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Results for “Elastic energy”

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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Resonance contributions to radiative corrections in charged-current elastic (anti)neutrino-nucleon scattering at GeV energies

We present the first evaluation of virtual resonance contributions to the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies, focusing on the dominant Δ(1232) resonance. We approximate the vector part of the N → Δ transition by the leading magnetic dipole term. Our results for the cross-section corrections at fixed neutrino energy indicate the permille-level contribution of resonance intermediate states to the elastic and radiative scattering cross sections. This calculation exhibits the expected infrared behavior of the invariant amplitudes and unpolarized cross sections. Our findings provide important insights into inelastic excitations in the charged-current elastic (anti)neutrino-nucleon scattering at GeV energies.

Electroweak interaction↗
DOE OSTI2023

LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP

Here, we introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing functions to prepare, execute and extract information from LAMMPS/VASP simulations. An overview of the program structure is provided. The current version contains modules to calculate elastic and mechanical properties such as lattice constant, cohesive energy, cold curve, elastic constants, bulk and shear modulus, volume conserving/non-conserving deformation path, vacancy/interstitial formation energy, surface energy, stacking fault energy, melting point, radial distribution function, and thermal expansion. These functionalities are demonstrated for different interatomic potentials and DFT calculations in Al.

36 MATERIALS SCIENCE↗
DOE OSTI2022

LAVA

We introduce LAVA, a general-purpose python toolkit to provide user-friendly and high throughput calculations for material properties using both LAMMPS and VASP. It contains a set of classes as well as pre-processing and post-processing functions to prepare, execute and extract information from LAMMPS/VASP simulations. An overview of the program structure is provided. The current version contains modules to calculate elastic and mechanical properties such as lattice constant, cohesive energy, cold curve, elastic constants, bulk and shear modulus, volume conserving/non-conserving deformation path, vacancy/interstitial formation energy, surface energy, stacking fault energy, melting point, radial distribution function, and thermal expansion.

Dang, Khanh↗
NASA NTRS1995

Requirements for energy based constitutive modeling in tire mechanics

The history, requirements, and theoretical basis of a new energy based constitutive model for (rubber) material elasticity, hysteresis, and failure are presented. Energy based elasticity is handled by many constitutive models, both in one dimension and in three dimensions. Conversion of mechanical energy to heat can be modeled with viscoelasticity or as structural hysteresis. We are seeking unification of elasticity, hysteresis, and failure mechanisms such as fatigue and wear. An energy state characterization for failure criteria of (rubber) materials may provide this unification and also help explain the interaction of temperature effects with failure mechanisms which are described as creation of growth of internal crack surface. Improved structural modeling of tires with FEM should result from such a unified constitutive theory. The theory will also guide experimental work and should enable better interpretation of the results of computational stress analyses.

Luchini, John R.↗
DOE OSTI2024

Local lattice distortions and the structural instabilities in bcc Nb–Ta–Ti–Hf high-entropy alloys: An ab initio computational study

Local lattice distortions (LLD) and structural stability of body-centered cubic (bcc) Nb–Ta–Ti–Hf high-entropy alloys (HEAs) are studied as functions of composition employing ab initio density-functional theory calculations, with specific focus on the role of the relative concentrations of group IV (Ti and Hf) versus group V (Nb and Ta) elements. Calculated results are presented as a function of composition x in Nb x Ta 0.25 Ti (0.75-x)/2 Hf (0.75-x)/2 alloys, for elastic moduli, phonon spectral functions, LLD and structural energy differences for the bcc and competing hexagonal close-packed (hcp) and ω phases. The results highlight the important role of group V elements and LLD in stabilizing the bcc structure. They further reveal how composition x can be tuned to alter both the magnitude of the LLD and structural energy differences. Specifically, the magnitude of the structural energy differences, and elastic and dynamic stability of the bcc phase, are enhanced with increasing x, while the LLD increase in magnitude as this concentration is decreased. The results also show evidence of correlated LLD at lower values of x, reflecting local structural distortions towards the ω phase, but not hcp. The degree of ω-collapse is nevertheless partial i.e., transformation towards this phase is not observed to be complete due to the presence of Ta and Nb. At lower values of x we further find an energy landscape characterized by multiple, nearly degenerate local energy minima for different values of the LLD.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Mesoscale Linear Elastic Modeling and Homogenization of Marine Energy Composites

