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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Earthquake recurrence on the southern San Andreas modulated by fault-normal stress

Earthquake recurrence data from the Pallett Creek and Wrightwood paleoseismic sites on the San Andreas fault appear to show temporal variations in repeat interval. We investigate the interaction between strike-slip faults and auxiliary reverse and normal faults as a physical mechanism capable of producing such variations. Under the assumption that fault strength is a function of fault-normal stress (e.g. Byerlee's Law), failure of an auxiliary fault modifies the strength of the strike-slip fault, thereby modulating the recurrence interval for earthquakes. In our finite element model, auxiliary faults are driven by stress accumulation near restraining and releasing bends of a strike-slip fault. Earthquakes occur when fault strength is exceeded and are incorporated as a stress drop which is dependent on fault-normal stress. The model is driven by a velocity boundary condition over many earthquake cycles. Resulting synthetic strike-slip earthquake recurrence data display temporal variations similar to observed paleoseismic data within time windows surrounding auxiliary fault failures. Our simple model supports the idea that interaction between a strike-slip fault and auxiliary reverse or normal faults can modulate the recurrence interval of events on the strike-slip fault, possibly producing short term variations in earthquake recurrence interval.

Palmer, Randy↗
DOE OSTI2013

Advancements in 3D Structural Analysis of Geothermal Systems

Robust geothermal activity in the Great Basin, USA is a product of both anomalously high regional heat flow and active fault-controlled extension. Elevated permeability associated with some fault systems provides pathways for circulation of geothermal fluids. Constraining the local-scale 3D geometry of these structures and their roles as fluid flow conduits is crucial in order to mitigate both the costs and risks of geothermal exploration and to identify blind (no surface expression) geothermal resources. Ongoing studies have indicated that much of the robust geothermal activity in the Great Basin is associated with high density faulting at structurally complex fault intersection/interaction areas, such as accommodation/transfer zones between discrete fault systems, step-overs or relay ramps in fault systems, intersection zones between faults with different strikes or different senses of slip, and horse-tailing fault terminations. These conceptualized models are crucial for locating and characterizing geothermal systems in a regional context. At the local scale, however, pinpointing drilling targets and characterizing resource potential within known or probable geothermal areas requires precise 3D characterization of the system. Employing a variety of surface and subsurface data sets, we have conducted detailed 3D geologic analyses of two Great Basin geothermal systems. Using EarthVision (Dynamic Graphics Inc., Alameda, CA) we constructed 3D geologic models of both the actively producing Brady’s geothermal system and a ‘greenfield’ geothermal prospect at Astor Pass, NV. These 3D models allow spatial comparison of disparate data sets in 3D and are the basis for quantitative structural analyses that can aid geothermal resource assessment and be used to pinpoint discrete drilling targets. The relatively abundant data set at Brady’s, ~80 km NE of Reno, NV, includes 24 wells with lithologies interpreted from careful analysis of cuttings and core, a 1:24,000 scale detailed geologic map and cross-sections, 2D seismic reflection profiles and other geophysical data, and downhole temperature data. The 3D geologic model based on these data consists of 61 fault planes, 25 distinct stratigraphic units, and 2 intrusive bodies. Geothermal fluids are produced from a left step-over/relay ramp within the Brady’s Fault Zone (BFZ). Under local stress conditions, fault segments that strike NNE-to-NE are most likely to slip and/or dilate, and therefore transmit geothermal fluids. The 3D model defines the locations of discrete fault intersections within the BFZ and indicates that the densest zones of structurally controlled fracture permeability are ~10-to-10s of meters in diameter and plunge ~55° NW-NNW beneath the heart of the BFZ step over. The locations of high intersection density, high fault slip and dilation tendency, high subsurface temperature, and lithologies known to support high fracture permeability are combined to produce 3D ‘fairway’ maps useful in both assessments of geothermal resource potential and for defining drilling targets. Astor Pass is located on the Pyramid Lake Paiute Reservation, ~80 km north of Reno, NV. It is a prospective ‘greenfield’ geothermal area, and thus subsurface data are relatively sparse. Available data include: two relatively deep wells (~1400 m) and one shallower well (~500 m) with lithologies interpreted from drill cuttings, several 2D seismic reflection profiles, a 1:24,000 scale geologic map and cross-section, a shallow temperature survey, and downhole temperature data. 3D modeling based on these data has defined 19 distinct fault planes and 16 stratigraphic units. Based on the stress field calculated from borehole breakouts, drilling induced tensile cracks and petal-centerline cracks in the two relatively deep wells, 3D slip and dilation tendency analysis indicates that northerly striking fault segments are most likely to slip and/or dilate, and therefore transmit geothermal fluids. Analysis of fault intersection density indicates that the highest density of structurally controlled permeability within the field lies in a narrow (10-to-10s of m) zone plunging moderately (~35°) to the NNW beneath Pleistocene tufa deposits. This zone of increased fracture density, which we interpret as the primary upflow zone, is controlled by the intersection of N-to-NNW striking normal faults and a WNW striking dextral fault zone and represents the most promising target for future drilling. Construction of a 3D geologic model involves integration of a variety of data into an internally consistent framework. A robust model allows for spatial comparison between the various types of data (structural, stratigraphic, geophysical, temperature, etc.) that are commonly used independently to site geothermal wells. Furthermore, highly detailed 3D geologic models provide the basis for additional quantitative analysis, including 3D fault slip and dilation tendency analysis and the precise location of structurally controlled permeability pathways. These analyses provide detailed information relating to the internal dynamics of geothermal systems and can mitigate the costs and risks of geothermal exploration and development by contributing to better well targeting and more accurate evaluations of resource potential.

