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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Achieving 5.9% elastic strain in kilograms of metallic glasses: Nanoscopic strain engineering goes macro

The ideal elastic limit is the upper bound of the achievable strength and elastic strain of solids. However, the elastic strains that bulk materials can sustain are usually below 2%, due to the localization of inelastic deformations at the lattice scale. In this study, we achieved >5% elastic strain in bulk quantity of metallic glass, by exploiting the more uniform and smaller-magnitude atomic-scale lattice strains of martensitic transformation as a loading medium in a bulk metallic nanocomposite. The self-limiting nature of martensitic transformation helps to prevent lattice strain transfer that leads to the localization of deformation and damage. This lattice strain egalitarian strategy enables bulk metallic materials in kilogram-quantity to achieve near-ideal elastic limit. This concept is verified in a model in situ bulk amorphous (TiNiFe)-nanocrystalline (TiNi(Fe)) composite, in which the TiNiFe amorphous matrix exhibits a maximum tensile elastic strain of similar to 5.9%, which approaches its theoretical elastic limit. As a result, the model bulk composite possesses a large recoverable strain of similar to 7%, a maximum tensile strength of above 2 GPa, and a large elastic resilience of similar to 79.4 MJ/m 3 . The recoverable strain and elastic resilience are unmatched by known high strength bulk metallic materials. This design concept opens new opportunities for the development of high-performance bulk materials and elastic strain engineering of the physiochemical properties of glasses.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Parallel three-dimensional simulations of quasi-static elastoplastic solids

Hypo-elastoplasticity is a flexible framework for modeling the mechanics of many hard materials under small elastic deformation and large plastic deformation. Under typical loading rates, most laboratory tests of these materials happen in the quasi-static limit, but there are few existing numerical methods tailor-made for this physical regime. Here, we extend to three dimensions a recent projection method for simulating quasi-static hypo-elastoplastic materials. The method is based on a mathematical correspondence to the incompressible Navier–Stokes equations, where the projection method of Chorin (1968) is an established numerical technique. We develop and utilize a three-dimensional parallel geometric multigrid solver employed to solve a linear system for the quasi-static projection. Our method is tested through simulation of three-dimensional shear band nucleation and growth, a precursor to failure in many materials. As an example system, we employ a physical model of a bulk metallic glass based on the shear transformation zone theory, but the method can be applied to any elastoplasticity model. We consider several examples of three-dimensional shear banding, and examine shear band formation in physically realistic materials with heterogeneous initial conditions under both simple shear deformation and boundary conditions inspired by friction welding.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Evidence of Nonlinear Seismic Effects in the Earth from Downhole Distributed Acoustic Sensors

Seismic velocities and elastic moduli of rocks are known to vary significantly with applied stress, which indicates that these materials exhibit nonlinear elasticity. Monochromatic waves in nonlinear elastic media are known to generate higher harmonics and combinational frequencies. Such effects have the potential to be used for broadening the frequency band of seismic sources, characterization of the subsurface, and safety monitoring of civil engineering infrastructure. However, knowledge on nonlinear seismic effects is still scarce, which impedes the development of their practical applications. To explore the potential of nonlinear seismology, we performed three experiments: two in the field and one in the laboratory. The first field experiment used two vibroseis sources generating signals with two different monochromatic frequencies. The second field experiment used a surface orbital vibrator with two eccentric motors working at different frequencies. In both experiments, the generated wavefield was recorded in a borehole using a fiber-optic distributed acoustic sensing cable. Both experiments showed combinational frequencies, harmonics, and other intermodulation products of the fundamental frequencies both on the surface and at depth. Laboratory experiments replicated the setup of the field test with vibroseis sources and showed similar nonlinear combinations of fundamental frequencies. Amplitudes of the nonlinear signals observed in the laboratory showed variation with the saturating fluid. These results confirm that nonlinear components of the wavefield propagate as body waves, are likely to generate within rock formations, and can be potentially used for reservoir fluid characterization.

