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At least 883 records · Page 49

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DOE OSTI2024

Oil-Pressure Based Apparatus for In-Situ High-Energy Synchrotron X-Ray Diffraction Studies During Biaxial Deformation

Background: Understanding biaxial loading response at the microstructural level is crucial in helping better design sheet manufacturing processes and calibrate/validate material deformation models. Objective: The objective of this work was to develop a low-cost testing apparatus to probe, with sufficient spatial resolution, the micro-mechanical response of a sheet material in-situ under biaxial loading conditions. Methods: The testing apparatus fabricated as a part of this study operates in a similar fashion to a standard bulge test and uses oil pressure to generate biaxial loading conditions. This biaxial testing apparatus was operated within a synchrotron beamline to characterize the mechanical response of a flash-processed steel sheet using in-situ high-energy X-ray diffraction (XRD) measurements. Further, the GSAS-II package was utilized to develop a workflow for the analysis of the large volume of diffraction data acquired. The workflow was then used to extract the peak position, width, and integrated intensity of the XRD peaks corresponding to the major body-centered cubic phase. Results: The equi-biaxial nature of the loading in the measured area was independently corroborated using experimental (XRD) and simulation (finite element analysis) methods. Furthermore, we discuss the evolution of elastic strain in the major body-centered cubic phase as a function of applied oil pressure and location on the steel sheet. Conclusions: A key advantage of the biaxial apparatus fabricated in this synchrotron study is demonstrated using the results obtained for the flash-processed steel sheet – i.e., mapping the lattice plane-dependent response to biaxial loading for a relatively large sample area in a spatially resolved manner.

36 MATERIALS SCIENCE↗

NASA NTRS2010

Effect of Microscopic Damage Events on Static and Ballistic Impact Strength of Triaxial Braid Composites

The reliability of impact simulations for aircraft components made with triaxial-braided carbon-fiber composites is currently limited by inadequate material property data and lack of validated material models for analysis. Methods to characterize the material properties used in the analytical models from a systematically obtained set of test data are also lacking. A macroscopic finite element based analytical model to analyze the impact response of these materials has been developed. The stiffness and strength properties utilized in the material model are obtained from a set of quasi-static in-plane tension, compression and shear coupon level tests. Full-field optical strain measurement techniques are applied in the testing, and the results are used to help in characterizing the model. The unit cell of the braided composite is modeled as a series of shell elements, where each element is modeled as a laminated composite. The braided architecture can thus be approximated within the analytical model. The transient dynamic finite element code LS-DYNA is utilized to conduct the finite element simulations, and an internal LS-DYNA constitutive model is utilized in the analysis. Methods to obtain the stiffness and strength properties required by the constitutive model from the available test data are developed. Simulations of quasi-static coupon tests and impact tests of a represented braided composite are conducted. Overall, the developed method shows promise, but improvements that are needed in test and analysis methods for better predictive capability are examined.

Littell, Justin D.↗

DOE OSTI2021

A predictive discrete-continuum multiscale model of plasticity with quantified uncertainty

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of uncertainty in the computational predictions delivered by them. In this work, a sequential multiscale model has been developed, incorporating discrete dislocation dynamics (DDD) simulations and a strain gradient plasticity (SGP) model to predict the size effect in plastic deformations of metallic micro-pillars. The DDD simulations include uniaxial compression of micro-pillars with different sizes and over a wide range of initial dislocation densities and spatial distributions of dislocations. An SGP model is employed at the continuum level that accounts for the size-dependency of flow stress and hardening rate. Sequences of uncertainty analyses have been performed to assess the predictive capability of the multiscale model. The variance-based global sensitivity analysis determines the effect of parameter uncertainty on the SGP model prediction. The multiscale model is then constructed by calibrating the continuum model using the data furnished by the DDD simulations. A Bayesian calibration method is implemented to quantify the uncertainty due to microstructural randomness in discrete dislocation simulations (density and spatial distribution of dislocations) on the macroscopic continuum model prediction (size effect in plastic deformation). Here, the outcomes of this study indicate that the discrete-continuum multiscale model can accurately simulate the plastic deformation of micro-pillars, despite the significant uncertainty in the DDD results. Additionally, depending on the macroscopic features represented by the DDD simulations, the SGP model can reliably predict the size effect in plasticity responses of the micropillars with below 10% of error.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Material Property Determinations of P-Tunnel Core in Support of UNESE