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Plastic homogeneity in nanoscale heterostructured binary and multicomponent metallic eutectics: An overview

Heterostructured materials comprised of relatively soft/hard disparate phases typically exhibit composite strengthening but lack plastic deformability at ambient temperatures. However, heterostructured systems comprised of nanoscale phases can simultaneously enhance yield strength and strain hardening, thereby promoting uniform distribution of plastic flow. In this review, the atomic-scale deformation mechanisms in model systems of eutectic alloys, Al-Al 2 Cu and Al-Si, refined to nanoscales via laser rapid solidification are discussed, and compared with literature on multi-component (high entropy) eutectics such as Ni-Al-Fe-based with Cr and/or Co additions. The nano-lamellar Al-Al 2 Cu structures exhibit unit defect mechanisms not reported in monolithic Al 2 Cu intermetallic: localized shear on {0 1 1} and shear-induced faults on {1 2 1} planes, constrained by closely-spaced dislocation arrays in Al confined by Al/Al 2 Cu interfaces. The unexpected plasticity mechanisms are enabled by slip continuity in nanoscale Al-Al 2 Cu eutectics associated with the orientation relationship and interface habit planes. In nano-fibrous Al-Si eutectic, tensile ductility at strength approaching 600 MPa is observed resulting from dislocation plasticity in the nano-Al channels and cracking in Si nanofibers. Molecular dynamics simulations show that Al dislocations easily cross-slip (screw) or climb (edge) along Al-Si interfaces, making slip transmission difficult. The propagation of nano-cracks is suppressed by surrounding strain hardening Al, retaining good ductility of the sample, in spite of lack of direct slip transmission. Finally, the critical unit mechanisms of slip transmission and interface-enabled plasticity observed in nanoscale eutectic binary systems can also explain the strength-ductility relationship in multi-component eutectics and homogeneously distributed plastic flow with increasing microstructural heterogeneity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Quantifying the resistance to dislocation glide in single phase FeCrAl alloy

