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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Variation of elastic mechanical properties with texture, porosity, and defect characteristics in laser powder bed fusion 316L stainless steel

Elastic mechanical properties of 316 L stainless steel samples fabricated using laser powder bed fusion were studied non-destructively through resonant ultrasound spectroscopy. Samples in five different conditions were obtained by varying the laser power from 103 W (the highest density condition) to 68 W (the lowest density condition) at constant laser speed, producing samples with a volume energy density in the 24.5–16.5 J/mm 3 range and volumetric porosity in the 0.1–10% range. The observed elastic mechanical properties are discussed taking into consideration the bulk texture developed and quantitative pore characteristics studied using high-energy high-resolution synchrotron X-ray diffraction and X-ray computed micro-tomography, respectively. Furthermore, empirical exponential relationships are provided to express the functional dependence of Young's and shear moduli with porosity.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Elastic properties of a Sc–Zr–Nb–Ta–Rh–Pd high-entropy alloy superconductor

Here, we report a comprehensive study on the elastic properties of a hexanary high-entropy alloy superconductor (ScZrNbTa) 0.685 [RhPd] 0.315 at room and cryogenic temperatures, by Resonant Ultrasound Spectroscopy experiments. The derived elastic constants are bulk modulus K=132.7 GPa, Young’s modulus E=121.0 GPa, shear modulus G=44.9 GPa, and Poisson’s ratio v= 0.348 for room temperature. The Young’s and shear moduli are ~ 10% larger than those in NbTi superconductor with similar T c , while the ductility is comparable. Moreover, the mechanical performance is further enhanced at cryogenic temperature. Our work confirms the advantageous mechanical properties of high-entropy alloy superconductors and suggests the application prospects.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Experimental verification of a method to create a variable energy neutron beam from a monoenergetic, isotropic source using neutron elastic scatter and time of flight

An experiment was performed to determine the neutron energy of near-monoergetic deuterium–deu-terium (D–D) neutrons that elastically scatter in a hydrogenous target. The experiment used two liquid scintillators to perform time of flight (TOF) measurements to determine neutron energy, with the start detector also serving as the scatter target. The stop detector was placed 1.0 m away and at scatter angles of π/6, π/4, and π/3 rad, and 1.5 m at a scatter angle of π/4 rad. When discrete 1 ns increments were implemented, the TOF peaks had estimated errors between 21.2 and 3.6% relative to their expected locations. Full widths at half-maximum (FWHM) ranged between 9.6 and 20.9 ns, or approximately 0.56–0.66 MeV. Monte Carlo simulations were also conducted that approximated the experimental setup and had both D–D and deuterium–tritium (DT) neutrons. The simulated results had errors between -17.2 and 0.0% relative to their expected TOF peaks when 1 ns increments were applied. The largest D–D and D–T FWHMs were 26.7 and 13.7 ns, or approximately 0.85 and 4.98 MeV, respectively. These values, however, can be reduced through manipulation of the dimensions of the system components. Lastly, the results encourage further study of the neutron elastic scatter TOF system with particular interest in application to active neutron interrogation to search for conventional explosives.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

54 Fe neutron elastic and inelastic scattering differential cross sections from 2–6 MeV

Measurements of neutron elastic and inelastic scattering cross sections from 54 Fe were performed for nine incident neutron energies between 2 and 6 MeV. Measured differential scattering cross sections are compared to those from previous measurements and the ENDF, JENDL, and JEFF data evaluations. TALYS calculations were performed and modifications of the default parameters are found to better describe the experimental cross sections. A spherical optical model treatment is generally adequate to describe the cross sections in this energy region; however, in 54 Fe the direct coupling is found to increase suddenly above 4 MeV and requires an increase in the DWBA deformation parameter by approximately 25%. Furthermore, this has little effect on the elastic scattering differential cross sections but makes a significant improvement in both the strength and shape of the inelastic scattering angular distribution, which are found to be very sensitive to the size and extent of the surface absorption region.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Neutron elastic and inelastic cross section measurements on silicon from 0.8--8 MeV

