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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Numerical simulation of a compressible homogeneous, turbulent shear flow

A direct, low Reynolds number, numerical simulation was performed on a homogeneous turbulent shear flow. The full compressible Navier-Stokes equations were used in a simulation on the ILLIAC IV computer with a 64,000 mesh. The flow fields generated by the code are used as an experimental data base, to examine the behavior of the Reynols stresses in this simple, compressible flow. The variation of the structure of the stresses and their dynamic equations as the character of the flow changed is emphasized. The structure of the tress tensor is more heavily dependent on the shear number and less on the fluctuating Mach number. The pressure-strain correlation tensor in the dynamic uations is directly calculated in this simulation. These correlations are decomposed into several parts, as contrasted with the traditional incompressible decomposition into two parts. The performance of existing models for the conventional terms is examined, and a model is proposed for the 'mean fluctuating' part.

Feiereisen, W. J.↗
DOE OSTI2025

Structure and mechanical properties of grain boundaries in molybdenum disulfide (MoS 2 )

Molybdenum disulfide (MoS 2 ) is a two-dimensional material widely used as a lubricant in many applications involving mechanical loading under a wide range of operating temperatures. Since many synthesis and processing techniques yield MoS 2 in its polycrystalline form, establishing grain boundary (GB) structure–property relations is key to designing MoS 2 microstructures with tailored properties. Here, we employ classical, reactive atomistic simulations to investigate the structure and mechanical behavior of a wide range of GBs in MoS 2 as a function of temperature. Using a bicrystal MoS 2 geometry, we characterize the atomic structure and calculate the energy of several low-angle GBs. Then, we simulate the tensile deformation behavior of MoS 2 bicrystals at several temperatures. Our results reveal that at temperatures above 100 K, the deformation of MoS 2 bicrystals is characterized by the nucleation of shear bands from GBs that grow, with subsequent loading, into the MoS 2 crystals. At low temperatures, the tensile deformation is characterized by the nucleation and propagation of deformation fronts, resulting in altered bond angles and bond lengths. Quantitative analysis reveals a decrease in the ultimate tensile stress and ultimate failure strain of MoS 2 bicrystals with the increase in temperature. Furthermore, our simulations of the mechanical behavior of metastable GBs reveal that the strength and ductility decrease with the increase in energy of these boundary structures. In broad terms, our work provides future avenues to employ GB engineering as a strategy to tailor the properties of MoS 2 microstructures.

Moore, Robert D. [Lehigh Univ., Bethlehem, PA (Uni↗
DOE OSTI2021

Imaging moiré flat bands in three-dimensional reconstructed WSe 2 /WS 2 superlattices

Moiré superlattices in transition metal dichalcogenide (TMD) heterostructures can host novel correlated quantum phenomena due to the interplay of narrow moiré flat bands and strong, long-range Coulomb interactions. However, microscopic knowledge of the atomically reconstructed moiré superlattice and resulting flat bands is still lacking, which is critical for fundamental understanding and control of the correlated moiré phenomena. Here we quantitatively study the moiré flat bands in three-dimensional (3D) reconstructed WSe 2 /WS 2 moiré superlattices by comparing scanning tunnelling spectroscopy (STS) of high-quality exfoliated TMD heterostructure devices with ab initio simulations of TMD moiré superlattices. A strong 3D buckling reconstruction accompanied by large in-plane strain redistribution is identified in our WSe 2 /WS 2 moiré heterostructures. STS imaging demonstrates that this results in a remarkably narrow and highly localized K-point moiré flat band at the valence band edge of the heterostructure. A series of moiré flat bands are observed at different energies that exhibit varying degrees of localization. Our observations contradict previous simplified theoretical models but agree quantitatively with ab initio simulations that fully capture the 3D structural reconstruction. Furthermore, our results reveal that the strain redistribution and 3D buckling in TMD heterostructures dominate the effective moiré potential and the corresponding moiré flat bands at the Brillouin zone K points.

