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Results for “material elastic constants”

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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Electronic and magnetic properties of iridium-based novel Heusler alloys

We report half-metallicity and magnetism including exchange splitting are the most significant physical parameters to predict and design a candidate material for spintronic applications. We report here an ab-initio investigation on chemical formation and dynamical stability along with electronic structure and magnetic properties of Ir 2 Cr (Si, Ge) and IrRhCr (Si, Ge) Heusler alloys. The negative formation and cohesive energies with positive phonon dispersions confirm the stabilities of these alloys. Electronic structure calculations reveal that Ir 2 Cr (Si, Ge) and IrRhCrSi alloys are half-metallic ferromagnets with unprecedented exchange splitting. In addition, IrRhCrGe also shows semi-metallic nature. All of these materials follow Slater Pauling rule with large magnetic moments and 100% spin-polarization. With Cr bearing the majority of the local magnetic moment and exchange splitting, a ferromagnetic state is more stable than a nonmagnetic state. The electronic charge distribution and population analysis confirm mixed ionic and covalent bonding. The magnetocrystalline anisotropy energy, with the easy magnetization along the [1 1 1] direction, is significantly high in Ir 2 CrGe. Elastic constants such as shear (G), bulk (B), Young’s moduli, and Poisson’s ratio indicate that the IrRhCrSi and IrRhCrGe alloys are mechanically stable, and Ir 2 CrSi and Ir 2 CrGe are mechanically unstable. The Pugh’s (B/G) and Poisson’s ratios confirm that the stable alloys are ductile.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ultra-fast interpretable machine-learning potentials

Abstract All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predictive accuracy. To address this challenge, we combine effective two- and three-body potentials in a cubic B-spline basis with regularized linear regression to obtain machine-learning potentials that are physically interpretable, sufficiently accurate for applications, as fast as the fastest traditional empirical potentials, and two to four orders of magnitude faster than state-of-the-art machine-learning potentials. For data from empirical potentials, we demonstrate the exact retrieval of the potential. For data from density functional theory, the predicted energies, forces, and derived properties, including phonon spectra, elastic constants, and melting points, closely match those of the reference method. The introduced potentials might contribute towards accurate all-atom dynamics simulations of large atomistic systems over long-time scales.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Thermal elastohydrodynamic lubrication of line contacts

A numerical solution to the problem of thermal elastohydrodynamic lubrication of line contacts was obtained by using a finite difference formulation. The solution procedure consists of simultaneous solution of the thermal Reynolds equation, the elasticity equation, and the energy equation subject to appropriate boundary conditions. Pressure distribution, film shape, and temperature distribution were obtained for fully flooded conjunctions, a paraffinic lubricant, and various dimensionless speed parameters while the dimensionless load and materials parameters were held constant. Reduction in the minimum film thickness due to thermal effects (as a ratio of thermal to isothermal minimum film thickness) is given by a simple formula as a function of the thermal loading parameter Q: H(min)/H(min,I) = 10/10+ Q(0.4). Plots of pressure distribution, film shape, temperature distribution, and flow are shown for some representative cases.

Ghosh, M. K.↗
NASA NTRS1985

Thermal elastohydrodynamic lubrication of line contacts

A numerical solution to the problem of thermal elastohydrodynamic lubrication of line contacts was obtained by using a finite difference formulation. The solution procedure consists of simultaneous solution of the thermal Reynolds equation, the elasticity equation, and the energy equation subject to appropriate boundary conditions. Pressure distribution, film shape, and temperature distribution were obtained for fully flooded conjunctions, a paraffinic lubricant, and various dimensionless speed parameters while the dimensionless load and materials parameters were held constant. Reduction in the minimum film thickness due to thermal effects (as a ratio of thermal to isothermal minimum film thickness) is given by a simple formula as a function of the thermal loading parameter Q: H(min)/H(min, I) = 10/10 + Q(0.4). Plots of pressure distribution, film shape, temperature distribution, and flow are shown for some representative cases.

