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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

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 OSTI2024

Level-set topology optimization with PDE generated conformal meshes

This paper presents a level-set topology optimization approach that uses conformal meshes for the analysis of the displacement field. The structure’s boundary is represented by the iso-contour of a level-set field discretized on a fixed background design mesh. The conformal mesh is updated for each design iteration via a PDE based mesh morphing process that identifies the set of facets in the background mesh that are homeomorphic to the boundary and relaxes the homeomorphic mesh to conform to the structure’s boundary and ensure high element quality. The conformal mesh allows for a more accurate computation of the response versus density and some level-set based methods which interpolate material properties using the volume fraction. Numerical examples illustrate the proposed approach by optimizing linear-elastic two- and three-dimensional structures, wherein insight into the performance of the mesh morphing process is provided. The examples also highlight the scalability of the approach.

42 ENGINEERING↗
DOE OSTI2025

Characterizing and modeling the mechanical behavior of an anion exchange membrane for carbon capture applications

A new direct air capture (DAC) technology uses a moisture swing (MS) process with anion exchange membranes, potentially offering a more energy-efficient way to remove CO₂ from the air. In this MS process, the membrane absorbs CO₂ as it dries and releases it when water is added. Understanding the mechanical behavior of these membranes is essential for improving the design and efficiency of DAC systems and prolonging sorbent lifetime. This study tested one anion exchange membrane, Fumasep’s FAA-3, under mechanical loading and various temperature and humidity conditions to measure its swelling, stiffness, strength, plastic deformation, and stress relaxation. Experimental results were used to identify a mechanical model for FAA-3 that can be used to predict the material’s nonlinear viscous behavior under various loads and environments. Unlike prior studies that assumed linear elastic behavior, this work incorporates humidity-dependent swelling, thermal expansion, and nonlinear viscoelasticity of FAA-3 in both the experiments and the model.

Direct air capture↗
DOE OSTI2020

Neural network potential from bispectrum components: A case study on crystalline silicon

In this article, we present a systematic study on developing machine learning force fields (MLFFs) for crystalline silicon. While the main-stream approach of fitting a MLFF is to use a small and localized training set from molecular dynamics simulations, it is unlikely to cover the global features of the potential energy surface. Additionally, to remedy this issue, we used randomly generated symmetrical crystal structures to train a more general Si-MLFF. Furthermore, we performed substantial benchmarks among different choices of material descriptors and regression techniques on two different sets of silicon data. Our results show that neural network potential fitting with bispectrum coefficients as descriptors is a feasible method for obtaining accurate and transferable MLFFs.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding the phase transformation mechanisms that affect the dynamic response of Fe-based microstructures at the atomic scales

Large-scale molecular dynamics (MD) simulations were carried out to investigate the shock-induced evolution of microstructure in Fe-based systems comprising single-crystal and layered Cu/Fe alloys with a distribution of interfaces. The shock compression of pure single-crystal Fe oriented along [110] above a threshold pressure results in a BCC (α)→HCP (ε) phase transformation behavior that generates a distribution of ε phase variants in the phase transformed region of the microstructure behind the shock front. The propagation of the release wave through a phase transformed ε phase causes a reverse ε→α phase transformation and renders a distribution of twins for the [110] oriented Fe that serve as void nucleation sites during spall failure. The simulations reveal that the α→ε→α transformation-induced twinning for shock loading along the [110] direction is due to a dominant ε phase variant formed during compression that rotates on the arrival of the release wave followed by a reverse phase transformation to twins in the α phase. The modifications in the evolution of the ε phase variants and twins in Fe behavior are also studied for Cu–Fe layered microstructures due to the shock wave interactions with the Cu/Fe interfaces using a newly constructed Cu–Fe alloy potential. Here, the MD simulations suggest that interfaces affect the observed variants during shock compression and, hence, distributions of twins during shock release that affects the void nucleation stresses in the Fe phase of Cu/Fe microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Acoustic properties, elasticity, and equation of state of glycerol under pressure

Herein we employed high-pressure Brillouin scattering to study the pressure dependencies of acoustic modes of glycerol up to 14 GPa at 300 K. We observed longitudinal acoustic velocities and transverse acoustic velocities for the first time from 5 to 14 GPa. The results allow the determination of a complete set of elastic properties and an accurate determination of the pressure–volume (P–V) equation of state (EOS). EOS parameters, K 0 = 14.9 ± 1.8 GPa and K' 0 = 5.6 ± 0.5, were determined from fits to the data from ambient pressure to 14 GPa. Direct volume measurements of the P–V EOS are consistent with those determined by Brillouin scattering. A deviation from a Cauchy-like relationship for elastic properties was observed, and the pressure dependencies of the photoelastic constants and relaxation times were documented from 5 to 14 GPa. These results have broad implications for glass-forming liquids, viscoelastic theory, and mode coupling theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Phase separation and ripening in a viscoelastic gel