The resistance to dislocation glide associated with slip systems {110}<111> and {112}<111> in single phase FeCrAl alloy is measured via micromechanical testing in a scanning electronic microscopy at room temperature. Two important factors, the shape and orientation of a pillar, are discussed with respect to the glide resistance and stress-strain response. Maximizing Schmid factor of one specific slip system while minimizing others is recommended in order to diminish obvious dislocations-induced hardening during in-situ testing. Apparent Schmid factor analysis is conducted to select grains with preferred orientations. Two types of pillars with conventional cylindrical shape or dog-bone shape are tested under compression to estimate the resistance to dislocation glide and evaluate the effect of pillar shape on the compression stress-strain response. One dog-bone pillar is tested under tension to check the tension-compression isotropy of dislocation slip. We discover that the shape of a pillar to a smaller extent affects the measured resistance but strongly influences the stress strain response. Cylindrical pillars exhibit apparent hardening associated with early yielding due to stress or strain concentration at contact region, while dog-bone pillars show an obvious yielding and continuous shearing without hardening. The resistance is 220 MPa for slip system {110}<111> and 230 MPa for slip system {112}<111>. Finite element analysis is performed to account for the influence of pillar shape and contact condition on mechanical response.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Molecular dynamics simulation of methane transport in confined organic nanopores with high relative roughness

Understanding and characterizing the transport of shale gas (methane) through the nanopores of kerogens are critical for the accurate prediction of shale gas recovery. However, the key factors that regulate shale gas transport through highly roughened nanopores of shale kerogens are not fully understood. Here in this work, methane transport in organic nanopores with a high relative roughness is characterized using equilibrium and non-equilibrium molecular dynamics methods. According to our results, the CH 4 mass flux has a linear relationship with the pressure gradient, consistent with previous studies, while the calculated slip lengths and gas fluxes varied with different roughness geometries in the order of sigmoidal ≥ triangular > rectangular. Surface slip flow can be a major contributor to the overall gas flux, but surprisingly, the relative contribution of surface slip flow is independent of the pressure gradient. In contrast, the contributions of both slip flow and the average gas fluxes vary strongly with pore diameters. Typical contributions of the adsorbed layer to the overall gas flux are in the range 20–40% but vary from as high as 74% in a 4-nm pore to as low as 6% in a 16-nm pore. Compared to smooth nanopores, we find that, in nanopores with realistically high degrees of relative roughness, methane confinement in cavities decouples slip flow from the flow in the pore interior, significantly reducing the overall flux.

03 NATURAL GAS↗
DOE OSTI2020

Pore-scale simulation of gas flow in microscopic permeable media with complex geometries

Lattice Boltzmann method (LBM) is an efficient tool to perform direct numerical simulation of gas flow in micro-size pores. Despite great advances in LBM and its use in describing gas flow in micro-size channels in slip and transitional flow regimes, exploring formulations that are able to capture flow behavior in domains with complex boundary geometries remains a challenging task. As a result, the impact of complexities in pore structures on gas flow may not be fully explored using LBM. In this study, we propose to use the combined bounce-back and Maxwellian diffusive reflection scheme to capture the slip velocity with a new set of slip coefficients. Optimal values of slip coefficients are determined using a gradient based method, where the results from the linearized Boltzmann equation is used as the reference solution. The proposed formulation is further validated against predictions from molecular dynamics simulation in the presence of complex geometries by introducing obstacles of different shapes in straight channels. LBM with the proposed boundary treatment is then used to investigate gas flow in a synthetic microscopic permeable medium. Here, results indicate that gas exhibits different flow configurations as Knudsen number varies, and apparent gas permeability appears to have up to a second-order dependency on the reciprocal mean pressure in slip and transitional flow regimes.

03 NATURAL GAS↗
DOE OSTI2012

Plastic deformation of submicron-sized crystals studied by in-situ Kikuchi diffraction and dislocation imaging