Ghosh, M. K.↗
DOE OSTI2024

Sound speed measurements in shock-compressed cemented Tungsten carbides at pressures up to 100 GPa

To gain insights into thermodynamic states attained during shock compression of cemented tungsten carbide with 3.7 wt.% cobalt binder, we present results of longitudinal sound (release wave) speed measurements and their analysis at peak stresses up to 100 GPa (volumetric compression ratio ~ 15%). The sound speeds are determined using front-surface impact and release-wave overtake plate impact experimental configurations using laser interferometry. The measured sound speed data along with estimates for bulk sound speeds obtained using the fourth-order Birch-Murnaghan EoS and thermodynamics are used to determine the longitudinal moduli and shear moduli of shocked tungsten carbide at the various peak compression states attained in the experiments. Here, the longitudinal sound speeds were found to increase linearly with volume compression ratio from 6.97 ± 0.010 km/s at ambient conditions to 8.26 ± 0.156 km/s at a volume compression ratio of ~ 15%. The corresponding longitudinal elastic moduli also increase nearly linearly with the volume compression ratio but remain consistently lower than their theoretical predictions based on continuum models with no damage. Also, the sensitivity of shear moduli to pressure, as predicted by the Steinberg-Guinan model, is reduced substantially and the shear moduli of cemented WC with 3.7 wt.% Co remains nearly constant at ~ 310 GPa at the various peak compression stress states investigated in the present study.

36 MATERIALS SCIENCE↗
NASA NTRS1985

A device for generating motive force through the expansion of a non-elastic dense fluid

A device for generating motive force through the expansion of a dense, nonelastic fluid is described. It consists of an exterior block of a material with a low expansion coefficient, the interior of which is equipped with two circular cavities, both of which are equipped with rotors having blades constantly stressed outward by springs, so that they make contact with the cavity walls. One cavity is heated externally, and both have an exterior wall made of a friction ring which keeps the volume constant when their length varies. These cavities are interconnected by ducts which, at the inlet, are a prolongation of a peripheral groove made in the friction ring. The excess fluid produced by expansion flows through the groove, subsequently entering the cavity again after passing through a cooler located in the exterior part of the block. Both rotors are connected to gears with appropriate ratios which are equipped with a blocking device to guarantee that they always rotate in the same direction.

Muller, L.↗
NASA NTRS2004

Investigation of Three-Dimensional Stress Fields and Slip Systems for FCC Single Crystal Superalloy Notched Specimens

Metals and their alloys, except for a few intermetallics, are inherently ductile, i.e. plastic deformation precedes fracture in these materials. Therefore, resistance to fracture is directly related to the development of the plastic zone at the crack tip. Recent studies indicate that the fracture toughness of single crystals depends on the crystallographic orientation of the notch as well as the loading direction. In general, the dependence of crack propagation resistance on crystallographic orientation arises from the anisotropy of (i) elastic constants, (ii) plastic deformation (or slip), and (iii) the weakest fracture planes (e.g. cleavage planes). Because of the triaxial stress state at the notch tips, many slip systems that otherwise would not be activated during uniaxial testing, become operational. The plastic zone formation in single crystals has been tackled theoretically by Rice and his co-workers and only limited experimental work has been conducted in this area. The study of the stresses and strains in the vicinity of a FCC single crystal notch tip is of relatively recent origin. We present experimental and numerical investigation of 3D stress fields and evolution of slip sector boundaries near notches in FCC single crystal tension test specimens, and demonstrate that a 3D linear elastic finite element model that includes the effect of material anisotropy is shown to predict active slip planes and sectors accurately. The slip sector boundaries are shown to have complex curved shapes with several slip systems active simultaneously near the notch. Results are presented for surface and mid-plane of the specimens. The results demonstrate that accounting for 3D elastic anisotropy is very important for accurate prediction of slip activation near FCC single crystal notches loaded in tension. Results from the study will help establish guidelines for fatigue damage near single crystal notches.