A critical component of the Underground Nuclear Explosion Signatures Experiment (UNESE) program is a realistic understanding of the post-detonation processes and changes in the environment that produce observable physical and radio-chemical signatures. Rock and fracture properties are essential parameters for modeling underground nuclear explosions. In response to the need for accurate simulations of physical and radio-chemical signatures, an experimental program to determine porosity, hydrostatic and triaxial compression, and Brazilian disc tension properties of P-Tunnel core was developed and executed. This report presents the results from the experimental program. Dry porosity for P-Tunnel core ranged from 8.7%-55%. Based on hydrostatic testing, bulk modulus was shown to increase with increasing confining pressure and ranged from 1.3GPa-42.3GPa. Compressional failure envelopes, derived from wet samples, are presented for P-Tunnel lithologies. Brazilian disc tension tests were conducted on wet samples and, along with triaxial tests, are compared with dry tests from the first UNESE test bed, Barnwell. P-Tunnel core disc tension test strength varied nearly two orders of magnitude between lithologies (0.03MPa-2.77MPa). Material tested in both tension and compression is weaker wet than dry with the exception of Strongly Welded Tuff in compression which is nearly identical in compressive strength for confining pressures of OMPa and 1 OOMPa. In addition to the inherent material properties of the rocks, fractures within the samples were quantified and characterized, in order to identify differences that might be caused by the explosion-induced damage. Finally, material property determinations are linked to optical microscopy observations. The work presented here is part of a broader material characterization effort; reports are referenced within.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Approach and rotation of reconnecting topological defect lines in liquid crystal

Topological defects are a universal concept across many disciplines, such as crystallography, liquid-crystalline physics, low-temperature physics, cosmology, and even biology. In nematic liquid crystals, topological defects called disclinations have been widely studied. For their three-dimensional (3D) dynamics, however, only recently have theoretical approaches dealing with fully 3D configurations been reported. Further, recent experiments have observed 3D disclination line reconnections, a phenomenon characteristic of defect line dynamics, but detailed discussions were limited to the case of approximately parallel defects. In this paper, we focus on the case of two disclination lines that approach at finite angles and lie in separate planes, a more fundamentally 3D reconnection configuration. Observing and analyzing such reconnection events, we find the square-root law of the distance between disclinations and the decrease of the interdisclination angle over time. We compare the experimental results with theory and find qualitative agreement on the scaling of distance and angle with time, but quantitative disagreement on distance and angle relative mobilities. To probe this disagreement, we derive the equations of motion for systems with reduced twist constant and also carry out simulations for this case. These, together with the experimental results, suggest that deformations of disclinations may be responsible for the disagreement.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Structural and mechanical properties of monolayer amorphous carbon and boron nitride

Amorphous materials exhibit various characteristics that are not featured by crystals and can sometimes be tuned by their degree of disorder (DOD). Here, we report results on the mechanical properties of monolayer amorphous carbon (MAC) and monolayer amorphous boron nitride (maBN) with different DOD. The pertinent structures are obtained by kinetic-Monte-Carlo (kMC) simulations using machine-learning potentials (MLP) with density-functional-theory (DFT)-level accuracy. An intuitive order parameter, namely the areal fraction F x occupied by crystallites within the continuous random network, is proposed to describe the DOD. We find that F x captures the essence of the DOD: Samples with the same F x but different sizes and arrangements of crystallites, obtained using two distinct kMC procedures, have virtually identical radial distributions functions as well as bond-length and bond-angle distributions. Furthermore, by simulating the fracture process with molecular dynamics, we found that the mechanical responses of MAC and maBN before fracture are mainly determined by F x and are insensitive to the sizes and specific arrangements and to some extent the numbers and area distributions of the crystallites. The behavior of cracks in the two materials is analyzed and found to mainly propagate in meandering paths in the CRN region and to be influenced by crystallites in distinct ways that toughen the material. Furthermore, the present results reveal the relation between structure and mechanical properties in amorphous monolayers and may provide a universal toughening strategy for 2D materials.