The plastic deformation of submicron-size copper single crystals in the form of pillars has been characterized during in-situ compression in the transmission electron microscope up to strains of 28-33% using a state-of-the-art holder (PI-95 PicoIndenter). The dimensions of the crystals used were approx. 500 Multiplication-Sign 250 Multiplication-Sign 200 nm{sup 3} with the compression axis oriented 1.6 Degree-Sign from [110]. Local crystallographic orientations have been determined with high accuracy using a Kikuchi diffraction method and glide of dislocations over a pillar has also been observed directly by dark field imaging. The variation in the local orientation during deformation has been followed by in-situ convergent beam electron Kikuchi diffraction. The in-situ observations have been followed up by post-deformation measurements with the samples still mounted in the electron microscope. Crystal breakup following localized deformation was observed in two of three crystals examined, and for all crystals the direction of rotation during deformation is in agreement with slip taking place on a subset of the four slip systems, with the highest Schmid factors on the (111) and (- 1-11) slip planes. A diffraction-based Burgers vector analysis confirms that the active dislocations are from slip systems with the highest Schmid factors. These results from testing of micropillars are in good agreement with the deformation behaviour previously reported for both single- and poly-crystal samples with dimensions in the millimetre range. - Highlights: Black-Right-Pointing-Pointer We performed in-situ plastic deformation of submicron-sized copper single crystals. Black-Right-Pointing-Pointer We measured in-situ and ex-situ crystal rotation and imaged dislocation activities. Black-Right-Pointing-Pointer We measured crystallographic orientations and analyzed dislocation Burgers vectors. Black-Right-Pointing-Pointer Crystals' rotation in agreement with slip of dislocations with highest Schmid factor. Black-Right-Pointing-Pointer These results in good agreement with millimeter-scale samples' deformation behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Analytical model for drag reduction on liquid-infused structured non-wetting surfaces

Liquid-infused structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow, resulting in reduced friction at the interface. In this paper, an analytical model is developed for the evaluation of effective slip and, in turn, friction factor and drag reduction on liquid-infused structured non-wetting surfaces. By considering the entire range of anisotropy and heterogeneity of the surface structures as well as the full range of partial slip offered by the infusion liquid, the present model eliminates empirical fitting or correlations that are inherent in previous studies. Based on the effective slip length, drag reduction and skin friction coefficient values for Newtonian flow between two infinite parallel plates and flow in round tubes are presented. Extension of Moody charts for non-wetting surfaces and design maps of surface meso/micro/nano texturing for achieving desired drag reduction are presented for a broad range of engineering applications. The paper further presents independent validation of the model across experimental and computational data from the literature and brings together several previous studies in a unified manner.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High‐Temperature Mechanical Behavior of Single‐Crystal FeCrAl Alloy Under In Situ Micropillar Compression

FeCrAl cladding is one of the candidate materials for the near‐term accident‐tolerant fuel technologies under development. Research on high‐temperature mechanical behaviors of single‐crystal FeCrAl alloy is rather limited. Previous studies have reported the mechanical property of low‐index orientation in single‐crystal FeCrAl alloy at room temperature. However, the critical resolved shear stress to activate slip systems can be orientation and temperature dependent. Here, single‐crystal grains in a coarse‐grained FeCrAl alloy with different crystallographic orientations are selected to preferentially activate {110}<111> slip systems or {112}<111> slip systems. Micropillars are fabricated in the selected single‐crystal grains and tested at elevated temperatures in situ in a scanning electron microscope. The critical resolved shear stresses of {110}<111> slip systems and {112}<111> slip systems are determined at various temperatures. The critical resolved shear stress shows a temperature dependence and orientation independence. This study provides important insight for understanding the deformation mechanisms of FeCrAl alloys at elevated temperatures.

Sun, Tianyi↗
DOE OSTI2021

A stochastic solver based on the residence time algorithm for crystal plasticity models

Abstract The deformation of crystalline materials by dislocation motion takes place in discrete amounts determined by the Burgers vector. Dislocations may move individually or in bundles, potentially giving rise to intermittent slip. This confers plastic deformation with a certain degree of variability that can be interpreted as being caused by stochastic fluctuations in dislocation behavior. However, crystal plasticity (CP) models are almost always formulated in a continuum sense, assuming that fluctuations average out over large material volumes and/or cancel out due to multi-slip contributions. Nevertheless, plastic fluctuations are known to be important in confined volumes at or below the micron scale, at high temperatures, and under low strain rate/stress deformation conditions. Here, we develop a stochastic solver for CP models based on the residence-time algorithm that naturally captures plastic fluctuations by sampling among the set of active slip systems in the crystal. The method solves the evolution equations of explicit CP formulations, which are recast as stochastic ordinary differential equations and integrated discretely in time. The stochastic CP model is numerically stable by design and naturally breaks the symmetry of plastic slip by sampling among the active plastic shear rates with the correct probability. This can lead to phenomena such as intermittent slip or plastic localization without adding external symmetry-breaking operations to the model. The method is applied to body-centered cubic tungsten single crystals under a variety of temperatures, loading orientations, and imposed strain rates.

