final elastic properties using the manufacturing parameters, i.e., stoichiometry and curing temperature, and vice versa. Understanding and modeling how these parameters affect the cure kinetics and final properties will allow for efficient and reliable optimization of thermoset tailoring and manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Anisotropic structure and optical engineering of strontium titanate and zirconia responding to sequential hydrogen and helium irradiation

Unraveling the correlation between strain engineering with anisotropic optical properties via nanoscale defects gradually evolved into a strategy for fundamental studies and technological applications, yet it remains understudied in functional complex oxides compared to metals and semiconductors. Here, the methodology of strain engineering for the determination of the lattice parameters, parallel/normal to the sample surface, in the individual layers of single-crystalline superlattices is derived, which is based on analysis of high-angle X-ray diffraction measurements in combination with diffraction reciprocal space mapping. With modeling that takes into account the effect of elastic properties, two elastically anisotropic materials, SrTiO 3 and ZrO 2 , have been compared in terms of defect-induced elastic strain caused by individual and sequential H + and He 2+ irradiation. The anisotropic lattice swelling with corresponding refractive index, and obstructive behavior of elastic strain recovery are demonstrated in SrTiO 3 , while approaching strain behaviors accompanied by isotropic refractive index distribution in both orientations are confirmed in ZrO 2 . Under sequential He 2+ /H + irradiation, pre-existing He-vacancy complexes acted as vacancy traps, preferentially capturing H + clusters to induce lattice distortion and enhance absorption. Nanohardness increments (ΔH) calculated by the DBH model matched nanoindentation results, confirming that sequential irradiation generated higher indentation yield stress than individual irradiations.

Anisotropic expansion↗
DOE OSTI2026

Ultrasound Characterization of Plastic Bonded Explosives With Varied Binder Content and Density

Advanced explosive formulations and methods of production require rapid characterization for both processes and materials. Here, we present results for ultrasound characterization of a plastic bonded explosive (PBX) formulation as a function of binder weight percent and pressing density using through-transmission sound speed measurements. The explosive in this study was composed of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) combined with the fluoropolymer binder Kynar Ultraflex B. Binder content ranged from 2.6 wt.% to 11.5 wt.% with associated explosive formulation densities from 1.69 g/cc to 1.89 g/cc. We find linear and nonlinear changes in longitudinal and shear sound speeds, peak frequencies, and measured elastic properties for the different PBX formulations. These measured changes can differentiate the tested formulations, highlighting the potential for ultrasound as a nondestructive characterization method for newly-formulated PBXs. We also demonstrate through-transmission measurements using different coupling media and present results from an ultrasound technique called resonant ultrasound spectroscopy (RUS). Both transmission and RUS approaches may allow for rapid and even automated characterization of PBX components suitable for high-throughput manufacturing operations.

Engineering↗
DOE OSTI2025

Developing Machine Learning Interatomic Potential for Fe-Cr-Ni Alloys

Accurate prediction of creep and fatigue behavior of stainless steel at elevated temperatures in hydrogen environment requires fundamental understanding of alloy-hydrogen interaction at cross-scale including bulk lattice and key defects such as vacancies, grain boundaries, surfaces, stacking faults, dislocations, and precipitates. This project aims to predict creep behavior of 347H stainless steel with H using machine learning interatomic potentials based on first-principles density functional theory simulations. The Moment Tensor Potentials platform is adopted for this work since it demonstrates a fine balance between model accuracy and computational efficiency. The potential is well trained based on large amount of high-fidelity density functional theory calculations. The validation is carried out by comparing various important properties including short range order, coefficient of thermal expansion, elastic properties, stacking fault energy, grain boundary energy, and surface energy. This work lays the foundation for reliable atomistic simulation of high temperature hydrogen attack of stainless steel.

density functional theory (DFT)↗
NASA NTRS1974

Elasticity of some mantle crystals structures. III - Spessartite-almandine garnet

Measurements of the pressure dependence of the elastic constants of spessartite-almandine garnet are given. The basis for velocity systematics among the available natural and synthetic garnet data is then examined. As for any dense oxide, the natural anion in garnet is dominant in size. The ionic sizes of the cations in the various sites are used to determine the extent to which it might be expected that garnets of different chemical formulas are analogous in elastic properties. The results are used to predict that the elastic velocities in garnet-transformed MgSiO3 are the same as those in pyrope (Mg3Al2Si3O12).

