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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta

Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Macro-micro multiscale modeling to assist the design of HPDC Al castings microstructure and alloys for EV super-large body structures (Phase 1)

Implementation of High Pressure Die Casting (HPDC) Aluminum (Al) body structures for high volume electrified vehicles (EV) to improve electric efficiency remains a key strategy within many original equipment manufacturer (OEM)s. In addition to high strength for safety requirements, superior Self-Piercing Riveting (SPR) performance is demanded for HPDC Al alloys to be compatible with high volume SPR joining. In this work, it is proposed to extend and validate an existing Contractor finite element multiscale macro-micro modeling approach to quantify the influence of the microstructure of HPDC alloys on the fracture strain/displacement under 3-point bend and clinch testing. The success of this work will allow to replace solution treatment stage with low energy consumption heat treatment (HT) processes, or to design new non heat treatable (NHT) HPDC Al alloys to eliminate HT requirements. Ultimately, this project will facilitate the application of HPDC Al alloys for super-large vehicle structures to significantly reduce vehicle weight, and thus improving energy efficiency. The purpose of this project is to extend and validate an existing finite element code, which is based on the Contractor developed macro-micro multi-scale modeling approach, to numerically simulate the three-point bending and clinch test and study the influences of material microstructural characteristics and phase properties on the rivetability. The macro-micro modeling approach begins with a sample scale model and identify the location, which is mostly prone to failure, the deformation history of the boundaries of that location calculated will be used to drive a microstructure-based sub-models where the material microstructure and microscale properties are considered. Using this approach, the wrap-bending failure for two Al alloys are correctly predicted for the first time. This will start with phase I effort of building a framework of macro-micro three point bending test and clinch test of Al10SiMgMn HPDC alloy in the as-cast and T7 heat treated conditions. Those results will then be validated with experimental test results. The phase II effort will involve the utilization of the knowledge learned in phase I to establish the quantitative correlation between the microstructure characteristics and the riveting performance, which will be further used to guide the optimization of HPDC Al alloy microstructure using heat treatment process to achieve sufficient rivetability to join large thin-wall HPDC alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulation-trained machine learning models for Lorentz transmission electron microscopy

Understanding the collective behavior of complex spin textures, such as lattices of magnetic skyrmions, is of fundamental importance for exploring and controlling the emergent ordering of these spin textures and inducing phase transitions. It is also critical to understand the skyrmion–skyrmion interactions for applications such as magnetic skyrmion-enabled reservoir or neuromorphic computing. Magnetic skyrmion lattices can be studied using in situ Lorentz transmission electron microscopy (LTEM), but quantitative and statistically robust analysis of the skyrmion lattices from LTEM images can be difficult. In this work, we show that a convolutional neural network, trained on simulated data, can be applied to perform segmentation of spin textures and to extract quantitative data, such as spin texture size and location, from experimental LTEM images, which cannot be obtained manually. This includes quantitative information about skyrmion size, position, and shape, which can, in turn, be used to calculate skyrmion–skyrmion interactions and lattice ordering. We apply this approach to segmenting images of Néel skyrmion lattices so that we can accurately identify skyrmion size and deformation in both dense and sparse lattices. The model is trained using a large set of micromagnetic simulations as well as simulated LTEM images. This entirely open-source training pipeline can be applied to a wide variety of magnetic features and materials, enabling large-scale statistical studies of spin textures using LTEM.

McCray, Arthur R. C. (ORCID:0000000160774698)↗
DOE OSTI2021

The 3D printing and modeling of functionally graded Kelvin foams for controlling crushing performance

Mechanical impact protection is an important consideration in many applications, ranging from product transportation to sports. Cellular materials are typically used due to their desirable energy absorption properties and light weight. However, their large deformation and rate dependent responses (especially of polymer foams) are challenging to consider in design. Additionally, the use of foams with uniform properties, such as uniform density and uniform stiffness, often restricts the designed foams to only be suitable for a narrow range of mechanical impact conditions whereas real applications commonly face unpredictable situations. 3D printing offers fabrication flexibility and thus opens the door to create foams with tailored properties. In this work, we investigate the feasibility of using 3D printing for functionally graded foams (FGFs) that are optimal over a broad range of mechanical environments. The foams are fabricated by the recently developed grayscale digital light processing (g-DLP) method which can print parts with locally designed properties. These foams are tested under drop test conditions and with slower displacement control. We also model the large deformation behavior of FGFs using finite element analysis in which we account for the different viscoelastic behaviors of the distinct grayscale regions. We then use the model to examine the impact mitigation capabilities of FGFs in different loading scenarios. Finally, we show how FGFs can be used to satisfy real-world design goals using the case study of a motorcycle helmet. In contrast to prior work, we investigate continuous, functionally graded foams of a single density that differ in their viscoelastic responses. This work provides further insight into the benefits of viscoelastic properties and modulus graded foams and presents a manufacturing approach that can be used to produce the next generation of flexible lattice foams as mechanical absorbers.