Arakere, Nagaraj K.↗
NASA NTRS1974

Factors affecting the thermal shock resistance of several hafnia based composites containing graphite or tungsten

The thermal shock resistance of hafnia based composites containing graphite powder or tungsten fibers was investigated in terms of material properties which include thermal expansion, thermal conductivity, compressive fracture stress, modulus of elasticity, and phase stability in terms of the processing parameters of hot pressing pressure and/or density, degree of stabilization of the hafnia, and composition. All other parameters were held constant or assumed constant. The thermal shock resistance was directly proportional to the compressive fracture stress to modulus of elasticity ratio and was not affected appreciably by the small thermal expansion or thermal conductivity changes. This ratio was found to vary strongly with the composition and density such that the composites containing graphite had relatively poor thermal shock resistance, while the composites containing tungsten had superior thermal shock resistance.

Lineback, L. D.↗
NASA NTRS1993

Nondestructive characterization of the elastic constants of fiber reinforced composites

Composite structural components may be subjected to a variety of defects resulting in a sharp reduction in their load carrying capacity or even catastrophic failure. Thus, it is extremely important to have the means to monitor the degradation suffered by critical components of a structure for safe operation during its service life. A nondestructive method based on ultrasonics has recently been developed for the quantitative evaluation of composite structural components during service. The experimental part of the technique uses a two-transducer, pitch-catch type arrangement to generate a variety of elastic waves within the specimen immersed in water. The recorded reflection data are then analyzed by means of a theoretical model to back out the relevant properties. In this paper the method is applied to determine the stiffness constants of unidirectional graphite/epoxy materials. The measurements are shown to be efficient and sufficiently accurate so that it can be used for early detection of material degradation in composite structural elements during service.

Mal, Ajit K.↗
DOE OSTI2020

Estimation of elastic properties of an additively manufactured lattice using resonant ultrasound spectroscopy

Development of improved approaches in the characterization of additively manufactured structures continues to be a topic of interest for the advanced manufacturing community. This article will investigate an approach using resonant ultrasound spectroscopy (RUS) to determine the effective elastic constants of an orthotropic lattice structure. The evaluation is performed on a cube shaped 316 L stainless steel test specimen, constructed using selective laser melting techniques. The approach uses RUS techniques in conjunction with the assumption that in the frequency regime of interest, the wavelength of the diagnostic ultrasound is greater than the discrete structural features of the unit cell of the lattice; thus, the AM structure can be treated as an anisotropic continuum with effective material properties and symmetry inherited from the unit cell. The RUS analysis estimates the nine elastic coefficients associated with orthotropic sample symmetry, which, in turn, are used to determine the elastic moduli and Poisson ratios. Current results show good agreement between experiments and modeled data. Comparisons to published results are also in good agreement, indicating the potential applicability of this characterization technique for estimating the linear elastic properties of innovative additive manufactured metal lattice structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

AGC-2 Specimen Post Irradiation Data Package Report

This report documents results of the post-irradiation examination material property testing of the creep, control, and piggyback specimens from the irradiation creep capsule Advanced Graphite Creep (AGC)-2 are reported. This is the second of a series of six irradiation test trains planned as part of the AGC experiment to fully characterize the neutron irradiation effects and radiation creep behavior of current nuclear graphite grades. The AGC-2 capsule was irradiated in the Idaho National Laboratory Advanced Test Reactor at a nominal temperature of 600°C and to a peak dose of 5 dpa (displacements per atom). One half of the creep specimens were subjected to mechanical stresses (an applied stress of either 13.8, 17.2, or 20.7 MPa) to induce irradiation creep. All post-irradiation testing and measurement results are reported with the exception of the irradiation mechanical strength testing, which is the last destructive testing stage of the irradiation testing program. Material property tests were conducted on specimens from 15 nuclear graphite grades using a similar loading configuration as the first AGC capsule (AGC-1) to provide easy comparison between the two capsules. However, AGC-2 contained an increased number of specimens (i.e., 487 total specimens irradiated) and replaced specimens of the minor grade 2020 with the newer grade 2114. The data reported include specimen dimensions for both stressed and unstressed specimens to establish the irradiation creep rates, mass and volume data necessary to derive density, elastic constants (Young’s modulus, shear modulus, and Poisson’s ratio) from ultrasonic time of flight velocity measurements, Young’s modulus from the fundamental frequency of vibration, electrical resistivity, and thermal diffusivity and thermal expansion data from 100–500°C. No data outliers were determined after all measurements were completed. A brief statistical analysis was performed on the irradiated data and a limited comparison between pre- and post-irradiation properties is presented. A more complete evaluation of trends in the material property changes, as well as irradiation-induced creep due to irradiation, temperature, and applied load on specimens will be discussed in later AGC-2 post-irradiation examination analysis reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Sound speed measurements in shock compressed cemented tungsten carbide: Evolution of elastic moduli with damage at pressures to 100 GPa