36 MATERIALS SCIENCE↗
DOE OSTI2022

3D Bragg Coherent Diffraction Imaging of Extended Nanowires: Defect Formation in Highly Strained InGaAs Quantum Wells

InGaAs quantum wells embedded in GaAs nanowires can serve as compact near-infrared emitters for direct integration onto Si complementary metal oxide semiconductor technology. While the core–shell geometry in principle allows for a greater tuning of composition and emission, especially farther into the infrared, the practical limits of elastic strain accommodation in quantum wells on multifaceted nanowires have not been established. One barrier to progress is the difficulty of directly comparing the emission characteristics and the precise microstructure of a single nanowire. Here, in this study, we report an approach to correlating quantum well morphology, strain, defects, and emission to understand the limits of elastic strain accommodation in nanowire quantum wells specific to their geometry. We realize full 3D Bragg coherent diffraction imaging (BCDI) of intact quantum wells on vertically oriented epitaxial nanowires, which enables direct correlation with single-nanowire photoluminescence. By growing In 0.2 Ga 0.8 As quantum wells of distinct thicknesses on different facets of the same nanowire, we identified the critical thickness at which defects are nucleated. A correlation with a traditional transmission electron microscopy analysis confirms that BCDI can image the extended structure of defects. Finite element simulations of electron and hole states explain the emission characteristics arising from strained and partially relaxed regions. This approach, imaging the 3D strain and microstructure of intact nanowire core–shell structures with application-relevant dimensions, can aid the development of predictive models that enable the design of new compact infrared emitters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Numerical Simulations of Non-Newtonian Convection in Ice: Application to Europa

Numerical simulations of solid state convection in Europa's ice shell have so far been limited to consideration of Newtonian flow laws, where the viscosity of ice is strongly dependent upon temperature, predicting that a stagnant lid should form at the top (10-40%) of a convecting ice shell. Such large thicknesses seem to contradict estimates of the effective elastic thickness of Europa s ice shell during its geologically active period. Recent laboratory experiments characterize the rheology of ice as the sum of contributions from several temperature and strain rate-dependent creep mechanisms. We present the results of numerical simulations of convection within Europa s ice shell using the finite-element model Citcom, applying the non-Newtonian rheology of grain boundry sliding. Our calculations suggest a shallower brittle/ductile transition and larger interior convective velocities compared to Newtonian rheology. The flow field is time-dependent, with small, localized upwellings and downwellings at the thermal boundary layers that have minimal topographic expression at the surface.

Barr, A. C.↗
DOE OSTI2021

A variational phase-field model For ductile fracture with coalescence dissipation

A novel phase-field model for ductile fracture is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling mechanism between plasticity and fracture by degrading the fracture toughness as the equivalent plastic strain increases. The proposed model is compared with a recent alternative where plasticity and fracture are strongly coupled. Several representative numerical examples motivate specific modeling choices. In particular, a linear crack geometric function provides an “unperturbed” ductile response prior to crack initiation, and Lorentz-type degradation functions ensure that the critical fracture strength remains independent of the phase-field regularization length. In addition, the response of the model is demonstrated to converge with a vanishing phase-field regularization length. Additionally, the model is then applied to calibrate and simulate a three-point bending experiment of an aluminum alloy specimen with a complex geometry. The effect of the proposed coalescence dissipation coupling on simulations of the experiment is first investigated in a two-dimensional plane strain setting. The calibrated model is then applied to a three-dimensional calculation, where the calculated load-deflection curves and the crack trajectory show excellent agreement with experimental observations. Finally, the model is applied to simulate crack nucleation and growth in a specimen from a recent Sandia Fracture Challenge.

42 ENGINEERING↗
NASA NTRS1982

Creep crack-growth: A new path-independent integral (T sub c), and computational studies

The development of valid creep fracture criteria is considered. Two path-independent integral parameters which show some degree of promise are the C* and (Delta T)sub c integrals. The mathematical aspects of these parameters are reviewed by deriving generalized vector forms of the parameters using conservation laws which are valid for arbitrary, three dimensional, cracked bodies with crack surface tractions (or applied displacements), body forces, inertial effects, and large deformations. Two principal conclusions are that (Delta T)sub c has an energy rate interpretation whereas C* does not. The development and application of fracture criteria often involves the solution of boundary/initial value problems associated with deformation and stresses. The finite element method is used for this purpose. An efficient, small displacement, infinitesimal strain, displacement based finite element model is specialized to two dimensional plane stress and plane strain and to power law creep constitutive relations. A mesh shifting/remeshing procedure is used for simulating crack growth. The model is implemented with the quartz-point node technique and also with specially developed, conforming, crack-tip singularity elements which provide for the r to the n-(1+n) power strain singularity associated with the HRR crack-tip field. Comparisons are made with a variety of analytical solutions and alternate numerical solutions for a number of problems.