2-dimensional systems↗

DOE OSTI2023

Deformation, dislocation evolution and the non-Schmid effect in body-centered-cubic single- and polycrystal tantalum

A physically-informed continuum crystal plasticity model is presented to elucidate deformation mechanisms, dislocation evolution and the non-Schmid effect in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and thermal extremes. We show the unified structural modeling framework informed by mesoscopic dislocation dynamics simulations is capable of capturing salient features of the large inelastic behavior of tantalum at quasi-static (10 -3 s -1 ) to extreme strain rates (5000 s -1 ) and at low (77 K) to high temperatures (873 K) at both single- and polycrystal levels. Here we also present predictive capabilities of the model for microstructural evolution in the material. To this end, we investigate the effects of dislocation interactions on slip activities, instability and the non-Schmid behavior at the single crystal level. Furthermore, ex situ measurements on crystallographic texture evolution and dislocation density growth are carried out for polycrystal tantalum specimens at increasing strains. Numerical simulation results also support that the modeling framework is capable of capturing the main features of the polycrystal behavior over a wide range of strains, strain rates and temperatures. The theoretical, experimental and numerical results at both single- and polycrystal levels provide critical insight into the underlying physical pictures for micro- and macroscopic responses and their relations in this important class of refractory bcc materials undergoing large inelastic deformations.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Inelastic deformation of diamond single crystals shock compressed to multimegabar stresses: Wave profile calculations

As the archetypal strong solid, the response of diamond shock compressed to multimegabar stresses is important for fundamental science and for numerical simulations of wave profiles for applications in high energy density physics experiments. Previous experiments and analysis have shown that the commonly used hydrodynamic assumption is invalid for diamond shock compressed to stresses below melt and an elastic–inelastic description is needed. Here, we present a phenomenological material model for calculating wave profiles in shock compressed diamond single crystals that incorporates this description. Also, to support the modeling effort, we carried out wave profile measurements on shock compressed diamond single crystals at the Sandia Z facility to augment previous measurements. Wave profiles for [100] and [111] diamond calculated using the material model provide a good match to the elastic–inelastic response (observed two-wave structure) measured at ∼325 and ∼360 GPa. Furthermore, the calculated peak stresses for single (overdriven) waves provide a good match to the measured Hugoniot states for stresses reaching ∼700 GPa, which is near melting conditions. The present results show that the diamond single crystal response at multimegabar shock stresses is characteristic of a brittle solid—pressure-dependent strength and strength loss due to inelastic deformation.

Deformation↗

DOE OSTI2024

Lateral Confinement in 2D Nanoplatelets: A Strategy to Expand the Colloidal Quantum Engineering Toolbox

Among colloidal nanocrystals, 2D nanoplatelets offer a unique set of properties with exceptionally narrow luminescence and low lasing thresholds. Furthermore, their anisotropic shape expands the playground for the complex design of heterostructures where spectra but also scattering rates can be engineered. A challenge that still remains is to combine shell growth which makes NPLs stable, with spectral tunability. Indeed, most reported shelled nanoplatelets end up being red emitters due to a loss of quantum confinement. Here, the combination of both lateral and in-plane confinements within a single heterostructure is explored. A CdS/CdSe/CdS/CdZnS core–crown–crown shell structure that enables yellow emission is grown and that is responsive to a large range of excitation including visible photons, X-ray photons, electron beams, and electrical excitations. k.p simulations predict that emission tunability of up to several 100 s of meV can be obtained in ideal structures. This material also displays stimulated emission resulting from bi-exciton emission with a low threshold. Once integrated into an LED stack, this material is compatible with sub-bandgap excitation and exhibits high luminance. Scaling of the electroluminescence properties by downsizing the pixel size is also investigated.

2D materials↗

DOE OSTI2023

Cluster-Spin-Glass Magnetic Behavior and Morphology in the Coordination Polymer Alloys Fe y Co 1– y BTT

We report the synthesis of a series of pseudo-1D coordination polymer (CP) materials with the formula Fe y Co 1–y BTT (BTT = 1,3,5-benzenetrithiolate). These materials were structurally characterized by PXRD Rietveld, EXAFS, and PDF analyses, revealing that the CP superstructure enables a continuous and isomorphous alloy between the two homometallic compounds. Lower Fe loadings exhibit emergent spin glass magnetic behavior, such as memory effects and composition-dependent spin glass response time constants ranging from 6.9 × 10 –9 s to 1.8 × 10 –6 s. These data are consistent with the formation of spin clusters within the lattice. The magnetic behavior in these materials was modeled via replica exchange Monte Carlo simulation, which provides a good match for the experimentally measured spin glassing and magnetic phase transitions. Furthermore, these findings underscore how the rigid superstructure of CP and MOF scaffolds can enable the systematic tuning of physical properties, such as the spin glass behavior described here.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Chemically controlled shape-morphing of elastic sheets