Wang, H.↗
NASA NTRS2005

Buckling of Carbon Nanotube-Reinforced Polymer Laminated Composite Materials Subjected to Axial Compression and Shear Loadings

A multi-scale method to predict the stiffness and stability properties of carbon nanotube-reinforced laminates has been developed. This method is used in the prediction of the buckling behavior of laminated carbon nanotube-polyethylene composites formed by stacking layers of carbon nanotube-reinforced polymer with the nanotube alignment axes of each layer oriented in different directions. Linking of intrinsic, nanoscale-material definitions to finite scale-structural properties is achieved via a hierarchical approach in which the elastic properties of the reinforced layers are predicted by an equivalent continuum modeling technique. Solutions for infinitely long symmetrically laminated nanotube-reinforced laminates with simply-supported or clamped edges subjected to axial compression and shear loadings are presented. The study focuses on the influence of nanotube volume fraction, length, orientation, and functionalization on finite-scale laminate response. Results indicate that for the selected laminate configurations considered in this study, angle-ply laminates composed of aligned, non-functionalized carbon nanotube-reinforced lamina exhibit the greatest buckling resistance with 1% nanotube volume fraction of 450 nm uniformly-distributed carbon nanotubes. In addition, hybrid laminates were considered by varying either the volume fraction or nanotube length through-the-thickness of a quasi-isotropic laminate. The ratio of buckling load-to-nanotube weight percent for the hybrid laminates considered indicate the potential for increasing the buckling efficiency of nanotube-reinforced laminates by optimizing nanotube size and proportion with respect to laminate configuration.

Riddick, J. C.↗
NASA NTRS1989

Dust coagulation in ISM

Coagulation is an important mechanism in the growth of interstellar and interplanetary dust particles. The microphysics of the coagulation process was theoretically analyzed as a function of the physical properties of the coagulating grains, i.e., their size, relative velocities, temperature, elastic properties, and the van der Waal interaction. Numerical calculations of collisions between linear chains provide the wave energy in individual particles and the spectrum of the mechanical vibrations set up in colliding particles. Sticking probabilities are then calculated using simple estimates for elastic deformation energies and for the attenuation of the wave energy due to absorption and scattering processes.

Chokshi, Arati↗
NASA NTRS1950

The longitudinal stability of elastic swept wings at supersonic speed

The longitudinal stability characteristics of elastic swept wings of high aspect ratio experiencing bending and torsional deformations are calculated for supersonic speed by the application of linearized lifting-surface theory. A parabolic wing deflection curve is assumed and the analysis is simplified by a number of structural approximations. The method is thereby limited in application to wings of high aspect ratio for which the root effects are small. Expressions for the lift, pitching-moment, and span load distribution characteristics are derived in terms of the elastic properties of the wing; namely, the design stress, the modulus of elasticity, the shearing modulus, and the maximum design load factor. The analysis applies to wings with leading edges swept behind the Mach lines. In all cases, however, the trailing edge is sonic or supersonic. Application of the method of analysis to wings with leading edges swept ahead of the Mach lines is discussed.

Frick, C W↗
NASA NTRS2016

Molecular Dynamics Modeling of Carbon Nanotube Composite Fracture Using ReaxFF

Carbon nanotube (CNT) fiber reinforced composites with specific tensile strengths and moduli approaching those of aerospace grade carbon fiber composites have recently been reported. This achievement was enabled by the emerging availability of high N/tex yarns in kilometer-scale quantities. While the production of this yarn is an impressive advance, its strength is still much lower than that of the individual CNTs comprising the yarn. Closing this gap requires understanding load transfer between CNTs at the nanometer dimensional scale. This work uses reactive molecular dynamics simulations to gain an understanding at the nanometer scale of the key factors that determine CNT nanocomposite mechanical performance, and to place more realistic upper bounds on the target properties. While molecular dynamics simulations using conventional force fields can predict elastic properties, the ReaxFF reactive forcefield can also model fracture behavior because of its ability to accurately describe bond breaking and formation during a simulation. The upper and lower bounds of CNT composite properties are investigated by comparing systems composed of CNTs continuously connected across the periodic boundary with systems composed of finite length CNTs. These lengths, effectively infinite for the continuous tubes and an aspect ratio of 13 for the finite length case, result from practical limitations on the number of atoms that can be included in a simulation. Experimentally measured aspect ratios are typically on the order of 100,000, so the calculated results should represent upper and lower limits on experimental mechanical properties. Finally, the effect of various degrees of covalent crosslinking between the CNTs and amorphous carbon matrix is considered to identify the amount of CNT-matrix covalent bonding that maximizes overall composite properties.