Stonesifer, R. B.↗
NASA NTRS2018

Reynolds-Stress Budgets in an Impinging Shock Wave/Boundary-Layer Interaction

Implicit large-eddy simulation (ILES) of a shock wave/boundary-layer interaction (SBLI) was performed. Comparisons with experimental data showed a sensitivity of the current prediction to the modeling of the sidewalls. This was found to be common among various computational studies in the literature where periodic boundary conditions were used in the spanwise direction, as was the case in the present work. Thus, although the experiment was quasi-two-dimensional, the present simulation was determined to be two-dimensional. Quantities present in the exact equation of the Reynolds-stress transport, i.e., production, molecular diffusion, turbulent transport, pressure diffusion, pressure strain, dissipation, and turbulent mass flux were calculated. Reynolds-stress budgets were compared with past large-eddy simulation and direct numerical simulation datasets in the undisturbed portion of the turbulent boundary layer to validate the current approach. The budgets in SBLI showed the growth in the production term for the primary normal stress and energy transfer mechanism was led by the pressure strain term in the secondary normal stresses. The pressure diffusion term, commonly assumed as negligible by turbulence model developers, was shown to be small but non-zero in the normal stress budgets, however it played a key role in the primary shear stress budget.

shock wave/boundary-layer interactio↗
DOE OSTI2026

Nanoscale strain wave generation by a piezoelectric grating from polar vortices

Nanostructures formed by spontaneously broken symmetry have provided new ways to manipulate quantum states. Specifically, topological structures with periodic spatial ordering, such as polar vortices and skyrmions, can be ideal hosts for creating engineered responses in both spatial and frequency domains. So far, however, only a few examples of such hierarchical engineering have been reported in the literature. Here we demonstrate that the spatially modulated piezoelectric response of a polar vortex structure can create strain waves with a characteristic nanoscale wavefront. Using time-resolved pump–probe resonant X-ray scattering and diffraction measurements, coupled with dynamical phase-field simulations, we show that the piezoelectric modulation of the spontaneously formed polar vortex crystal functions as an acoustic diffraction grating. This system converts incoming laterally uniform strain waves into outgoing waves with a characteristic sub-terahertz frequency, driven by an intrinsic excitation of the polar vortex crystal. Moreover, our phase-field simulations suggest that the dynamic mechanical displacements exhibiting vortex textures are generated from both space- and time-varying piezoelectric responses. Our findings illustrate a new method for generating nanoscale strain waves with unique spatial textures by tuning the hierarchical order of polar topologies to engineer new collective modes, allowing for a wide range of control through the topological lattice.