The process of phase separation in elastic solids and viscous fluids is of fundamental importance to the stability and function of soft materials. We explore the dynamics of phase separation and domain growth in a viscoelastic material such as a polymer gel. Using analytical theory and Monte Carlo simulations, we report a domain growth regime in which the domain size increases algebraically with a ripening exponent α that depends on the viscoelastic properties of the material. For a prototypical Maxwell material, we obtain α = 1 , which is markedly different from the well-known Ostwald ripening process with α = 1 / 3 . We generalize our theory to systems with arbitrary power-law relaxation behavior and discuss our findings in the context of the long-term stability of materials as well as recent experimental results on phase separation in cross-linked networks and cytoskeleton.

Science & Technology - Other Topics↗
DOE OSTI2021

Excitons in strained and suspended monolayer WSe 2

Here, we study suspended membranes of atomically thin WSe 2 as hosts of excitons. We perform optical reflectance measurements to probe the exciton physics and obtain the peak energies for the 1$s$, 2$s$, and 3$s$ states of the $A$ exciton in suspended WSe 2 and consider supported membranes as a reference. We find that elimination of the influence of the dielectric environment enables a strong electron–hole interaction and a concomitant increase in the exciton binding energy in suspended monolayer (1L) WSe 2 . Based on the experimental results, we calculate the excitonic binding energies by employing the recently developed quantum electrostatic heterostructure model and the commonly employed Rytova–Keldysh potential model. We see that the binding energy of the ground state $A$ exciton increases from about 0.3 eV (on a substrate) to above 0.4 eV (suspended). We also exploit the tunability of the excitons in suspended samples via mechanical strain. By applying external gas pressure of 2.72 atm to a 1L suspended over a circular hole of 8 μm diameter, we strain the WSe 2 and obtain a reversible 0.15 eV redshift in the exciton resonance. The linewidth of the $A$ exciton decreases by more than half, from about 50 to 20 meV under 1.5% biaxial strain at room temperature. This line narrowing is due to the suppression of intervalley exciton–phonon scattering. By making use of the observed strain-dependent optical signatures, we infer the two-dimensional (2D) elastic moduli of 1L and 2L WSe 2 . Our results exemplify the use of suspended 2D materials as novel systems for fundamental studies, as well as for strong and dynamic tuning of their optical properties.

36 MATERIALS SCIENCE↗
NASA NTRS1972

A monostrain test apparatus

Test apparatus is designed for determining tensile strength, modulus of elasticity, elongation, and thermal coefficient of contraction or expansion of uniformly shaped plastics, adhesives, and foam materials over temperature range of 700 to 90 K (800 to -300). Tests may be used in design quality control, and in evaluation of new adhesives and plastic materials.

Helf, J. C.↗
NASA NTRS1977

Tensile and creep rupture properties of (16) uncoated and (2) coated engineering alloys at elevated temperatures

Sixteen test materials were supplied by NASA-Lewis Research Center as wrought bar or cast remelt stock. The cast remelt stock was cast into test blanks with two such materials being also evaluated after Jocoat coating was applied. Mechanical properties evaluated included tensile, modulus of elasticity, Poisson's Ratio, creep properties and creep rupture strength. Tests were conducted at temperatures applicable to the service temperature of the various alloys. This range extended from room temperature to 1000 C.

Fritz, L. J.↗
NASA NTRS1980

Quantitative ultrasonic evaluation of engineering properties in metals, composites and ceramics

Ultrasonic technology from the perspective of nondestructive evaluation approaches to material strength prediction and property verification is reviewed. Emergent advanced technology involving quantitative ultrasonic techniques for materials characterization is described. Ultrasonic methods are particularly useful in this area because they involve mechanical elastic waves that are strongly modulated by the same morphological factors that govern mechanical strength and dynamic failure processes. It is emphasized that the technology is in its infancy and that much effort is still required before all the available techniques can be transferred from laboratory to industrial environments.