The design of fiber-reinforced composite (FRC)-based components for marine energy applications necessitates a fundamental understanding of material properties and the resulting geometry to predict long-term performance. In this work, we present a modeling workflow to predict linear elastic and diffusive bulk properties at the mesoscale for an idealized geometry based on knowledge of fiber and resin properties. A parametric study was performed to identify the key model input parameters that influence bulk properties. Furthermore, we demonstrate how bulk properties can be leveraged in high-fidelity image-based simulations, where imperfections in tow geometry and voids captured during X-ray computed tomography imaging are explicitly represented within the simulation. Bulk properties of interest include moduli, Poisson’s ratios, hygroscopic swelling, diffusivity, and moisture uptake, which are key parameters for characterizing FRC performance within marine environments. Modeling predictions agreed well with experimental data, except for estimating swelling coefficients, likely due to crack accumulation as a function of moisture uptake. The mesoscale modeling workflow ultimately highlights a versatile framework for understanding the influence of material and geometric properties, which can be leveraged to rapidly assess new FRC-based components.

computational mechanics↗
NASA NTRS2003

Co-Seismic Energy Changes Induced by Earthquakes on a Rotating, Gravitating Earth

Besides operating its own energy budget, an earthquake acts as an agent transferring a much greater amount of energy among the Earth's rotation, elastic field, gravitational field and internal heat. We compute the co-seismic, globally integrated gravitational and rotation changes induced by some 20,000 large earthquakes that occurred in the last quarter century, according to Chao et al. (1995, GJI, 122,776- 783,784-789) and using the Harvard CMT catalog. The result confirms an extremely strong tendency for the earthquakes to decrease the global gravitational energy and to increase the spin energy. It is found that energy is being extracted from the Earth's gravitational field by the action of earthquakes at an average rate of about approx. 2 TeraW during the studied period, larger by far than the approx. 7 GigaW for the average rate of the earthquake-induced rotational energy increase and the approx. 5 GigaW for the seismic energy release. Based on energetics considerations and assuming the inability of the Earth to build up elastic energy continuously over time, it is argued that earthquakes, by converting gravitational energy, may make a significant contribution to the global hedflow.

Chao, Benjamin F.↗
NASA NTRS1980

Lateral density variations in elastic Earth models from an extended minimum energy approach

Kaula's minimum energy approach was extended to include the nonhydrostatic gravitational potential energy and the density perturbation field was obtained to degree and order eight. The depth profiles for the density perturbation show a stratification with density excesses and deficiencies alternating with depth. The addition of the gravitational potential energy in the minimization process does not change significantly the conclusions based on results for the minimum shear strain energy case, concerning the inability of the mantle to withstand the lateral loading elastically.

Sanchez, B. V.↗
DOE OSTI2024

New Nonreactive Force Field for Accurate Molecular Dynamics Simulations of TATB at Extreme Conditions

Insensitive high explosives based on TATB (1,3,5-triamino-2,4,6-trinitrobenzene) are needed in applications when safety is of paramount importance, but the basic material properties that give rise to its insensitivity are not fully understood. Molecular dynamics modeling using empirical force fields (FFs) has been the main route to characterize many complicated dynamical properties of TATB single crystal, but these FFs have not been comprehensively tested at extreme conditions typical of detonation. We collect a benchmark data set of (quasi)static TATB physical properties as determined by experiments and electronic structure calculations and apply this data set to validate four existing TATB FFs along with a new TATB FF that we develop here and denote as the CEA-LLNL-Missouri (CLM) FF. Benchmark data include vibrational spectra, the TATB crystal temperature–pressure–volume equation of state and lattice parameters, properties of TATB crystal polymorphs and transitions to the gaseous and liquid states, dimer energy landscapes, the pressure-dependent elastic tensor, and the energy landscape for inelastic deformation via sliding of TATB crystal layers. As a general assessment, we find that the two existing nonreactive FFs are more accurate in describing TATB’s physical properties compared to the two variants of the ReaxFF reactive FF considered. The new CLM FF is found to consistently yield similar or better agreement with experiments and electronic structure theory than any of the existing FF models, and it presents a distinct improvement in accurately modeling TATB elasticity and equation of state. So this work is expected to help improve the accuracy of FF-based modeling of complicated dynamic responses that ultimately govern the safety and performance characteristics of this material.

36 MATERIALS SCIENCE↗
NASA NTRS1962

EFFECT OF SPACE ENVIRONMENT ON PHOTOVOLTAIC CELLS

A series of theoretical calculations have been performed concerning inelastic nuclear interactions between incident high energy protons and silicon. The results of these calculations, summarized here, indicate that, above incident proton energies of about 20 Mev, the primary defect production mechanism is inelastic nuclear interactions. Additional evidence is presented which indicates that the defect structures produced by these inelastic nuclear interactions are significantly more complicated than those produced by electron and lower energy proton induced elastic nuclear interactions. Based on these phenomena, it is shown that high energy proton experimental damage data on silicon photovoltaic devices obtained at low illumination intensities cannot be applied directly to spacecraft photovoltaic power supply systems designed to operate at the illumination levels existing in space.