ferroelectrics↗
NASA NTRS2016

Forward Skirt Structural Testing on the Space Launch System (SLS) Program

Structural testing was performed to evaluate heritage forward skirts from the Space Shuttle program for use on the Space Launch System (SLS) program. One forward skirt is located in each solid rocket booster. Heritage forward skirts are aluminum 2219 welded structures. Loads are applied at the forward skirt thrust post and ball assembly. Testing was needed because SLS ascent loads are roughly 40% higher than Space Shuttle loads. Testing objectives were to determine margins of safety, demonstrate reliability, and validate analytical models. Two forward skirts were structurally tested using the test configuration. The test stand applied loads to the thrust post. Four hydraulic actuators were used to apply axial load and two hydraulic actuators were used to apply radial and tangential loads. The first test was referred to as FSTA-1 (Forward Skirt Structural Test Article) and was performed in April/May 2014. The purpose of FSTA-1 was to verify the ultimate capability of the forward skirt subjected to ascent ultimate loads. Testing consisted of two liftoff load cases taken to 100% limit load followed by an ascent load case taken to 110% limit load. The forward skirt was unloaded to no load after each test case. Lastly, the forward skirt was tested to 140% limit and then to failure using the ascent loads. The second test was referred to as FSTA-2 and performed in July/August of 2014. The purpose of FSTA-2 was to verify the ultimate capability of the forward skirt subjected to liftoff ultimate loads. Testing consisted of six liftoff load cases taken to 100% limit load followed by the six liftoff cases taken to 140% limit load. Two ascent load cases were then tested to 100% limit load. The forward skirt was unloaded to no load after each test case. Lastly, the forward skirt was tested to 140% limit and then to failure using the ascent loads. The forward skirts on FSTA-1 and FSTA-2 successfully carried all applied liftoff and ascent load cases. Both FSTA-1 and FSTA-2 were tested to failure by increasing the ascent loads. Failure occurred in the forward skirt thrust post radius. The forward skirts on FSTA-1 and FSTA-2 had nearly identical failure modes. FSTA-1 failed at 1.72 times limit load and FSTA-2 failed at 1.62 times limit load. This difference is primarily attributed to variation in material properties in the thrust post region. Test data were obtained from strain gages, deflection gages, ARAMIS digital strain measurement, acoustic emissions, and high-speed video. Strain gage data and ARAMIS strain were compared to finite element (FE) analysis predictions. Both the forward skirt and tooling were modeled. This allows the analysis to simulate the loading as close as possible to actual test configuration. FSTA-1 and FSTA-2 were instrumented with over 200 strain gages to ensure all possible failure modes could be captured. However, it turned out that three gages provided critical strain data. One was located in the post bore and two on the post radius. More gages were not specified due to space limitations and the desire to not interfere with the use of the ARAMIS system on the post radius. Measured strains were compared to analysis results for the load cycle to failure. Note that FSTA-1 gages were lost before failure was reached. FSTA-2 gages made it to the failure load but one of the radius gages was lost before testing began. This gage was not replaced because of the time and cost associated with disassembly of the test structure. Correlation to analysis was excellent for FSTA-1. FSTA-2 was not quite as good because there was more residual strain from previous load cycles. FSTA-2 was loaded and unloaded with 12 liftoff cases and two ascent cases before taking the skirt to failure. FSTA-1 only had two liftoff cases and one ascent case before taking the skirt to failure. The ARAMIS system was used to determine strain at the post radius by processing digital images of a speckled paint pattern. Digital cameras recorded images of the speckled paint pattern. ARAMIS strain results for FSTA-2 just prior to failure. Note a high strain location develops near the left side. This high strain compares well to analysis prediction for both FSTA-1 and FSTA-2. The strain at this location was also plotted versus limit load. Both FSTA-1 and FSTA-2 had excellent correlation between ARAMIS and analysis strains. Acoustic emission (AE) sensors were used to monitor for damage formation that may occur during testing (e.g., crack formation and growth or propagation). AE was very important because after disassembly of FSTA-1, a crack was observed in the ball fitting radius. The ball fitting did not crack on FSTA-2. AE data was used to reconstruct when the crack occurred. The AE energy versus time plot for FSTA. The energy increased considerably at 850 seconds (152% limit load), indicating a crack could have formed at this point. The only visual evidence found that could have corresponded to this was the crack that initiated in the ball fitting. The cracks in the forward skirt aluminum structures would likely have been lower energy due to a lower modulus and all that were found after failure correlated to occurring after the initial crack in the post radius. This was verified by high-speed cameras used to record the failure.

Lohrer, J. D.↗
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↗
NASA NTRS2004

The effect of simulated microgravity on bacteria from the Mir space station

The effects of simulated microgravity on two bacterial isolates, Sphingobacterium thalpophilium and Ralstonia pickettii (formerly Burkholderia pickettii), originally recovered from water systems aboard the Mir space station were examined. These bacteria were inoculated into water, high and low concentrations of nutrient broth and subjected to simulated microgravity conditions. S. thalpophilium (which was motile and had flagella) showed no significant differences between simulated microgravity and the normal gravity control regardless of the method of enumeration and medium. In contrast, for R. pickettii (that was non-motile and lacked flagella), there were significantly higher numbers in high nutrient broth under simulated microgravity compared to normal gravity. Conversely, when R. pikkettii was inoculated into water (i.e., starvation conditions) significantly lower numbers were found under simulated microgravity compared to normal gravity. Responses to microgravity depended on the strain used (e.g., the motile strain exhibited no response to microgravity, while the non-motile strain did), the method of enumeration, and the nutrient concentration of the medium. Under oligotrophic conditions, non-motile cells may remain in geostationary orbit and deplete nutrients in their vicinity, while in high nutrient medium, resources surrounding the cell may be sufficient so that high growth is observed until nutrients becoming limiting.