Jensen, Benjamin D.↗
NASA NTRS1979

Tensile and flexural strength of nongraphitic superhybrid composites - Predictions and comparisons

Equations are presented and described which can be used to predict bounds on the tensile and flexural strengths of nongraphitic superhybrid (NGSH) composites. These equations are derived by taking into account the measured stress-strain behavior, the lamination residual stresses and the sequence of events leading to fracture. The required input for using these equations includes constituent composites, elastic and strength properties, NGSH elastic properties, cure temperature, and ply stress influence coefficients. Results predicted by these equations are in reasonably good agreement with measured data for strength and for the apparent 'knees' in the nonlinear stress-strain curve. The lower bound values are conservative compared to measured data. These equations are relatively simple and should be suitable for use in the preliminary design and initial sizing of structural components made from NGSH composites.

Chamis, C. C.↗
NASA NTRS2016

Multiscale Modeling of Carbon/Phenolic Composite Thermal Protection Materials: Atomistic to Effective Properties

Next generation ablative thermal protection systems are expected to consist of 3D woven composite architectures. It is well known that composites can be tailored to achieve desired mechanical and thermal properties in various directions and thus can be made fit-for-purpose if the proper combination of constituent materials and microstructures can be realized. In the present work, the first, multiscale, atomistically-informed, computational analysis of mechanical and thermal properties of a present day - Carbon/Phenolic composite Thermal Protection System (TPS) material is conducted. Model results are compared to measured in-plane and out-of-plane mechanical and thermal properties to validate the computational approach. Results indicate that given sufficient microstructural fidelity, along with lowerscale, constituent properties derived from molecular dynamics simulations, accurate composite level (effective) thermo-elastic properties can be obtained. This suggests that next generation TPS properties can be accurately estimated via atomistically informed multiscale analysis.

Materials Science↗
NASA NTRS1972

Multidisciplinary research leading to utilization of extraterrestrial resources

Progress of the research accomplished during fiscal year 1972 is reported. The summaries presented include: (1) background analysis and coordination, (2) surface properties of rock in simulated lunar environment, (3) rock failure processes, strength and elastic properties in simulated lunar environment, (4) thermal fragmentation, and thermophysical and optical properties in simulated lunar environment, and (5) use of explosives on the moon.

Source record↗
NASA NTRS1992

Sensitivity of the coefficients of thermal expansion of selected graphite reinforced composite laminates to lamina thermoelastic properties

An analytical study of the sensitivity of the laminate coefficient of thermal expansion, CTE, to changes in lamina elastic properties has been made. High modulus graphite/epoxy (P75/934, P100/934, P120/934), graphite/aluminum (P100/Al), and graphite/glass (HMS/Gl) composite materials were considered in quasi-isotropic, low thermal stress, and 'near-zero' thermal expansion laminate configurations. The effects of a positive or negative 10 percent change in lamina properties on laminate CTE is strongly dependent upon both the composite material and the laminate configuration. A 10 percent change in all of the lamina properties had very little effect on the laminate CTE of the HMS/Gl composite laminates investigated. The sensitivity and direction of change in the laminate CTE of Gr/934 depended very strongly on the fiber properties. A 10 percent change in the lamina transverse CTE resulted in changes as large as 0.216 ppm/C in the laminate CTE of a quasi-isotropic Gr/934 laminate. No significant difference was observed in the sensitivity of the laminate CTE of the P100/934 and P120/934 composite materials due to changes in lamina properties. Large changes in laminate CTE can result from measured temperature and radiation effects on lamina properties.

Tompkins, S. S.↗
NASA NTRS1973

Rock physics properties of some lunar samples

Linear strains and acoustic velocity data for lunar samples under uniaxial and hydrostatic loading are presented. Elastic properties are presented for 60335,20; 15555,68; 15498,23; and 12063,97. Internal friction data are summarized for a number of artificial lunar glasses with compositions similar to lunar rocks 12009, 12012, 14305, 15021, and 15555. Zero porosity model-rock moduli are calculated for a number of lunar model-rocks, with mineralogies similar to Apollo 12, 14, and 16 rocks. Model-rock calculations indicate that rock types in the troctolitic composition range may provide reasonable modeling of the lunar upper mantle. Model calculations involving pore crack effects are compatible with a strong dependence of rock moduli on pore strain, and therefore of rock velocities on nonhydrostatic loading. The high velocity of rocks under uniaxial loading appears to be compatible with, and may aid in, interpretation of near-surface velocity profiles observed in the active seismic experiment.

Warren, N.↗