42 ENGINEERING↗
DOE OSTI2018

High- and Low-Temperature Deformation Behavior of Different Orientation Hot-Rolled Annealed Zircaloy-4

In this paper, the hot-rolled annealed Zircaloy-4 samples with different orientation were subjected to uniaxial compression with a strain rate of 0.001 s{sup −1} to obtain the stress-strain curves of different initial orientation samples at different temperatures. Electron backscatter diffraction (EBSD) technique and transmission electron microscope (TEM) technique were used to analyze the microstructures and textures of compressed samples. The mechanical properties and microstructural evolution of rolling directions (RD), transverse directions (TD) and normal directions (ND) were investigated under the conditions of – 150 °C low temperature, room temperature and 200 °C high temperature (simulated lunar temperature environment). The results show that the strength of Zircaloy-4 decreases with the increase in deformation temperature, and the strength in three orientations is ND > TD > RD. The deformation mechanism of hot-rolled annealed Zircaloy-4 with different orientation is different. In RD, {101̄0}〈a〉 prismatic slip has the highest Schmid factor (SF), so it is most easy to activate the slip, followed by TD orientation, and ND orientation is the most difficult to activate. The deformed grains abide slip→twinning→slip rule, and the different orientation Zircaloy-4 deformation mechanisms mainly are the twinning coordinated with the slip.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Deformation Mechanisms and Formability Window for As-Cast Mg-6Al-2Ca-1Sn-0.3Sr Alloy (MRI 230D)

The hot deformation characteristics of MRI 230D alloy have been evaluated in the temperature range 260-500 °C and strain rate range 0.0003-10 s{sup −1}, on the basis of processing map. The processing map exhibited two domains in the ranges: (1) 300-370 °C and 0.0003-0.001 s{sup −1} and (2) 370-480 °C and 0.0003-0.1 s{sup −1}. Dynamic recrystallization occurs in the both domains with basal slip dominating in the first domain along with climb as recovery process and second-order pyramidal slip dominating in the second with the recovery by cross-slip. In Domains (1) and (2), the apparent activation energy values estimated using the kinetic rate equation are 143 and 206 kJ/mole, respectively, the first one being close to that for lattice self-diffusion confirming climb. It is recommended that the alloy is best processed at 450 °C and strain rates less than 0.1 s{sup −1}, where non-basal slip and cross-slip occur extensively to impart excellent workability. The alloy exhibits flow instability in the form of adiabatic shear band formation and flow localization at lower temperatures and higher strain rates. Forging of a cup-shaped component was performed under various conditions, and the results validated the predictions of the processing map on the workability domains as well as the instability regimes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Modeling the role of local crystallographic correlations in microstructures of Ti-6Al-4V using a correlated structure visco-plastic self-consistent polycrystal plasticity formulation

This paper presents a multi-level crystal plasticity-based simulation framework for modeling mechanical response and microstructure evolution of Ti-6Al-4V with α-lath/lamellar microstructures. Here, the model is a correlated structure visco-plastic self-consistent (CS-VPSC) formulation linking three scales: a single crystals micro-scale, a lath/lamellar colony meso-scale, and a lath/lamellar aggregate macro-scale. A selected hardening law for the evolution of critical resolved shear stress per slip system used in CS-VPSC is phenomenological. However, it adjusts the resistances of basal and prismatic slip systems based on the geometry of slip transfer between adjacent lamellae. Consistent with experimental evidences, the resolved shear stress on the pyramidal slip planes is dependent not only on the stress in the direction of slip but also on the two orthogonal shear stress components and the three normal stress components (non-Schmid effects). Electron backscatter diffraction (EBSD) data in conjunction with a procedure relying on α→β phase transformation is used to construct paired variants of α-laths/lamellae satisfying their local crystallographic correlations. The procedure fits volume fractions of individual laths/lamellae with the experimental EBSD data and selects a distribution of habit planes between adjacent variants with respect to the loading direction. The simulation framework is applied to interpret the deformation behavior in tension and compression along two sample directions of Ti-6Al-4V fabricated via laser powder bed fusion. Moreover, the model is used to simulate texture evolution during rolling of the material to large strains. It is demonstrated that the model is capable of predicting plastic anisotropy/asymmetry and the concomitant texture evolution. While the model reveals a significant effect of habit plane inclination with respect to the loading direction on yield stress, the comparison of the data and model predictions shows that a random distribution of habit planes fits the flow response. It is further inferred that the tension-compression asymmetry arises from the non-Schmid effects.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Heterogeneous fatigue damage in a nickel-based single-crystal superalloy unraveled using correlative 3D X-ray technology