Two-dimensional responsive materials that change shape into complex three-dimensional structures are valuable for creating systems ranging from wearable electronics to soft robotics. Typically, the final 3D structure is unique and predetermined through the materials’ processing. Here, we use theory and simulation to devise a distinctive approach for driving shape changes of 2D elastic sheets in fluid-filled microchambers. The sheets are coated with catalyst to generate controllable fluid flows, which transform the sheets into complex 3D shapes. A given shape can be achieved by patterning the arrangement of the catalytic domains on the sheet and introducing the appropriate reactant to initiate a specific catalytic reaction. Moreover, a single sheet that encompasses multiple catalytic domains can be transformed into a variety of 3D shapes through the addition of one or more reactants. Materials systems that morph on-demand into a variety of distinct structures can simplify manufacturing processes and broaden the utility of soft materials.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Better Radiation Response and Accident Tolerance of Nanostructured Ceramic Fuel Materials?

The objective of this research is to study structural stability and fission product behavior in nanostructured ZrO 2 and CeO 2 at temperatures and irradiation conditions relevant to operation and accidental scenarios. The fundamental understanding will support the development of innovative fuel forms. Specifically, the proposed work employs novel ion irradiation approaches, complementary characterization techniques, and advanced simulation methods to perform separate and integrated effect studies that expand the fundamental understanding of: Task (1) damage evolution in ceramic fuel materials in a controlled irradiation environment with focus in the transition energy regime where simultaneous energy deposition to both atomic and electronic structures is significant; Task (2) phase and structural stability in nanostructured fuel materials to high-temperature high-dose irradiation; and Task (3) role of the grain boundaries, surface/interface properties on migration and segregation of fission products.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2015

Computational Modeling and Experimental Characterization of Martensitic Transformations in Nicoal for Self-Sensing Materials

Fundamental changes to aero-vehicle management require the utilization of automated health monitoring of vehicle structural components. A novel method is the use of self-sensing materials, which contain embedded sensory particles (SP). SPs are micron-sized pieces of shape-memory alloy that undergo transformation when the local strain reaches a prescribed threshold. The transformation is a result of a spontaneous rearrangement of the atoms in the crystal lattice under intensified stress near damaged locations, generating acoustic waves of a specific spectrum that can be detected by a suitably placed sensor. The sensitivity of the method depends on the strength of the emitted signal and its propagation through the material. To study the transition behavior of the sensory particle inside a metal matrix under load, a simulation approach based on a coupled atomistic-continuum model is used. The simulation results indicate a strong dependence of the particle's pseudoelastic response on its crystallographic orientation with respect to the loading direction and suggest possible ways of optimizing particle sensitivity. The technology of embedded sensory particles will serve as the key element in an autonomous structural health monitoring system that will constantly monitor for damage initiation in service, which will enable quick detection of unforeseen damage initiation in real-time and during onground inspections.

Wallace, T. A.↗

NASA NTRS2016

Development of Multi-Physics Dynamics Models for High-Frequency Large-Amplitude Structural Response Simulation

An analytic approach is demonstrated to reveal potential pyroshock-driven dynamic effects causing power losses in the Thermo-Electric (TE) module bars of the Mars Science Laboratory (MSL) Multi-Mission Radioisotope Thermoelectric Generator (MMRTG). This study utilizes high-fidelity finite element analysis with SIERRA/PRESTO codes to estimate wave propagation effects due to large-amplitude suddenly-applied pyro shock loads in the MMRTG. A high fidelity model of the TE module bar was created with approximately 30 million degrees-of-freedom (DOF). First, a quasi-static preload was applied on top of the TE module bar, then transient tri-axial acceleration inputs were simultaneously applied on the preloaded module. The applied input acceleration signals were measured during MMRTG shock qualification tests performed at the Jet Propulsion Laboratory. An explicit finite element solver in the SIERRA/PRESTO computational environment, along with a 3000 processor parallel super -computing framework at NASA AMES, was used for the simulation. The simulation results were investigated both qualitatively and quantitatively. The predicted shock wave propagation results provide detailed structural responses throughout the TE module bar, and key insights into the dynamic response (i.e., loads, displacements, accelerations) of critical internal spring/piston compression systems, TE materials, and internal component interfaces in the MMRTG TE module bar. They also provide confidence on the viability of this high-fidelity modeling scheme to accurately predict shock wave propagation patterns within complex structures. This analytic approach is envisioned for modeling shock sensitive hardware susceptible to intense shock environments positioned near shock separation devices in modern space vehicles and systems.