58 GEOSCIENCES↗
DOE OSTI2026

Ultrasonic Resonance Techniques for Materials Research

Mechanical resonances are directly related to the physical behavior of a system at the bulk and microscopic levels. In materials science, resonant ultrasound spectroscopy (RUS) has long been a preferred nondestructive method to study mechanical resonances of solids and precisely measure quantitative material properties, namely elasticity. In recent years, advances in computational power and hardware have enabled RUS to be relevant for an increasing range of applications, such as advanced manufacturing. An extension of this technique, nonlinear RUS (NRUS), has been demonstrated to provide unmatched sensitivity to early-stage damage. NRUS was originally developed to probe geologic materials but has become a vital tool in nondestructive evaluation and materials research, offering a powerful means of quantifying and characterizing microstructural nonlinearity in a broad range of materials. This review summarizes recent developments and growth opportunities in RUS and NRUS techniques, modeling, and applications across a wide range of material systems including metals, composites, geomaterials, and explosives.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Achieving ultrahigh modulus of resilience and enhanced thermal stability in ZnO x /SU-8 interpenetrating network polymer nanocomposite nanopillars

The modulus of resilience, a mechanical property that quantifies the maximum strain energy density a material can store during elastic deformation, is a crucial parameter for materials used in flexible displays, micro/nano-electro-mechanical system (M/NEMS) actuators, and ultra-sensitive pressure sensors. In this study, ZnO x /SU-8 nanocomposite nanopillars with a diameter of 300 nm, fully infiltrated with a uniformly distributed, interpenetrating amorphous ZnO x filler network, were synthesized via vapor-phase infiltration (VPI). In-situ uniaxial nano-compression tests revealed that the modulus of resilience of ZnO x /SU-8 reaches ∼ 12 MJ/m 3 , which is an ultrahigh value among all engineering materials with comparable strength. In addition, the synthesis fidelity, inorganic infiltration depth, and mechanical performance were all significantly improved compared to VPI-synthesized AlO x nanocomposites. Thermal stability, another key requirement for M/NEMS device materials operating under extreme environments, was also notably enhanced. Furthermore, partial crystallization of the amorphous ZnO x fillers during annealing contributed to an additional increase in modulus of resilience, reaching up to ∼ 13.9 MJ/m 3 . This work presents an effective fabrication strategy for producing nanostructured organic–inorganic hybrid nanocomposites with ultrahigh modulus of resilience and superior thermal stability, paving the way for their integration into next-generation flexible displays and high-performance M/NEMS devices working under harsh environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Elastic behavior of binary and ternary refractory multi-principal-element alloys

Elastic properties are essential to the mechanical performance of materials, and therefore, can be tuned to design high-performance materials. In this study, the elastic constants of the equiatomic ternary refractory multi-principal-element alloys, NbTiV, and MoNbV, were investigated, using in-situ neutron diffraction and first-principles calculations. The experimentally measured and theoretically predicted elastic constants show a good agreement. The alloying effect of adding Ti and Mo into NbV base alloy on the elastic constants is studied. Particularly, adding Ti elements into the NbV alloy results in the increase of the Zener anisotropy ratio from 0.59 to 0.99, leading to the formation of the elastically isotropic NbTiV alloy, while the addition of Mo decreases the anisotropy ratio to 0.52. Pugh’s ratio (B/G), Cauchy pressure (C 12 -C 44 ), and Poisson’s ratio (ν) are used to predict the brittle/ductile nature of the studied alloys, which is consistent with the mechanical results. The present work provides valuable insights into the design of ductile and strong refractory high-entropy alloys by tuning the elastic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Triboelectric nanogenerator for harvesting broadband kinetic impact energy

A triboelectric generator includes a first triboelectric member, which includes a first conductive layer and an insulating triboelectric material layer disposed on the first conductive layer. The triboelectric material layer includes a first material having a first position on a triboelectric series. An elastic member, disposed against the triboelectric material layer of the triboelectric member and includes a second conductive material, has an elasticity that results in the elastic member being deformed when compressed and returning to an original non-deformed shape after being compressed. The second conductive material has a second position on the triboelectric series. A first load is coupled to the first conductive layer and with the second conductive material so that when a force compresses the elastic member charges will flow between the first conductive layer and the second conductive layer through the load.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of neighboring grain orientation on strain localization in slip bands in HCP materials