The motivation of the present study is to gain insights into the evolution of elastic properties of cemented tungsten carbides (WC) shock compressed to 100 GPa. Seven plate impact experiments—two front surface impact and five release wave overtake—are conducted to make simultaneous measurements of Hugoniot states and longitudinal sound speeds in shocked WC with 3.7wt.% cobalt binder. The sound speeds along with estimates for bulk sound speeds, obtained using the Birch–Murnaghan EoS, are analyzed to determine the elastic moduli—longitudinal, bulk, and shear—as a function of Hugoniot stress. The longitudinal and bulk sound speeds at Hugoniot states of interest are found to increase linearly with longitudinal stress. Consistent with the increase in sound speeds, the longitudinal and bulk moduli also increase with Hugoniot stress; however, the increase in longitudinal modulus is modest when compared to predictions of theoretical models that account for pressure and temperature dependence of elastic moduli, but with no damage. The shear moduli remain nearly constant at ~318 GPa over the range of Hugoniot states investigated. These values are, however, much lower than those predicted by the Steinberg–Guinan model with no damage. Poisson’s ratio decreases initially from its ambient value of 0.208 to ~0.199 for Hugoniot stress ≤10 GPa indicating consolidation of the WC microstructure with low initial stress; however, with an increase in Hugoniot stress to ~100 GPa, Poisson’s ratio increases to ~0.317, indicating degradation of shear moduli with increasing stress. The product of density and Grüneisen parameter (ρΓ), after an initial spike, remains nearly constant for volumetric strains ≥0.07. The maximum average temperature rise is estimated to be ~286°C at the highest Hugoniot stress employed in the study.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exploring structural transitions at grain boundaries in Nb using a generalized embedded atom interatomic potential

The advancement in experimental techniques, like the atom probe tomography and high resolution electron microscopy, is fueling interest in studying structural transformations of grain boundaries in metal and alloys to uncover correlations between mechanical properties and solute or impurity segregation to grain boundaries. Atomistic modeling is an important tool that can pinpoint the intricate dynamics of grain boundary phase transitions, but the lack of accurate interatomic potentials needed to simulate the complex dynamics of grain boundary structural transitions and identify different metastable phases has been the bottleneck. To this end, we use niobium as a model body centered cubic (BCC) metal and develop an interatomic potential to study grain boundary phase transitions. The potential for Nb is based on a generalization of the embedded atomic method potential and has sufficient flexibility to learn complex energy landscapes using a small set of training structures. We systematically test and validate the using data from ab initio density functional theory calculations and experiments. Using this potential, we calculate energies of multiple symmetric-tilt grain boundaries spanning a wide range of misorientation angles. Additionally, we explore different metastable structures of the Σ 27(552) [$1\overline{1}0$] grain boundary and use molecular dynamic simulations to study the coexistence of metastable phases and grain boundary transitions at finite temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hierarchical Reinforcement Learning of a Short-Range Bond-Order Potential for Silica: Analytic Embedding of Coordination with Classical Efficiency