Neutron elastic and inelastic scattering differential cross sections were measured at angles between 30° and 155° with incident neutron energies between 0.8 and 8 MeV. The measured differential scattering cross sections are compared to existing measurements and the ENDF/B-VIII.0, the JEFF-3.3, and the JENDL-4.0 data evaluations, as well as theoretical calculations from the TALYS-1.95 nuclear reaction code. Our results are reasonably well described by values from the ENDF/B-VIII.0 and JEFF-3.3 compilations. However, below 4 MeV, our backward-angle elastic scattering results tend to be lower than database/calculated values, suggesting that less recoil damage would occur than expected. Above 6 MeV, larger backward-angle cross sections are observed suggesting the opposite. Deexcitation γ rays produced in the inelastic scattering process were also studied for neutron energies between 1.9 and 4.5 MeV. Inelastic neutron scattering cross sections deduced from 28 Si(n,n1γ) γ-ray projection cross sections confirm our 28 Si(n,n1) results. To the extent that data from GELINA and our experimental results can be compared, we have excellent agreement between the inelastic neutron scattering cross sections.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks

Materials representation plays a key role in machine learning-based prediction of materials properties and new materials discovery. Currently both graph and three-dimensional (3D) voxel representation methods are based on the heterogeneous elements of the crystal structures. Here, we propose to use electronic charge density (ECD) as a generic unified 3D descriptor for materials property prediction with the advantage of possessing close relation with the physical and chemical properties of materials. We developed an ECD-based 3D convolutional neural networks (CNNs) for predicting the elastic properties of materials, in which CNNs can learn effective hierarchical features with multiple convolving and pooling operations. Extensive benchmark experiments over 2170 $Fm\bar3m$ face-centered-cubic materials show that our ECD-based CNNs can achieve good performance for elasticity prediction. Especially, our CNN models based on the fusion of elemental Materials-Agnostic Platform for Informatics and Exploration features and ECD descriptors achieved the best fivefold cross-validation performance. More importantly, we showed that our ECD-based CNN models can achieve significantly better extrapolation performance when evaluated over nonredundant data sets, where there are few neighbor-training samples around test samples. As an additional validation, we evaluated the predictive performance of our models on 329 materials of space group $Fm\bar3m$ by comparing to density functional theory calculated values, which shows a better prediction power of our model for bulk modulus than shear modulus. Because of the unified representation power of ECD, it is expected that our ECD-based CNN approach can also be applied to predict other physical and chemical properties of crystalline materials.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Single-Particle Studies Reveal a Nanoscale Mechanism for Elastic, Bright, and Repeatable ZnS:Mn Mechanoluminescence in a Low-Pressure Regime

Mechanoluminescent materials, which emit light in response to elastic deformation, are demanded for use as in situ stress sensors. ZnS doped with Mn is known to exhibit one of the lowest reported thresholds for appearance of mechanoluminescence, with repeatable light emission under contact pressure <10 MPa. Here, the physical basis for such behavior remains as yet unclear. Here, reliable microscopic detection of mechanoluminescence of single ZnS:Mn microparticles, in combination with nanoscale structural characterization, provides evidence that the mechanoluminescent properties of these particles result from interplay between a non-centrosymmetric crystal lattice and its defects, viz., dislocations and stacking faults. Statistical analysis of the distributions of mechanoluminescence energy release trajectories reveals two distinct mechanisms of excitation: one attributable to a piezo-phototronic effect and the other due to dislocation motion. At pressures below 8.1 MPa, both mechanisms contribute to mechanoluminescent output, with a dominant contribution from the piezo-phototronic mechanism. In contrast, above 8.1 MPa, dislocation motion is the primary excitation source. For the piezo-phototronic mechanism, we propose a specific model that accounts for elastic ZnS:Mn mechanoluminescence under very low pressure. The charged interfaces in stacking faults lead to the presence of filled traps, which otherwise would be empty in the absence of the built-in electric field. Upon application of external stress, local enhancement of the piezoelectric field at the stacking faults’ interfaces facilitates release of the trapped carriers and subsequent luminescence. This field enhancement explains how <10 MPa pressure produces thousands of photons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Elastic Anomaly and Polyamorphic Transition in (La, Ce)-based Bulk Metallic Glass under Pressure

In this paper, we discovered that in association with the polyamorphism of La 32 Ce 32 Al 16 Ni 5 Cu 15 bulk metallic glass, the acoustic velocities, measured up to 12.3 GPa using ultrasonic interferometry, exhibit velocity minima at 1.8 GPa for P wave and 3.2 GPa for S wave. The low and high density amorphous states are distinguished by their distinct pressure derivatives of the bulk and shear moduli. The elasticity, permanent densification, and polyamorphic transition are interpreted by the topological rearrangement of solute-centered clusters in medium-range order (MRO) mediated by the 4f electron delocalization of Ce under pressure. The precisely measured acoustic wave travel times which were used to derive the velocities and densities provided unprecedented data to document the evolution of the bulk and shear elastic moduli associated with a polyamorphic transition in La 32 Ce 32 Al 16 Ni 5 Cu 15 bulk metallic glass and can shed new light on the mechanisms of polyamorphism and structural evolution in metallic glasses under pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Energy evolution of the large-t elastic scattering and its correlation with multiparticle production