Shock Waves↗

NASA NTRS2023

Finite Element Simulation of Three Full-Scale Crash Tests for Cessna 172 Aircraft

The NASA Emergency Locator Transmitter Survivability and Reliability project was initiated in 2013 to assess the crash performance standards for the next generation of emergency locator transmitter (ELT) systems. Three Cessna 172 aircraft were acquired to perform crash testing at the NASA Langley Research Center Landing and Impact Research Facility. Full-scale crash tests were conducted in the summer of 2015, and each test article was subjected to severe, but survivable, impact conditions including a flare-to-stall during emergency landing and two controlled-flight-into-terrain scenarios. Finite element analyses were performed to numerically simulate the aircraft response to the crash tests. The first test simulated impacting a concrete surface represented analytically by a rigid plane. Tests 2 and 3 simulated impacting a dirt surface represented analytically by an Eulerian grid of brick elements using a Mohr–Coulomb material model. The objective of this paper is to summarize the test and analysis results for the three full-scale crash tests. Simulation models of the airframe that correlate well with the tests are needed for future studies of alternate ELT mounting configurations.

Finite Element Analysis↗

NASA NTRSDate not supplied

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Two drop tests of partial Hawker 4000 fuselage sections were conducted at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) to characterize the response of representative composite aerospace structure to dynamic impact loads. Test conditions were selected to induce damage into the composite structure in order to study material failure within a composite fuselage and evaluate the capability of finite element (FE) model analysis to predict that failure. The tests were simulated using FE models which were generated to isolate the effect of developmental data availability on predictive capability. FE Models of the tested fuselage sections were generated using two limited data sets. The first model configuration was reverse engineered from the test article with no information related to design or fabrication details which would be known only by the manufacturer. The second model was generated from data provided by the manufacturer but without additional material characterization test data. Models were developed using these methodologies for both fuselage sections tested. Correlation of each model to the tests conducted was evaluated in terms of damage, deformation, and cabin acceleration measurements. Correlation between the developed models and the tested fuselage sections showed that the reverse engineered model predicted the composite damage and cabin acceleration measured during test though it was limited due to lack of detail in the composite layup changes through the structure. The model developed using manufacturer specifications did not predict damage, due to limited material and component model characterization data, but it did predict acceleration on par with the reverse engineered model. Model capability and limitation sources identified were verified through correlation of a final model which was developed by combining the individual data sets. The combined model demonstrated that the addition of calibrated composite material models to accurate composite layup definitions and detailed geometry led to improved correlation of damage and acceleration response within the composite fuselage structures.

Crashworthiness↗

NASA NTRSDate not supplied

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Crashworthiness↗

DOE OSTI2017

The Contributions of Polar Nanoregions to the Dielectric and Piezoelectric Responses in Domain-Engineered Relaxor-PbTiO 3 Crystals

The existence of polar nanoregions is the most important characteristic of relaxor-based ferroelectric materials. Recently, the contributions of polar nanoregions to the shear piezoelectric property of relaxor-PbTiO 3 (PT) crystals are confirmed in a single domain state, accounting for 50%–80% of room temperature values. For electromechanical applications, however, the outstanding longitudinal piezoelectricity in domain-engineered relaxor-PT crystals is of the most significance. In this paper, the contributions of polar nanoregions to the longitudinal properties in [001]-poled Pb(Mg 1/3 Nb 2/3 )O 3 -0.30PbTiO 3 and [110]-poled Pb(Zn 1/3 Nb 2/3 )O3-0.15PbTiO 3 (PZN-0.15PT) domain-engineered crystals are studied. Taking the [110]-poled tetragonal PZN-0.15PT crystal as an example, phase-field simulations of the domain structures and the longitudinal dielectric/piezoelectric responses are performed. According to the experimental results and phase-field simulations, the contributions of polar nanoregions (PNRs) to the longitudinal properties of relaxor-PT crystals are successfully explained on the mesoscale, where the PNRs behave as “seeds” to facilitate macroscopic polarization rotation and enhance electric-field-induced strain. The results reveal the importance of local structures to the macroscopic properties, where a modest structural variation on the nanoscale greatly impacts the macroscopic properties.

36 MATERIALS SCIENCE↗