Non-NASA Center↗
DOE OSTI2020

Meso-scale modeling and damage analysis of carbon/epoxy woven fabric composite under in-plane tension and compression loadings

The mechanical properties and damage behaviors of carbon/epoxy woven fabric composite under in-plane tension and compression are studied at the meso-scale level through experiment and simulation. An efficient representative volume element (RVE) modeling method with consistent mesh, high yarn volume fraction and realistic geometry is proposed. The material constitutive laws with plasticity, tension-compression asymmetry and damage evolution are established for the three components - yarn, matrix and interface, respectively. Significantly different mechanical properties and damage evolutions are observed depending on loading conditions and initial geometry characteristics. It shows a non-linear stress-strain curve with clear transition region and intensive damage in tension, while a quasi-linear behavior up to facture is observed in compression with little damage prior to final fracture. Furthermore, compared to the constant Poisson's ratio with straining in compression, a dramatic increase in Poisson's ratio appears in tension. Simulation shows damage mechanisms including transverse damage, matrix damage and delamination, which all play critical roles in the property evolution. In particular, the rapid damage accumulation after elastic deformation destroys the strong bonds and causes the easy deformation of transverse yarns which results in the transition region and large Poisson's ratio in tension. All the mechanical behaviors and damage evolutions are well captured and explained with the current RVE model.

42 ENGINEERING↗
DOE OSTI2020

Deciphering atomistic mechanisms of the gas-solid interfacial reaction during alloy oxidation

Gas-solid interfacial reaction is critical to many technological applications from heterogeneous catalysis to stress corrosion cracking. A prominent question that remains unclear is how gas and solid interact beyond chemisorption to form a stable interphase for bridging subsequent gas-solid reactions. Here, we report real-time atomic-scale observations of Ni-Al alloy oxidation reaction from initial surface adsorption to interfacial reaction into the bulk. We found distinct atomistic mechanisms for oxide growth in O 2 and H 2 O vapor, featuring a “step-edge” mechanism with severe interfacial strain in O 2 , and a “subsurface” one in H 2 O. Ab initio density functional theory simulations rationalize the H 2 O dissociation to favor the formation of a disordered oxide, which promotes ion diffusion to the oxide-metal interface and leads to an eased interfacial strain, therefore enhancing inward oxidation. Our findings depict a complete pathway for the Ni-Al surface oxidation reaction and delineate the delicate coupling of chemomechanical effect on gas-solid interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Experimental Investigation of Elastodynamic Nonlinear Response of Dry Intact, Fractured and Saturated Rock

Nonlinear elastodynamic response of fractured rocks carries crucial information on fracture features that can be exploited to forecast flow properties, friction constitutive behavior and poromechanical response. Well-controlled laboratory experiments are designed to measure the nonlinear elastodynamic response of Westerly granite in three states: dry intact, dry fractured and saturated fractured. We study the effect of fracturing and saturation in modifying the elastodynamic response of the rock. Each sample is tested at a normal stress level of 15 MPa. We measure the elastodynamic response of an intact L-shaped sample of Westerly Granite subjected to normal stress oscillations of prescribed amplitudes (0.2–1 MPa) and frequencies (0.1, 1, 10 Hz). Ultrasonic waves transmitted across the sample are used to monitor the evolution of wave velocity before, during and after dynamic stressing. Furthermore, the nonlinearity of the elastodynamic response is measured in terms of: (1) the offset in normalized wave velocity; (2) the amplitude of wave velocity fluctuation during the oscillations; and (3) recovery rate of the wave velocity post-oscillation. We observe that the three nonlinearity parameters show a similar trend. Irrespective of the parameter, the nonlinearity measures higher for sample in dry-intact condition than that for dry-fractured and the saturated-fractured sample exhibits smaller nonlinearity than the dry-fractured sample. As expected, the saturated sample exhibits less nonlinearity than the dry intact and fractured samples due to the presence of interstitial fluid and the resulting increased interface stiffness. Conversely, the dry intact rock shows a higher nonlinearity than the dry fractured. We use numerical simulations to show that the presence of fracture significantly alters the strain distribution across the bulk of the sample and only the contacting asperities are highly strained, thus resulting in a decrease in the measured elastodynamic nonlinearity.