3D printing↗
DOE OSTI2025

Investigation of an octupole breathing mode of 208 Pb as a resolution to the elliptical-to-triangular azimuthal anisotropy puzzle in ultracentral relativistic heavy ion collisions

Relativistic heavy ion collisions provide a unique opportunity to probe the nuclear structure by taking an instantaneous snapshot of the colliding nuclei and converting it into momentum anisotropies of final emitted hadrons. A long-standing puzzle of too large a ratio of the elliptical-to-triangular (𝑣 2 -to-𝑣 3 ) anisotropies in ultracentral 208 Pb + 208 Pb collisions at the Large Hadron Collider (LHC) cannot be solved simply by hydrodynamic simulations with initial conditions containing the spherical or certain deformed shape of 208 Pb. Here, in this Letter, using the iEBE-VISHNU relativistic viscous hydrodynamic hybrid model simulations with the TR⁢ENTo initial condition, we show that a dynamic octupole deformation—a shape-breathing mode of 208 Pb —could potentially solve the 𝑣2-to-𝑣3 puzzle and simultaneously describe the 𝑣 3 ⁡{4} data measured in experiment. Our results highlight the unique capability of capturing transient collective properties of nuclei on yoctosecond (10 −24 s) timescales, unfeasible with low-energy nuclear reactions.

Xu, Hao-jie [Huzhou University, Zhejiang (China)] ↗
DOE OSTI2023

Crystal plasticity finite element simulation of lattice rotation and x-ray diffraction during laser shock compression of tantalum

Here we present a crystal plasticity model tailored for high-pressure, high-strain-rate conditions that uses a multiscale treatment of dislocation-based slip kinetics. We use this model to analyze the pronounced plasticity-induced lattice rotations observed in shock-compressed polycrystalline tantalum via in situ x-ray diffraction. By making direct comparisons between experimentally measured and simulated texture evolution, we can explain how the details of the underlying slip kinetics control the degree of lattice rotation that ensues. Specifically, we show that only the highly nonlinear kinetics caused by dislocation nucleation can explain the magnitude of the rotation observed under shock compression. We demonstrate a good fit between our crystal plasticity model and x-ray diffraction data and exploit the data to quantify the dislocation nucleation rates that are otherwise poorly constrained by experiment in the dynamic compression regime.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simulation of Multiphase Flow and Poromechanical Effects Around Injection Wells in CO 2 Storage Sites

In geological CO 2 storage operations, wellbore deformations and leakage pathways formations can occur around injection and abandoned wells subjected to high rates and long-term CO 2 injection. To guide engineering design and prevent CO 2 leakage risks, a full understanding of the underlying physics and robust numerical models is necessary to evaluate the response of underground formations in the near wellbore region and in the reservoir. In this study, a multi-scale and multi-physics open-source simulator (GEOS) is used to simulate multiphase flow and poromechanical deformations over time in three dimensions. The governing equations for mechanical deformations of the rock body and multiphase compositional fluid flow within the rock matrix are solved with a fully coupled finite element and finite volume approach. The Drucker–Prager model with friction hardening is applied to simulate elastoplastic deformation and a multiphase fluid model with power-law correlations for relative permeability is used to model the migration of CO 2 plume, which are coupled with numerical implicit scheme. Simulation results are verified against multiple analytical solutions for multiphase flow and wellbore problems, thus demonstrating the accuracy of this advanced simulator. In two engineering applications, here we highlight the impact of elastoplastic deformation and coupled modeling for assessing induced displacements and stress perturbations, which are more pronounced in the near wellbore regions. This work focuses on short-term processes in the vicinity of injection wells where stress evolutions, rock deformations and multiphase compositional flow and transport are simulated jointly to ensure wellbore stability and prevent damage. This fully coupled geomechanical model can simulate multiphase flow and any associated poromechanical effects within the CO 2 storage site and in the surrounding formations. Such a large-scale, long-term, multi-physics simulation model is useful in many ways: it can guide operational decisions for CO 2 injection, assess the containment potential and risks of a site, and analyze the wellbore stability and integrity during and after CO 2 injection.