Nickel-based single-crystal (Ni-SX) superalloys under cyclic stress are susceptible to cracking at stress-concentration sites, eventually leading to low-cycle fatigue (LCF) failure. LCF cracks typically originate from intrinsic defects (e.g., voids and carbides) within solidified dendrites. However, systematic quantitative experimental analyses of defect-mediated local damage remain limited. To thoroughly understand the microscopic origins and evolution of LCF damage, correlated 3D mapping of dendrites across various regions is essential. Here, in this study, macroscale micro-computed tomography (μ-CT) was initially used to capture internal interdendritic secondary cracks within bulk DD413 superalloy after LCF testing at 760 °C. Subsequently, a multimodal methodology combining synchrotron 3D microdiffraction (3D-μXRD), high-resolution μ-CT, and electron microscopy was established. This approach allowed precise localization of internal damage zones near interdendritic secondary cracks and detailed mapping of the 3D correlated distributions of dendrites, defects, and residual stress/strain fields within these zones at submicron spatial resolution. Finally, the same approach was applied to specimens subjected to interrupted loading at approximately 40 % of the fatigue life to uncover the early damage states of dendrites. The dendrite cores (DCs) and interdendritic regions (IDs) exhibit microscale heterogeneous mechanical responses: nearly defect-free DCs accumulate local irreversible slip along specific slip systems to generate slip bands, while the IDs containing various defects accommodate local microplasticity through the activation of multiple slip systems around these defects. The local tensile stress near defects in the IDs exceeds that in the DC slip band regions by more than threefold, leading to the generation of local damage zones within the IDs. Chain-like defect distributions facilitate the interconnection of these local zones into a continuous damage region, further elevating the overall tensile stress in the IDs. Additionally, geometrically necessary dislocations alone are insufficient as indicators of LCF damage; both the internal stress state and its magnitude must be considered. These experimental results provide critical data and insights for the development of multi-physics fatigue models.

Localized deformation↗
DOE OSTI2019

Mesoscale crystal plasticity modeling of nanoscale Al–Al 2 Cu eutectic alloy

Nanolaminated composites composed of alternate metal and intermetallic or ceramic lamellae exhibit high strength, high strain hardening rate and measurable plasticity at ambient and elevated temperatures. Due to the difference in plastic deformation capability between the two phases, structural instability occurs in hard lamellae associated with buckling when a compression strain is applied parallel to the lamellae. Taking nanoscale Al–Al 2 Cu eutectic alloy as a model system, we develop a mesoscale crystal plasticity (CP) model based on the confined layer slip (CLS) mechanism (referred to as CLS-CP) to understand the buckling behavior of the nanolaminates. In the CLS-CP model, buckling in Al 2 Cu lamellae is constrained by the elastic-plastic deformation of Al lamellae. The critical resolved shear stress for dislocation slip in Al lamellae varies with layer thickness, estimated by the CLS mechanism. To capture the essential features of confined layer slip mechanism that dislocations propagate within the layer and are deposited at the interfaces, plastic deformation in each lamella is the same through the layer thickness. The variation of elastic deformation through the layer thickness is captured through dividing each Al lamella into three or more elements that have the same plastic deformation through the thickness. In comparison, we also conduct standard crystal plasticity modeling in which plastic deformation in the three elements through the layer thickness is calculated individually according to phenomenological power law. In these simulations, plasticity in Al 2 Cu lamellae is modeled with slips on {121} planes due to the slip continuity across the interface, which have been observed in our recent experiments. The CLS-CP model is able to predict mechanical properties of nano-scale lamellar materials. In contrast, the standard CP model is more suitable to study deformation behavior of sub-micro scale lamellar materials. In conclusion, the CLS-CP model calculations reveal that critical compression strain corresponding to buckling increases as layer thickness decreases, which agree with micro-pillar compression tests.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Smoothed Particle Hydrodynamics Continuous Boundary Force method for Navier-Stokes equations subject to Robin boundary condition

