Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations

Cereceda, David; Diehl, Martin; Roters, Franz; Raabe, Dierk; Perlado, J.M.; Marian, Jaime

doi:10.1016/j.ijplas.2015.09.002

Cited by 158 publications

(103 citation statements)

References 129 publications

(168 reference statements)

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“…Mechanical twinning, which is of great importance to the plasticity of many BCC metals as well as FCC metals with low SFE, has also been incorporated into FE-CP models (Kalidindi, 1998;Staroselsky and Anand, 1998;Salem et al, 2005;Steinmetz et al, 2013;Zhang et al, 2008). Atomistically-informed dislocation-based models have also been developed recently and applied to single crystal (Cereceda et al, 2015). In addition, microstructure modeling techniques such as cellular automata and phase-field have also been applied to the study of mechanics-induced microstructural evolution such as static recrystallization (Hesselbarth and Göbel, 1991;Raabe, 2002;Takaki et al, 2007;Moelans et al, 2013;Chen et al, 2015).…”

Section: Introductionmentioning

confidence: 99%

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

Zhao

Low

Wang

et al. 2016

International Journal of Plasticity

103

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Many time-dependent deformation processes at elevated temperatures produce significant concurrent microstructure changes that can alter the mechanical properties in a profound manner. Such microstructure evolution is usually absent in mesoscale deformation models and simulations. Here we present an integrated full-field modeling scheme that couples the mechanical response with the underlying microstructure evolution. As a first demonstration, we integrate a fast Fourier transform-based elasto-viscoplastic (FFT-EVP) model with a phase-field (PF) recrystallization model, and carry out three-dimensional simulations of dynamic recrystallization (DRX) in polycrystalline copper. A physics-based coupling between FFT-EVP and PF is achieved by (1) adopting a dislocation-based constitutive model in FFT-EVP, which allows the predicted dislocation density distribution to be converted to a stored energy distribution and passed to PF, and (2) implementing a stochastic nucleation model for DRX. Calibrated with the experimental DRX stress-strain curves, the integrated model is able to deliver full-field mechanical and microstructural information, from which quantitative description and analysis of DRX can be achieved. It is suggested that the initiation of DRX occurs significantly earlier than previous predictions, due to heterogeneous deformation. DRX grains are revealed to form at both grain boundaries and junctions (e.g., quadruple junctions) and tend to grow in a wedge-like fashion to maintain a triple line (not necessarily in equilibrium) with old grains. The resulting stress redistribution due to strain compatibility is found to have a profound influence on the subsequent dislocation evolution and softening.

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Section: Introductionmentioning

confidence: 99%

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

Zhao

Low

Wang

et al. 2016

International Journal of Plasticity

103

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“…Based on statistical descriptions of microstructures, RVEs are created on the basis of which the material's performance is evaluated. The use of DREAM.3D enables microstructure RVE generation at high fidelity, incorporating statistical features which can be evaluated using the spectral solver and physicalbased crystal plasticity laws for specific materials 8,41,42 available in DAMASK. Such a strictly microstructure-oriented ICME approach enables the drastic reduction in the number of experiments typically required in alloy, microstructure, and process development.…”

Section: Discussionmentioning

confidence: 99%

Identifying Structure–Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

Diehl

Groeber

Haase

et al. 2017

JOM

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Predicting, understanding, and controlling the mechanical behavior is the most important task when designing structural materials. Modern alloy systems-in which multiple deformation mechanisms, phases, and defects are introduced to overcome the inverse strength-ductility relationship-give raise to multiple possibilities for modifying the deformation behavior, rendering traditional, exclusively experimentally-based alloy development workflows inappropriate. For fast and efficient alloy design, it is therefore desirable to predict the mechanical performance of candidate alloys by simulation studies to replace time-and resource-consuming mechanical tests. Simulation tools suitable for this task need to correctly predict the mechanical behavior in dependence of alloy composition, microstructure, texture, phase fractions, and processing history. Here, an integrated computational materials engineering approach based on the open source software packages DREAM.3D and DA-MASK (Dü sseldorf Advanced Materials Simulation Kit) that enables such virtual material development is presented. More specific, our approach consists of the following three steps: (1) acquire statistical quantities that describe a microstructure, (2) build a representative volume element based on these quantities employing DREAM.3D, and (3) evaluate the representative volume using a predictive crystal plasticity material model provided by DAMASK. Exemplarily, these steps are here conducted for a high-manganese steel.

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“…Crystal Plasticity Constitutive Model The parameters used for the crystal plasticity constitutive model are based on an existing dataset that reproduces the behavior of a soft aluminum alloy. 22 Since obtaining suitable parameters for the employed phenomenological model 33,34 or the development of a physicsbased model [35][36][37] are challenging tasks by themselves, the existing parameters (except for the elastic constants 38 ) are manually adjusted to increase yield point and hardening. The parameters used are given in Table I and the resulting stress-strain curve (including damage) canbe seen in Fig.…”

Section: Model Parametersmentioning

confidence: 99%

Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation

Diehl

Wicke

Shanthraj

et al. 2017

JOM

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Various mechanisms such as anisotropic plastic flow, damage nucleation, and crack propagation govern the overall mechanical response of structural materials. Understanding how these mechanisms interact, i.e. if they amplify mutually or compete with each other, is an essential prerequisite for the design of improved alloys. This study shows-by using the free and open source software DAMASK (the Dü sseldorf Advanced Material Simulation Kit)-how the coupling of crystal plasticity and phase field fracture methods can increase the understanding of the complex interplay between crystallographic orientation and the geometry of a void. To this end, crack initiation and propagation around an experimentally obtained pore with complex shape is investigated and compared to the situation of a simplified spherical void. Three different crystallographic orientations of the aluminum matrix hosting the defects are considered. It is shown that crack initiation and propagation depend in a non-trivial way on crystallographic orientation and its associated plastic behavior as well as on the shape of the pore.

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Unraveling the temperature dependence of the yield strength in single-crystal tungsten using atomistically-informed crystal plasticity calculations

Cited by 158 publications

References 129 publications

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

An integrated full-field model of concurrent plastic deformation and microstructure evolution: Application to 3D simulation of dynamic recrystallization in polycrystalline copper

Identifying Structure–Property Relationships Through DREAM.3D Representative Volume Elements and DAMASK Crystal Plasticity Simulations: An Integrated Computational Materials Engineering Approach

Coupled Crystal Plasticity–Phase Field Fracture Simulation Study on Damage Evolution Around a Void: Pore Shape Versus Crystallographic Orientation

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