It is emphasized that the collective dynamics associated with color confinement is dominating over a point-like mechanism related to a scattering of the proton constituents at the currently available values of the momentum transferred in proton elastic scattering at the LHC. Deep-elastic scattering and its role in the dissimilation of the absorptive and reflective asymptotic scattering mechanisms are discussed with emphasis on the experimental signatures associated with the multiparticle production processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2013

Elastic scattering measurements for {sup 7}Be+{sup 27}Al system at RIBRAS facility

Elastic scattering angular distribution measurements of {sup 7}Be+{sup 27}Al system were performed at the laboratory energy of 15.6 MeV. The {sup 7}Be secondary beam was produced by the proton transfer reaction {sup 3}He({sup 6}Li,{sup 7}Be) and impinged on {sup 27}Al and {sup 197}Au targets, using the Radioactive Ion Beam (RIB) facility, RIBRAS. The elastic angular distribution was obtained within the angular range of 15{sup 0} - 80{sup 0} at the center of mass frame. Optical model calculations have been performed using the Woods- Saxon form factors and the Sao Paulo potential to fit the experimental data. The total reaction cross section was derived.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

The bonding, charge distribution, spin ordering, optical, and elastic properties of four MAX phases Cr{sub 2}AX (A = Al or Ge, X = C or N): From density functional theory study

In this work, we assess a full spectrum of properties (chemical bonding, charge distribution, spin ordering, optical, and elastic properties) of Cr{sub 2}AC (A = Al, Ge) and their hypothetical nitride counterparts Cr{sub 2}AN (A = Al, Ge) based on density functional theory calculations. The calculated total energy values indicate that a variety of spin ordering of these four compounds depending on interlayer-interactions between M-A and M-X within the sublattice, which is supported by bonding analysis. MAX phase materials are discovered to possess exotic magnetic properties which indicates that these materials could serve as promising candidates for novel layered magnetic materials for various electronic and spintronic applications. Further analysis of optical properties for two polarization vectors of Cr{sub 2}AX shows that the reflectivity is high in the visible-ultraviolet region up to ∼15 eV suggesting Cr{sub 2}AX as a promising candidate for use as a coating material. The elastic coefficients (C{sub ij}) and bulk mechanical properties [bulk modulus (K), shear modulus (G), Young's modulus (E), Poisson's ratio (η), and Pugh ratio (G/K)] of these four Cr{sub 2}AX compounds are also calculated and analyzed, which pave the way to predict or design new MAX phases that are less brittle or tougher by having a lower G/K value or higher η.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Elastic properties of InGaN and InAlN from first-principles calculations

Elastic properties of wurtzite In{sub x}Ga{sub 1−x}N and In{sub x}Al{sub 1−x}N alloys are investigated using the first principles calculations. For alloys with uniform distribution of In atoms, a Vegard-like approximation can describe the composition dependences of C{sub 12}, C{sub 13}, and C{sub 44} in In{sub x}Ga{sub 1−x}N, and C{sub 12}, C{sub 13}, and C{sub 33} in In{sub x}Al{sub 1−x}N, whereas significant sublinear deviations are found for C{sub 11}and C{sub 33} in In{sub x}Ga{sub 1−x}N and for C{sub 11}and C{sub 44}in In{sub x}Al{sub 1−x}N. These deviations lead to significant changes in determination of strain in In{sub x}Ga{sub 1−x}N and In{sub x}Al{sub 1−x}N layers grown coherently on GaN substrates along polar and nonpolar directions. Changes of the interband transitions energy in In{sub x}Ga{sub 1−x}N/GaN quantum wells due to the inclusion of the nonlinear dependence of the elastic constants on In content do not exceed 25 meV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Atomic-scale observation of parallel development of super elasticity and reversible plasticity in GaAs nanowires

We report the atomic-scale observation of parallel development of super elasticity and reversible dislocation-based plasticity from an early stage of bending deformation until fracture in GaAs nanowires. While this phenomenon is in sharp contrast to the textbook knowledge, it is expected to occur widely in nanostructures. This work indicates that the super recoverable deformation in nanomaterials is not simple elastic or reversible plastic deformation in nature, but the coupling of both.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Pressure effect on elastic, lattice dynamic and superconducting behaviour of yttrium sulfide: A first principle study