Particularly in plastically anisotropic crystals, such as hexagonal close packed (HCP) materials, plastic deformation is realized by slip acting in the small volumes within individual crystals. Here we extend a full field fast Fourier transform (FFT)-based elasto-viscoplastic formulation to simulate the development of a single slip band on either prismatic or basal planes spanning a crystal. Calculations of the strain and stress fields induced locally within the band and parent crystal, and ahead of the band/grain boundary junction in the neighboring crystal are analyzed as the slip band intensifies under increasing applied strain. We report a substantial influence of the crystallographic orientation of the nearest neighboring grain on the rate of slip band localization. Performing the analysis on two materials, CP-Ti and Mg, indicates that the strength of the material affects the rate of localization, with stronger materials tending to localize more easily. A slip band tip stress-based criterion is proposed for identifying the nearest neighbor orientations in which slip band transmission is possible and the likely slip system for which it occurs. This indicator is validated against experimental studies on commercially pure Ti, an Mg–Y alloy, and Ti–6Al–4V. Finally, we show that for low GB misorientations, the slip band is likely to transmit into another slip band of the same type in the neighbor grain, while for high GB misorientations, it is likely to transmit into one of a different type or to not transmit at all.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Physical characterization of High Entropy Alloys through Differential Scanning Calorimetry and Nanoindentation

In recent years several accelerator facilities have been limiting their beam power output not due to constraint of the accelerators but by concerns on the survivability of their targets, which in turn has led to R&D efforts into new, more resistant materials. One of these novel materials are High Entropy Alloys, the main focus of the internship project. This paper details the activities performed during the CCI 10-week internship by the authors, as well as to discuss the results obtained from said internship. The project consisted of the physical characterization of 12 batches of High Entropy Alloys (HEAs); the methods used to analyze the materials were Nanoindentation, which allows to determine the elastic modulus of the material and its hardness, and Differential Scanning Calorimetry (DSC), allowing the determination of specific heat.

Pacheco Uribe, Rene↗
DOE OSTI2026

IRMA

IRMA (In)elastic Representation of Materials As S(α,β) evaluations IRMA turns one phonon model into three outputs that usually require three separate tool chains: an evaluated nuclear-data file, predicted neutron-scattering spectra, and scattering kernels for Monte Carlo transport. The three outputs draw on a single, consistent description of the material, so the evaluation, the spectroscopy that can validate it, and the transport that uses it always agree about the physics. Nuclear data. IRMA writes ENDF-6 File 7 thermal scattering evaluations on automatically constructed (α, β) grids. This part reimplements and generalizes NJOY's LEAPR: the classic kernels reproduce freshly generated NJOY2016 tapes digit for digit and published reference tapes to about 1e-4, and the generalized paths add the exact coherent one-phonon term, anisotropic Debye-Waller tensors, coherent elastic for arbitrary crystals, and a per-species partition for polyatomic materials. The tapes feed NJOY, AMPX, FUDGE, and every transport code downstream of them. Neutron spectroscopy. The irma.spectra forward model projects the same physics onto an instrument's kinematics and resolution: INS spectra for VISION and generic indirect geometries, and 2-D S(Q,E) powder maps for direct-geometry spectrometers, from a phonopy model or straight from a phonon DOS. It can be used to predict a proposed measurement before beam time; in analysis, it supplies the calculated single-scattering counterpart of a measured spectrum, from the same material description the evaluation was built from. Monte Carlo transport. The irma.ncrystal exporter writes per-temperature scattering kernels for the companion NCrystal plugin, so McStas, OpenMC, and other NCrystal-aware codes sample the same physics. The exported kernels carry the per-site anisotropic Debye-Waller tensors, keeping directional coherent-elastic physics that NCrystal's standard scalar treatment does not represent. With the same physics inside a transport code, an entire beamline becomes a virtual experiment: IRMA's end-to-end validation ran a custom McStas implementation of the ARCS spectrometer, assembled from the existing McVine and McStas models, against measured data. From a bare crystal structure. The irma mlip front end builds the phonon model itself: a structure file and a choice of potential are enough. Nine pretrained machine-learned interatomic potentials are supported, on a laptop CPU, with no first-principles calculation; an approximate phonon model for a new material costs minutes, not a DFT campaign, and the build emits prefilled inputs for all three outputs. The result is a good starting point rather than a finished evaluation: survey-quality physics with every parameter exposed for review. A converged atomistic calculation enters the same way, as a phonopy model, when higher fidelity is needed.