58 GEOSCIENCES↗
DOE OSTI2023

Type 2 diabetes impairs annulus fibrosus fiber deformation and rotation under disc compression in the University of California Davis type 2 diabetes mellitus (UCD-T2DM) rat model

Abstract Understanding the biomechanical behavior of the intervertebral disc is crucial for studying disease mechanisms and developing tissue engineering strategies for managing disc degeneration. We used synchrotron small-angle X-ray scattering to investigate how changes to collagen behavior contribute to alterations in the disc’s ability to resist compression. Coccygeal motion segments from 6-month-old lean Sprague-Dawley rats ( n=7) and diabetic obese University of California Davis type 2 diabetes mellitus (UCD-T2DM) rats ( n=6, diabetic for 68±7 days) were compressed during simultaneous synchrotron scanning to measure collagen strain at the nanoscale (beamline 7.3.3 of the Advanced Light Source). After compression, the annulus fibrosus was assayed for nonenzymatic cross-links. In discs from lean rats, resistance to compression involved two main energy-dissipation mechanisms at the nanoscale: (1) rotation of the two groups of collagen fibrils forming the annulus fibrosus and (2) straightening (uncrimping) and stretching of the collagen fibrils. In discs from diabetic rats, both mechanisms were significantly impaired. Specifically, diabetes reduced fibril rotation by 31% and reduced collagen fibril strain by 30% (compared to lean discs). The stiffening of collagen fibrils in the discs from diabetic rats was consistent with a 31% higher concentration of nonenzymatic cross-links and with evidence of earlier onset plastic deformations such as fibril sliding and fibril–matrix delamination. These findings suggest that fibril reorientation, stretching, and straightening are key deformation mechanisms that facilitate whole-disc compression, and that type 2 diabetes impairs these efficient and low-energy elastic deformation mechanisms, thereby altering whole-disc behavior and inducing the earlier onset of plastic deformation.

Rosenberg, James L.↗
DOE OSTI2020

Ultracentral Collisions of Small and Deformed Systems at RHIC

We study a range of collision systems involving deformed ions and compare the elliptic and triangular flow harmonics produced in a hydrodynamics scenario versus a color glass condensate (CGC) scenario. For the hydrodynamics scenario, we generate initial conditions using TRENTO and work within a linear response approximation to obtain the final flow harmonics. For the CGC scenario, we use the explicit calculation of two-gluon correlations taken in the high-p T “(semi)dilute-(semi)dilute” regime to express the flow harmonics in terms of the density profile of the collision. Here, we consider ultracentral collisions of deformed ions as a testbed for these comparisons because the difference between tip-on-tip and side-on-side collisions modifies the multiplicity dependence in both scenarios, even at zero impact parameter. We find significant qualitative differences in the multiplicity dependence obtained in the initial conditions+hydrodynamics scenario and the CGC scenario, allowing these collisions of deformed ions to be used as a powerful discriminator between models. We also find that sub-nucleonic fluctuations have a systematic effect on the elliptic and triangular flow harmonics which are most discriminating in 0–1% ultracentral symmetric collisions of small deformed ions and in 0–10% d197Au collisions. The collision systems we consider are 238 U 238 U, d 197 Au, 9 Be 197 Au, 9 Be 9 Be, 3 He 3 He, and 3 He 197 Au.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Vortex splitting in two-dimensional fluids and non-neutral electron plasmas with smooth vorticity profiles

Initially, elliptical, quasi-two-dimensional (2D) fluid vortices can split into multiple pieces if the aspect ratio is sufficiently large due to the growth and saturation of perturbations known as Love modes on the vortex edge. Presented here are experiments and numerical simulations, showing that the aspect ratio threshold for vortex splitting is significantly higher for vortices with realistic, smooth edges than that predicted by a simple “vortex patch” model, where the vorticity is treated as piecewise constant inside a deformable boundary. The experiments are conducted by exploiting the E × B drift dynamics of collisionless, pure electron plasmas in a Penning–Malmberg trap, which closely model 2D vortex dynamics due to an isomorphism between the Drift–Poisson equations describing the plasmas and the Euler equations describing ideal fluids. The simulations use a particle-in-cell method to model the evolution of a set of point vortices. The aspect ratio splitting threshold ranges up to about twice as large as the vortex patch prediction and depends on the edge vorticity gradient. This is thought to be due to spatial Landau damping, which decreases the vortex aspect ratio over time and, thus, stabilizes the Love modes. Near the threshold, asymmetric splitting events are observed in which one of the split products contains much less circulation than the other. These results are relevant to a wide range of quasi-2D fluid systems, including geophysical fluids, astrophysical disks, and drift-wave eddies in tokamak plasmas.