Vary, A.↗
NASA NTRS1982

Frictional heating due to asperity interaction of elastohydrodynamic line-contact surfaces

A numerical solution of an elastohydrodynamically lubricated (EHL) line contact between two long, rough-surface cylinders that considers the frictional heating of asperities was obtained. Pressure distribution, temperature distribution, film thickness and EHL load for given speeds, lubricant properties, material properties of surfaces, and surface roughness parameters were theoretically solved by simultaneous solution of the elasticity equation and the Reynolds equation for two partially lubricated rough surfaces. The pressure due to asperity contact was calculated by assuming a Gaussian distribution of surface irregularities. The elastic deformation used for film thickness computation was found from the two kinds of pressure by plane strain analysis. The temperature rise in the contact zone was calculated by using the Blok-Jaeger flash temperature model. The effects of surface roughness on EHL load for various slide-role ratios, surface roughness parameters, surface patterns, and temperature parameters was studied. It was found that the maximum temperature rise in most cases occurred in the inlet zone, and that the minimum film thickness decreased and the maximum temperature increased as the surface roughness was increased.

Majumdar, B. C.↗
NASA NTRS2000

Flow Visualization by Elastic Light Scattering in the Boundary Layer of a Supersonic Flow

We demonstrate instantaneous flow visualization of the boundary layer region of a Mach 2.5 supersonic flow over a flat plate that is interacting with an impinging shock wave. Tests were performed in the Unitary Plan Wind Tunnel (UPWT) at NASA Langley Research Center. The technique is elastic light scattering using 10-nsec laser pulses at 532 nm. We emphasize that no seed material of any kind, including water (H2O), is purposely added to the flow. The scattered light comes from a residual impurity that normally exists in the flow medium after the air drying process. Thus, the technique described here differs from the traditional vapor-screen method, which is typically accomplished by the addition of extra H2O vapor to the airflow. The flow is visualized with a series of thin two-dimensional light sheets (oriented perpendicular to the streamwise direction) that are located at several positions downstream of the leading edge of the model. This geometry allows the direct observation of the unsteady flow structure in the spanwise dimension of the model and also allows the indirect observation of the boundary layer growth in the streamwise dimension.

Herring, G. C.↗
NASA NTRS2001

A Miniaturized Seismometer for Surface Measurements in the Outer Solar System

Seismology is a powerful tool for investigating the inner structure and dynamic processes of a planetary body. The interior structure information derived from seismic measurements is complementary to other methods of probing the subsurface (such as gravity and electromagnetics), both in terms of spatial and depth resolution and the relevant types of material properties being sensed. The propagation of seismic waves is sensitive to composition (via density and elastic parameters), temperature (via attenuation) and physical state (solid vs. liquid). In addition, the seismicity (level and distribution in space and time of seismic activity) provides information on the impact flux and tectonic forces currently active within the body. The major satellites of the outer solar system provide obvious targets for seismic investigations. In addition, small bodies, such as asteroids and comets, can also benefit from seismic measurements. We have developed an extremely small, lightweight, low-power seismometer for planetary applications which is ideally suited for use in the outer solar system. This instrument has previously been proposed and selected for use on a comet (on the Rosetta Lander, subsequently deselected for programmatic reasons) and Mars (on the NetLander mission). Additional information is contained in the original extended abstract.

Banerdt, W. B.↗
NASA NTRS2004

Cross-Linked Nanotube Materials with Variable Stiffness Tethers

The constitutive properties of a cross-linked single-walled carbon nanotube material are predicted with a multi-scale model. The material is modeled as a transversely isotropic solid using concepts from equivalent-continuum modeling. The elastic constants are determined using molecular dynamics simulation. Some parameters of the molecular force field are determined specifically for the cross-linker from ab initio calculations. A demonstration of how the cross-linked nanotubes may affect the properties of a nanotube/polyimide composite is included using a micromechanical analysis.

Frankland, Sarah-Jane V.↗
NASA NTRS2020

Novel Nuclear Reactions Observed in Bremsstrahlung-Irradiated Deuterated Metals

d-D nuclear fusion events were observed in an electronscreened, deuterated metal lattice by reacting cold deuterons with hot deuterons (d*) produced by elastically scattered neutrons originating from bremsstrahlung photodissociation (where “d” and “D” denote 2H). Exposure of deuterated materials (ErD3 and TiD2) to photon energies in the range of 2.5 to 2.9 MeV resulted in photodissociation neutrons that were below 400 keV and also the 2.45-MeV neutrons, consistent with 2H(d, n)3He fusion. Additionally, neutron energies of approximately 4 and 5 MeV for TiD2 and ErD3 were measured, consistent with either boosted neutrons from kinetically heated deuterons or Oppenheimer-Phillips stripping reactions in the highly screened environment. Neutron spectroscopy was conducted using calibrated lead shielded liquid (EJ-309) and plastic (stilbene) scintillator detectors. The data support the theoretical analysis in a companion paper, predicting fusion reactions and subsequent reactions in the highly screened environment.

Bruce M Steinetz↗