Ramic, Kemal [Oak Ridge National Laboratory (ORNL)↗
DOE OSTI2023

Modeling and characterizing the elastodynamic response of octet-truss lattice structures using resonance techniques

Characterization of additively manufactured materials and structures is an ongoing effort for the advanced manufacturing community. This article will investigate an approach using resonant spectral ultrasound (RUS) to measure the effective elastic constants of an Octet Truss lattice and apply the results to continuum bases models representing the lattice regions in different structures. The study is focused on simple lattices structures fabricated from Ti5553 using a laser powder bed fusion process (LBPF). Solid and lattice samples are measured to determine RUS estimates for the elastic properties of the bulk material and the effective elastic properties of the lattice structure. The estimated elastic properties are then incorporated into 3d finite element models using a continuum approximation of the physical AM parts. Comparisons show good agreement between the experimentally measured eigen frequencies of the Ti5553 LBPF parts and the eigen frequencies calculated using the continuum approximations based on the effective RUS elastic properties. The current results suggest there is additional physics and geometrical effects that are accounted for in the RUS continuum approximation of the lattice that are not captured in the full 3d finite element model of the parts utilizing only the base material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A model for oblique impacts on material surfaces

Many practical situations of material damage, wear, and erosion involve collisions between small particles and surfaces at inclined angles. While there are many well-validated models of normal incidence impact situations, elastic-plastic models for oblique incidence impact events are lacking. Here the finite element method is used to predict the normal and tangential coefficient of restitution in oblique impacts for hard, elastic spheres impacting an elastic-perfectly plastic material surface. The proposed model covers various impact angles ranging from 0° to 45°, within a limiting impact velocity below which the effects of heating are negligible. The normal coefficient of restitution follows power-laws with respect to normalized values of the impact velocity. Interestingly, the tangential coefficient of restitution follows a linear relationship with impact velocity. Together, these results provide a semi-empirical set of equations predicting oblique impact rebounds (both velocity and trajectory) for a wide range of conditions and material properties, with which experimental results can be rapidly interpreted. As a result, Laser-Induced Particle Impact Test (LIPIT) data are also presented for aluminum particles impacting aluminum substrates, at impact angles of 25° and 40°; the results compare favorably with the model and validate the general use of such models for the analysis of experimental data.

Coefficient of restitution↗
DOE OSTI2024

Acoustoelastic characterization of plates using zero group velocity Lamb modes

Acoustoelasticity, a characteristic of material anharmonicity, gives rise to a link between wave propagation velocity and the stress state in materials. Ultrasonic techniques to monitor this coupling, particularly with high sensitivity and in a noncontact manner, can have widespread application both in the quantification of applied and residual stress and in the characterization of nonlinear material behavior through measurement of higher order elastic constants. Here, we use a laser ultrasonic technique to excite and detect zero group velocity (ZGV) Lamb wave resonances in aluminum plates under uniaxial loading. A laser line source is used to excite these resonances at different orientations with respect to the applied load, and the signals are detected using an interferometer. The effects of stress and source orientation on ZGV resonance frequencies are validated using the theory of acoustoelastic Lamb wave propagation. In addition, a model-based inversion technique is used to extract Murnaghan's third-order elastic constants from measurements of the stress dependence of the first two ZGV modes generated parallel and perpendicular to the applied load. Laser generation and detection of ZGV resonances is shown to be an effective and powerful approach for the noncontact and nondestructive acoustoelastic characterization of elastic waveguides.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Statistical Homogenization of Elastic and Fracture Properties of a Sample Selective Laser Melting Material

Selective laser melting (SLM) is an additive manufacturing technique commonly used in the rapid prototyping of components. The complexity of the SLM microstructure poses a unique challenge to deriving effective mechanical properties at different length scales. Representative volume elements (RVEs) are often used to homogenize the material properties of composites. Instead of RVEs, we use statistical volume elements (SVEs) to homogenize the elastic and fracture properties of the material. This relates the inherent variation of a material’s microstructure to the variation in its mechanical properties at different observation scales. The convergence to the RVE limit is examined from two perspectives: the stability of the mean value as the SVE size increases for the mean-based approach, and the tendency of the normalized variation in homogenized properties to zero as the SVE size increases for the variation-based approach. Fracture properties tend to make the RVE limit slower than do elastic properties from both perspectives. There are also differences between vertical (normal to printing plane) and horizontal (in-plane) properties. While the elastic properties tend to make the RVE limit faster for the horizontal direction, i.e., having a smaller variation and more stable mean value, the fracture properties exhibit the opposite effect. We attributed these differences to the geometry of the melt pools.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Multiscale plasticity of geomaterials predicted via constrained optimization‐based granular micromechanics