First principles calculations have been carried out to analyze structural, elastic, and dynamic stability of yttrium sulphide (YS) under hydrostatic compression. The comparison of enthalpies of rocksalt type (B1) and CsCl type cubic (B2) structures determined as a function of compression suggests the B1 → B2 transition at ∼49 GPa (the same transition occurs at ∼48 GPa at 300 K). Various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus have been derived from the theoretically determined equation of state. The single crystal elastic constants derived from the energy strain method agree well with the experimental values. The activation barrier between B1 and B2 phases calculated at transition point is ∼17/mRy/f.u. Our lattice dynamic calculations show that at ambient condition, the B1 phase is lattice dynamically stable, and frequencies of phonon modes in different high symmetry directions of Brillouin zone agrees well with experimental values. The B2 phase also is dynamical stable at ambient condition as well as at ∼49 GPa, supporting our static lattice calculation. The effect of temperature on volume and bulk modulus of the YS in B1 phase has also been examined. The superconducting temperature of ∼2.78 K determine at zero pressure agrees well with experimental data. The effect of pressure is found to suppress the superconducting nature of this material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Simultaneous determination of the elastic modulus and density/thickness of ultrathin films utilizing micro-/nanoresonators under applied axial force

Thin films are widely used in microelectronics, optics, filters, and various sensing devices. We propose a method to simultaneously determine the elastic modulus and density or thickness of ultrathin films deposited on various substrate materials. This methodology utilizes measurement of the resonant frequencies of the micro-/nanoresonator under intentionally applied axial tension and, consequently, the beam to string transition. Elastic modulus and density/thickness of thin film are obtained from the ratio between the resonant frequencies of the nanoresonator with and without applied axial force.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The alloying element dependence of the local lattice deformation and the elastic properties of Ni{sub 3}Al: A molecular dynamics simulation

Molecular dynamics (MD) together with the modified analytical embedded atom method (MAEAM) is employed to study the alloying elements (Re, Ru, Co, and Ta) dependence of the elastic properties of L1{sub 2}-Ni{sub 3}Al. The investigations indicate that the calculated elastic properties of Ni{sub 3}Al are in reasonable agreement with the previous results. The substituting formation energies of the alloying elements in Ni{sub 3}Al are calculated to determine the site preference. It is found out that Re, Ru, and Ta atoms prefer to occupy the Al sites, and the Co atom prefers to occupy the Ni site. Based on Re, Ru, and Ta substituting the 1st, 2nd, 3rd, and 4th nearest-neighbor atoms, we ascertain that the substituting manners of these alloying elements have a decisive effect on the bulk modulus and the local crystal lattice of Ni{sub 3}Al. Moreover, for Re, the bonding interaction plays a predominant role in the improvement in the bulk modulus of Ni{sub 3}Al, whereas the size effect of Ru and Ta on the improvement in the bulk modulus is more obvious. Finally, the potential reasons of which the alloying elements enhance the bulk modulus are discussed in details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Strengthening and toughening metallic glasses: The elastic perspectives and opportunities

There exist general conflicts between strength and toughness in crystalline engineering materials, and various strengthening and toughening strategies have been developed from the dislocation motion perspectives. Metallic glasses (MGs) have demonstrated great potentials owing to their unique properties; however, their structural applications are strictly limited. One of the key problems is that the traditional strengthening and toughening strategies and mechanisms are not applicable in MGs due to the absence of dislocations and crystalline microstructures. Here, we show that the strength and toughness, or equivalently the shear modulus and Poisson's ratio, are invariably mutually exclusive in MGs. Accordingly, the MGs can be categorized into four groups with different levels of integrated mechanical properties. It is further revealed that the conflicts originate fundamentally from the atomic bonding structures and the levels of strength-toughness combinations are indeed dominated by the bulk modulus. Moreover, we propose novel strategies for optimizing the mechanical properties of MGs from the elastic perspectives. We emphasize the significance of developing high bulk modulus MGs to achieve simultaneously both high strength and good toughness and highlight the elastic opportunities for strengthening and toughening materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Structural phase transition and elastic properties of hafnium dihydride: A first principles study

The structural and elastic properties of Hafnium dihydride (HfH{sub 2}) are investigated by first principles calculation based on density functional theory using Vienna ab-initio simulation package (VASP). The calculated lattice parameters are in good agreement with the available results. A pressure induced structural phase transition from CaF{sub 2} to FeS{sub 2} phase is observed in HfH{sub 2} at 10.75 GPa. The calculated elastic constants indicate that this hydride is mechanically stable at ambient condition.

36 MATERIALS SCIENCE↗