Physics↗
DOE OSTI2020

Discrete element modeling of switchgrass particles under compression and rotational shear

Switchgrass is a perennial herbaceous plant regarded as a biomass energy crop in the United States for its highadaptability and yield potential. Processing and handling of switchgrass particles are challenging due to the erratic mechanical and flow behavior originating from their intrinsic particulate properties. Here, we present a bonded-sphere discrete element model designed specifically for switchgrass particles. The model simultaneously captures three key particulate features, i.e., fibrous particle shapes, a wide range of particle sizes, and particle deformability. Realistic yet computationally efficient particle shape templates are created based on the image analysis data of switchgrass specimens. A fitting procedure is proposed to ensure both the particle width and length distributions are captured, a unique requirement for fibrous particles. Two full-scale numerical models, i.e., a uniaxial compression model and a Schulze ring shear model, are developed using information fromphysical experiments. The model is calibrated using experimental data of chopped-small switchgrass specimens, and then, is validated using data of chopped-large specimens in both compression and ring-shear tests. Numerical results show that the numerical models capture bulk densities accurately (with an error of 3%) while slightly underestimate the bulk friction angle. Furthermore, an extensive sensitivity analysis reveals that (1) switchgrass particles with rougher edges (due to different processing techniques) exhibit a higher shear strength and a lower flowability; (2) stiffer particles yield a lower bulk density (up to 21% lower) compared to more deformable particles, indicating particle deformability should be incorporated when modeling biomass flow in a preprocessing system.

09 BIOMASS FUELS↗
DOE OSTI2023

Bending and shear improvements in 3D-printed core sandwich composites through modification of resin uptake in the skin/core interphase region

Fused deposition modeling (FDM) printed polymers are rarely used as a structural material due to anisotropic and low mechanical properties compared with conventional composites. In recent years, greater need has been expressed for recycling of materials, such as recyclable FDM, at the end of service life to reduce environmental pollution and manufacture cost. However, how the amount of resin uptake in the skin and skin/core interphase affects the bending and shear performance of the sandwich composites when replacing the low strength and ductile core (conventional core) with a high strength and brittle core (FDM printed PLA (polylactic acid) core) still remains unclear. A new manufacturing routine is needed to improve the incorporation of FDM printed polymers in composite structures. In this work, FDM printed PLA was used as core material and sandwiched between two unidirectional glass fiber reinforced polymer (GFRP) skins to form a sandwich composite by compression-molding (CM) process, which provides a good manufacturing strategy for skin/core interphase modification. The significance of the CM process is proved by investigating the effect of resin uptake on bending and in-plane/out-of-plane shear performances. Current first order shear deformation (FSDT) theory lacks a direct connection between the in-plane shear stress and out-of-shear stress in the core region of sandwich composites. With the help of DIC, a connection between the in-plane shear and the out-of-plane shear strain was built and in-plane shear properties can acquire through out-of-plane shear properties, hence reducing the redundancy of sample preparation or the need for simulation. A significant improvement was found compared with the optimized resin uptake (Optimized resin uptake range: 20.43%–22.86 wt%) 3D-printed PLA core sandwich composite and lowest performance sandwich composite (Improvement: in-plane shear strength (~34%)/modulus (~29%), out-of-plane shear strength (~25%)/modulus (~31%), specific peak bending load (~19%)). Finally, compared with balsa core sandwich composites, the 3D-printed cores are suitable for use in composite sandwich structures in many applications with a satisfactory strength-to-weight ratio.

3D-printed core sandwich composite↗
DOE OSTI2023

Electrochemical Response of Alkaline Batteries Subject to Quasi-Static and Dynamic Loading

We report electrochemical changes were successfully monitored through the coupling of external loading, electrochemical impedance spectroscopy (EIS), and distribution of relaxation times (DRT) analysis. The development of the testing methods allows for detailed observation of changes due to mechanical loading and distinguishes responses between different cell geometries. Comparison of the force vs displacement, voltage vs displacement, and distribution of relaxation times plots to the different cell geometries display failure modes specific to geometry as well as the impact of different loading profiles. Numerical modeling confirmed the movement within individual cells and predicted locations with the most deformation based on the external loading condition applied. The results gathered from combining mechanical loading, electrochemical response, and numerical modeling, yield a viable approach to establishing an improved understanding of the effects of mechanical loading on the electrochemical response of multiple battery geometries and the methods herein may be extensible to additional battery chemistries.