Robin boundary condition for the Navier-Stokes equations is used to model slip conditions at the fluid-solid boundaries. A novel Continuous Boundary Force (CBF) method is proposed for solving the Navier-Stokes equations subject to Robin boundary condition. In the CBF method, the Robin boundary condition at boundary is replaced by the homogeneous Neumann boundary condition at the boundary and a volumetric force term added to the momentum conservation equation. Smoothed Particle Hydrodynamics (SPH) method is used to solve the resulting Navier-Stokes equations. We present solutions for two-dimensional and three-dimensional flows in domains bounded by flat and curved boundaries subject to various forms of the Robin boundary condition. The numerical accuracy and convergence are examined through comparison of the SPH-CBF results with the solutions of finite difference or finite element method. Taken the no-slip boundary condition as a special case of slip boundary condition, we demonstrate that the SPH-CBF method describes accurately both no-slip and slip conditions.

Pan, Wenxiao↗
DOE OSTI2020

Dislocation density-based plasticity model from massive discrete dislocation dynamics database

In this work, we present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial tension. The proposed constitutive model has two components: a generalized Taylor relation connecting resolved shear stresses to dislocation densities on individual slip systems, and a generalized Kocks-Mecking model for dislocation multiplication. The DDD data strongly suggests a logarithmic dependence of flow stress on the plastic shear strain rate on each slip system, and, equivalently, an exponential dependence of the plastic shear strain rate on the resolved shear stress. Hence the proposed generalized Taylor relation subsumes the Orowan relation for plastic flow. The DDD data also calls for a correction to the Kocks-Mecking model of dislocation multiplication to account for the increase of dislocation density on slip systems with negligible plastic shear strain rate. This is accomplished by allowing the multiplication rate on each slip system to include contributions from the plastic strain rates of the two coplanar slip systems. The resulting constitutive model successfully captures the strain hardening rate dependence on the loading orientation as predicted by the DDD simulations, which is also consistent with existing experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Elements distribution and deformation features of a 4.5% Re nickel-based single crystal superalloy during creep at high temperature

Highlights: • Atom probe is used to investigate the element concentration changes in γ and γ' phase during creep. • Mo, W and Re diffuse from γ' to γ phase and enrich in γ/γ' interface during high temperature creep. • Super-dislocations in γ' phase may cross-slip from {111} to {100} plane due to the elements diffusions. • Dislocations shearing into γ' phase may decompose into K-W locks plus APB due to the refractory elements enrichment. - Abstract: By means of creep property measurement, microstructure observation and atom probe tomography, the elements distribution and deformation features of a 4.5% Re nickel-based single crystal superalloy during creep are investigated. Results show that after fully heat treated, the elements Al and Ta are mainly distributed in γ′ phase of alloy. After the alloy is crept up to fracture at 1100 °C/137 MPa, the change of the elements distributing in γ and γ′ phases occurs, wherein, the concentration decrement of the elements Al and Cr in γ′ and γ phases is attributed to their oxidation which may consume the ones. Moreover, some of the atoms Re, W and Mo dissolving in γ′ phase are repelled into γ matrix to reduce its internal energy. And the peak concentration of the atoms Re and W appears in the γ phase near the transition region, the atoms Re, W in the peak region cause the lattice distortion to increase the resistance of dislocations motion, which may improve the creep resistance of alloy. In the later stage of creep, dislocations shearing into the rafted γ′ phase may cross-slip from {111} to {100} plane to form the configuration of K-W locks, which may restrain the slipping of dislocations to improve the creep resistance of alloy. Wherein, the atom Re with lower diffusion coefficient may delay the dislocations in K-W locks for slipping and cross-slipping, which is thought to be the main reason of the K-W locks keeping in 4.5%Re alloy during creep at 1100 °C.

36 MATERIALS SCIENCE↗