SILICON↗
NASA NTRS2005

Angular Distribution of Elastically Scattered Electrons Determined and Its Effect on Collector Performance Computed

It has been demonstrated that the suppression of secondary electron emission significantly improves the performance of electron beam collectors (ref. 1). However, a complete analysis of the effects of secondary electron emission with respect to collector performance has not been possible because of the lack of quantitative data on angular distributions of secondary electrons. Secondary electrons are emitted with energies ranging from near zero to the energy of the incident primary. For our purposes, we define elastically scattered electrons as secondary electrons within 20 percent of the incident energy. Elastically scattered electrons are of great concern because their energy allows them to follow trajectories that can carry them almost anywhere within the vacuum envelope. If these secondaries leave the collector and reenter the slow wave circuit, they can produce undesired signal distortion and oscillation.This apparatus, which was built by Krainsky (ref. 2), was used at the NASA Lewis Research Center to obtain detailed measurements of the angular distributions of elastically scattered secondaries. Data were obtained for three surfaces of significant interest to collector applications: highly polished copper, copper roughened by ion sputtering, and isotropic graphite. Lewis researchers discovered that elastically scattered electrons have a complex angular distribution that is strongly dependent on the atomic number and surface morphology of the target material, as well as the energy and angle of incidence of the primary beam. At low energies, secondary emission from polished copper in the chosen energy range is primarily directed back to the source of primary electrons (backscattering). Forward scattering increases with primary energy until, at high energies, forward scattering dominates the angular distribution. Although back-scattered secondaries dominate the distributions of the textured copper surface, the yield is substantially lower. From the standpoint of secondary emission, isotropic graphite is the most attractive material because it exhibits low yield and little back scattering.

Krainsky, Isay L.↗
DOE OSTI2020

Reconsidering astrophysical constraints on macroscopic dark matter

Macroscopic dark matter—“macros”—refers to a broad class of alternative candidates to particle dark matter with still unprobed regions of parameter space. These candidates would transfer energy primarily through elastic scattering with approximately their geometric cross section. For sufficiently large cross sections, the linear energy deposition could produce observable signals if a macro were to pass through compact objects such as white dwarfs or neutron stars in the form of thermonuclear runaway, leading to a type Ia supernova or superburst, respectively. Here, we update the constraints from white dwarfs. These are weaker than previously inferred in important respects because of more careful treatment of the passage of a macro through the white dwarf and greater conservatism regarding the size of the region that must be heated to initiate runaway. On the other hand, we place more stringent constraints on macros at a low cross section, using new data from the Montreal White Dwarf Database. New constraints are inferred from the low mass x-ray binary 4U 1820-30, in which more than a decade passed between successive superbursts. Updated microlensing constraints are also reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Collisional-energy-cascade model for nonthermal velocity distributions of neutral atoms in plasmas

Nonthermal velocity distributions with much greater tails than a Maxwellian have been observed for radical atoms in plasmas for a long time. Historically, such velocity distributions have been modeled by a two-temperature Maxwell distribution. In this paper, I propose a model based on collisional energy cascade, which has been studied in the field of granular materials. In the collisional energy cascade, a particle ensemble undergoes energy input at the high-energy region, entropy production by elastic collisions among particles, and energy dissipation. For radical atoms, energy input may be caused by the Franck-Condon energy of molecular dissociation or charge-exchange collision with hot ions, and the input energy is eventually dissipated by collisions with the walls. Here, I show that the steady-state velocity distribution in the collisional energy cascade is approximated by the generalized Mittag-Leffler distribution, which is a one-parameter extension of the Maxwell distribution. This parameter indicates the degree of the nonthermality and is related to the relative importance of energy dissipation over entropy production. This model is compared with a direct molecular dynamics simulation for simplified gaseous systems with energy input, as well as some experimentally observed velocity distributions of light radicals in plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

P(P bar)P elastic scattering and cosmic ray data

It is shown that the total cross section for pp elastic scattering at cosmic ray energies, as well as the total cross section, the slope parameter b(s,t) and the differential cross section for small momentum transfer at ISR and collider energies for p(p)p elastic scattering can be simultaneously fitted by using a simple Regge pole model. The results of this theory is discussed in detail.

FAZAL-E-ALEEM↗