25 ENERGY STORAGE↗
DOE OSTI2020

A new soil mixing layer model for simulating conservative solute loss from initially saturated soil to surface runoff

Surface water pollution due to solute loss from soil to surface runoff is a serious threat to the environment, and it is of great significance to predict the solute loss. While soil mixing layer theory has been widely used to predict the solute loss, it has been observed that the conventional soil mixing layer models with constant mixing layer depth underestimate solute concentration in surface runoff, and thus underestimate the solute loss after surface runoff starts. This study introduced a new soil mixing layer model with a new concept that the mixing layer depth increases downward with time after surface runoff occurs. This new concept was implemented by adding a mixing front between the soil mixing layer and its underlying soil layer, which is conceptually similar to the wetting front of soil infiltration given by the Green-Ampt equation. This is equivalent to treating the soil mixing layer as a deforming control volume. A mechanistic explanation for the new model was presented. This study also developed a closed form solution of the new model. The new model was evaluated by simulating five laboratory experiments conducted by two groups of researchers. The first two experiments have ponding water, and consider different drainage and runoff conditions at both early and late runoff times. The other three experiments do not have ponding water, and consider different infiltration conditions at the bottom of soil boxes. Simulation results of the five experiments show that the new model resolves the underestimation problem of conventional soil mixing layer models. The new model is subject to a total of six limits such as that the new model only considers conservative solute. Three limits are related to the assumptions used to derive the closed form solution, and they may be alleviated in a future research as briefly discussed at the end of the paper.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Validation of material models for puncture of 7075-T651 aluminum plate

Plate puncture simulations are challenging computational tasks that require advanced material models including high strain rate and thermal-mechanical effects on both deformation and failure, plus finite element techniques capable of representing large deformations and material failure. The focus of this work is on the material issues, which require large sets of experiments, flexible material models and challenging calibration procedures. In this study, we consider the puncture of 12.7 mm thick, 7075-T651 aluminum alloy plates by a cylindrical punch with a hemispherical nose and diameter of 12.7 mm. The plasticity and ductile failure models were isotropic with calibration data obtained from uniaxial tension tests at different temperatures and strain rates plus quasi-static notched tension tests and shear-dominated tests described here. Sixteen puncture experiments were conducted to identify the threshold penetration energy, mode of puncture and punch acceleration during impact, The punch was mounted on a 139 kg mass and dropped on the plates with different impact speeds. Since the mass was the same in all tests, the quantity of interest was the impact speed. The axis and velocity of the punch were perpendicular to the plate surface. The mean threshold punch speed was 3.05 m/s, and the mode of failure was plugging by thermal-mechanical shear banding accompanied by scabbing fragments. Application of the material models in simulations of the tests yielded accurate estimates of the threshold puncture speed and of the mode of failure. Time histories of the punch acceleration compared well between simulation and test. Remarkably, the success of the simulations occurred in spite of even the smallest element used being larger than the width of the shear bands.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermoplasticity of metallic glasses: Processing and applications

Owing to their extremely low shear viscosity and fragility, bulk metallic glasses (BMGs) are envisioned as new net-shaping material replacing conventionally used crystalline metals for various applications. The first part of this review describes the general technique and kinetics of thermoplastic forming. The second part elaborates on the thermal processing capability of metallic glasses from atomic- to meter-scale. The micro-/nano-structure obtained after various quenching rates followed by temperature, time and heating rate dependent thermoplastic forming is described in the third section. The deformation behavior and flow kinetics of BMGs in terms of composition, mold features, and applied conditions are elaborated in the fourth section. The variation of volume and enthalpy at the supercooled liquid region, strength retention of metallic glasses compared to other conventional metals and alloys, and kinetics of liquid fragility are given in the fifth section. Finite element modeling and molecular dynamics simulations of high-temperature deformation in BMGs are presented in the sixth part. Finally, thermally-formed BMGs used for different applications, including energy, biomedical and micro-optics, are presented in the final part. Altogether, this review provides an overview of shaping capabilities and modifications in the macro-scale properties and short-to-medium range order of BMGs upon thermoplastic forming.

36 MATERIALS SCIENCE↗