Reinforcement learning (RL) has recently emerged as a data-efficient strategy to parametrize short-range interatomic potentials. Building on our past RL optimization of pairwise silica models, we extend the framework to a bond-order (Tersoff-type) potential that provides an analytic embedding of local coordination through a three-body term. A hierarchical RL workflow combining continuous-action Monte Carlo Tree Search and property-based rewards efficiently explores the 26-dimensional parameter space, sequentially optimizing lattice parameters, densities, angles, and cohesive energies of 21 silica polymorphs. The resulting models, Q-Tersoff and ML-Tersoff, reproduce the energetic ordering of low-energy phases and capture the angular correlations and amorphous structure factors of silica with improved fidelity over pairwise force fields, while remaining orders of magnitude faster than high-dimensional machine-learned potentials. Both models underperform for elastic constants and high-energy frameworks, delineating the limits of the current analytic form. The approach establishes a general and interpretable route to angle-aware, short-range potentials that bridge physics-based and machine-learned descriptions of silicate materials.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Rate and time dependent failure of structural adhesives

Studies on two adhesives (Metlbond 1113 and 1113-2) identified as having important applications in the bonding of composite materials are presented. A testing program to ascertain stress-strain, strain-rate, time, yield, and/or failure behavior of these materials in bulk form using uniaxial tensile constant strain-rate, creep, and relaxation tests is described. The stress-strain behavior of each material is shown to be significantly rate dependent. A rate dependent stress whitening (crazing) phenomenon occurs prior to either yield or fracture. A region of linear elasticity, a region of viscoelasticity, and the onset of yielding are identified in the stress-strain behavior. The linear elastic limit and the yield point are shown to be rate dependent and agree well with an empirical equation proposed by Ludwik. A creep to failure phenomenon is shown to exist and is correlated with a delayed yield equation proposed by Crochet. Analytical predictions based on a modified Bingham model are shown to agree well with experimental stress-strain strain-rate data. Analytical predictions based on a modified Ramberg-Osgood equation are also shown for comparison purposes.

Brinson, H. F.↗
NASA NTRS1981

Fracture toughness of brittle materials determined with chevron notch specimens

Short bar, short rod, and four-point-bend chevron-notch specimens were used to determine the plane strain fracture toughness of hot-pressed silicon nitride and sintered aluminum oxide brittle ceramics. The unique advantages of this specimen type are: (1) the production of a sharp natural crack during the early stage of test loading, so that no precracking is required, and (2) the load passes through a maximum at a constant, material-independent crack length-to-width ratio for a specific geometry, so that no post-test crack measurement is required. The plane strain fracture toughness is proportional to the maximum test load and functions of the specimen geometry and elastic compliance. Although results obtained for silicon nitride are in good mutual agreement and relatively free of geometry and size effects, aluminum oxide results were affected in both these respects by the rising crack growth resistance curve of the material.

Shannon, J. L., Jr.↗
NASA NTRS1983

Propagation of sound in highly porous open-cell elastic foams

This work presents both theoretical predictions and experimental measurements of attenuation and progressive phase constants of sound in open-cell, highly porous, elastic polyurethane foams. The foams are available commercially in graded pore sizes for which information about the static flow resistance, thermal time constant, volume porosity, dynamic structure factor, and speed of sound is known. The analysis is specialized to highly porous foams which can be efficient sound absorbers at audio frequencies. Negligible effect of internal wave coupling on attenuation and phase shift for the frequency range 16-6000 Hz was predicted and no experimentally significant effects were observed in the bulk samples studied. The agreement between predictions and measurements in bulk materials is excellent. The analysis is applicable to both the regular and compressed elastic open-cell foams.

Lambert, R. F.↗
NASA NTRS1976

On surface energy and the continuum thermodynamics of brittle fracture

When a separating body is viewed as a nonequilibrium thermodynamic process, the full thermodynamic nature of the surface energy induced by crack propagation becomes apparent. Within such a general framework it is no longer possible to view the surface energy as a material constant. For the self-propagating crack the induced surface energy is shown to depend explicitly on the square of the crack propagation speed. It is also shown that a separating body produces entropy even though the mechanical response of the solid may be elastic. The introduction of surface quantities such as surface energy into the continuum description of the fracture process forces a major departure from the mechanics appropriate to the nonseparating body. Local equations of balance are no longer obtainable as derived consequences of postulated global balance equations. They must instead be imposed as separate additional postulates.

Eftis, J.↗