Abstract A general framework to derive nonlinear elastic and elastoplastic material models from granular micromechanics is proposed, where a constraint‐based variational structure is introduced to classical grain contact‐based homogenization methods of hyperelasticity. Like the classical hyperelastic methods, reference solutions for closed‐form hyperelastic material models are analytically derived from the grain‐scale contact mechanics. However, unlike prior methods, the proposed homogenization framework defines closed‐form hyperelastoplastic material models that extend multiscale variational methods to granular plasticity. The proposed framework is used to develop novel granular micromechanics‐based macroscopic models for a Mises type solid, Drucker–Prager type plasticity, and grain‐contact cohesive‐debonding with a deviatorically and volumetrically coupled nonlinearly elastic response. Macroscopic plastic parameters and yield criteria are explicitly related to their microscale counterparts, for example, the friction coefficient governing intergranular slip. Numerical examples and comparison to measurements from the literature, including triaxial compaction of concrete, are provided to investigate model predictions and demonstrate calibration to experimental data.

Bryant, E. C.↗
DOE OSTI2023

Implementation of extrinsic cohesive zone model (ECZM) in 2D finite-discrete element method (FDEM) using node binding scheme

The combined finite-discrete element method (FDEM) has been widely used for rock fracturing simulations. Conventionally, FDEM is realized using the intrinsic cohesive zone model (ICZM); however, it has the drawback of artificial compliance and high computational expense. As a complement, the extrinsic cohesive zone model (ECZM) is seen to be realized in FDEM recently, whereas the node splitting scheme utilized is cumbersome. Here, within the framework of ICZM-based FDEM, we propose a node binding scheme to efficiently bind the pre-discretized finite elements and thus guarantee the continuum behavior of materials in the elastic stage. The yield surfaces, controlled by ECZM, are dynamically embedded by invoking the pre-inserted cohesive elements. The effectiveness and efficiency of the proposed approach are validated and tested by performing a suite of numerical experiments. Compared with ICZM-based FDEM, the proposed approach can correctly capture material deformation and reduce the computation cost. In contrast to the existing ECZM-based FDEM, the proposed approach can overcome the frequent and complex element topology updating. Finally, this work provides a novel perspective that fully inherits the advantages of both ICZM and ECZM, but circumvents their shortcomings, which guarantees a more efficient and effective simulation of brittle material evolution from continuum to discontinuum.

58 GEOSCIENCES↗
DOE OSTI2023

Irradiation Behavior of Piezoelectric Materials for Nuclear Reactor Sensors

In-situ measurement of surface acoustic wave (SAW) resonators were used to characterize piezoelectric materials behavior in a nuclear reactor environment. Lithium niobate and aluminum nitride devices were tested up to 500°C temperature and 450 kW reactor power (1.9x10 12 n/cm 2 s). The resonant frequency responds to step changes in temperature and power. Materials’ response are inferred from the observed resonant frequency changes, in particular the kinetic behavior is used to determine mechanisms responsible for observed changes. The observed response is attributed to two mechanisms: temperature increase from gamma heating and accumulation of radiation-induced defects. Both of these mechanisms alter the physical properties of the piezoelectric materials, particularly the elastic constants. The demonstrated repeatability and reliability of SAW devices are attractive for sensor applications in extreme environments.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Demonstrating resonant ultrasound spectroscopy as a viable technique to characterize thermally conditioned high explosive materials

We present results of resonant ultrasound spectroscopy (RUS) measurements applied to granular high explosive materials at different bulk pressing densities and degree of thermal conditioning. The material chosen in this study is a ubiquitously used explosive material known as pentaerythritol tetranitrate (PETN), which is used commercially in civil and defense applications both as a binderized plastic bonded explosive material and an unbinderized neat material. However, changes in granular PETN bulk elastic properties due to thermal conditioning, which could have implications for better understanding environmental aging-related effects, have not been well studied even though it is believed that elasticity may play an important role in explosive material initiation mechanisms. Furthermore, monitoring elastic property changes in granular explosive pressings has not yet been demonstrated using RUS, which is an appealing non-destructive characterization tool that requires only dry point contact with the explosive material. To this end, we report the first study using RUS to quantify the elastic properties of binderized and neat PETN pressings as well as to quantify changes in elastic properties as a function of both thermal conditioning and bulk pressing density. Elastic stiffness coefficients, sometimes more commonly referred to as elastic constants, calculated from the RUS measurements on the different PETN-based materials show a significant increase for the post-conditioned samples compared to the pre-conditioned samples. This trend of increasing elastic properties with thermal conditioning was consistent for different density pressings, different thermal exposure conditions, and even different neat PETN pressings of differing average crystal sizes and/or specific surface areas.

36 MATERIALS SCIENCE↗