58 GEOSCIENCES↗
DOE OSTI2021

Tool-workpiece stick-slip conditions and their effects on torque and heat generation rate in the friction stir welding

Friction stir welding (FSW) has found increased applications in automotive and aerospace industries due to its advantages of solid-state bonding, no fusion and melting, and versatility in various working conditions and material combinations. However, the relationship among processing parameters, material properties, and bonding extent and fidelity remains largely empirical, primarily because of the lack of the mechanistic understanding of the tool-workpiece frictional behavior that affects our subsequent understanding of microstructural evolution and interface bonding formation. While the tool-workpiece stick-slip condition is believed to dictate the resulting torque and heat generation rate during the welding process, it remains rare and elusive to conduct a quantitative experimental measurement of such interfacial field. On the other hand, numerical simulations based on Computational Fluid Dynamics (CFD) rely on ad hoc assumptions of interfacial pressure and shear-stress conditions, but predictions can only be validated via the medium- and far-range temperature field which is known to be insensitive to the interfacial frictional behavior. This work first presents a comparison among two CFD-based simulation methodologies and the Coupled Eulerian Lagrangian (CEL) model in finite element method, the last of which uses the Coulomb friction so that the stick-slip is naturally developed. Based on the Hill-Bower similarity relationship in the contact analysis, an analytical model is developed here to prove why a constant stick-slip fraction will be developed in the steady state, to correlate the stick-slip fraction to processing parameters such as the tool spin rate, and further to derive dimensionless functions for torque and heat-generation-rate predictions. Pros and cons of various numerical approaches in predicting stick-slip are discussed, and our analytical model has been found to agree well with our numerical simulation and literature experimental results. These analyses provide the critical strain-rate and temperature fields that are needed for the bonding analysis in our future work.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Comparative analysis of plasticity-based GND density estimation methods in crystal plasticity finite element models

In crystal plasticity finite element (CPFE) simulations, accurately quantifying geometrically necessary dislocations (GNDs) is critical for capturing strain gradients in polycrystals. We compare different methods for quantifying GNDs, all of which originate from the Nye tensor, which is computed as the curl of the plastic deformation gradient. The projection technique directly decomposes the Nye tensor onto individual screw and edge dislocation components to compute GNDs. This approach requires converting a nine-component Nye tensor into densities for a larger number of dislocation systems, a fundamentally underdetermined (non-unique) process, which is resolved using L2 minimization. In contrast, when employing CPFE analysis, one could directly compute dislocation densities on each slip system using shear gradients. Projection and slip gradient methods are compared with respect to their prediction of GNDs with changing grain size, strain, and grain neighborhoods, including multigrain junctions. Although these techniques match analytical GND densities for single slip, single crystal deformation, and are consistent with anticipated overall GND trends, we find that the GND densities from projection techniques are significantly lower than those predicted from CPFE-based slip gradients in polycrystals. A suggested improvement of only using the active dislocation systems in the projection technique almost entirely resolved this mismatch.

Crystal plasticity↗
DOE OSTI2021

Simulations of crack extensions in arc-shaped tension specimens of uncharged and hydrogen-charged 21-6-9 austenitic stainless steels using cohesive zone modeling with varying cohesive parameters

Crack extensions in uncharged and hydrogen-charged side-grooved A(T) specimens of conventionally forged 21-6-9 austenitic stainless steels are simulated using the cohesive zone modeling approach. Two-dimensional plane strain finite element analyses with fixed cohesive parameters are first conducted to fit the experimental load-displacement curves. Similar analyses using varying cohesive parameters as functions of the crack extension are then conducted to fit the experimental load-crack extension and crack extension-displacement curves. The computational results with varying cohesive parameters can fit very well the experimental data. The computational results also indicate that the average cohesive energy for the hydrogen-charged A(T) specimen is lower than that for the uncharged A(T) specimen.

42 ENGINEERING↗