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This work presents an open source, dislocation density based crystal plasticity modeling framework, $\rho$-CP. A Kocks-type thermally activated flow is used for accounting for the temperature and strain rate effects on the crystallographic…

Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…

Materials Science · Physics 2009-11-10 David L. Olmsted , Louis G. Hector , W. A. Curtin , R. J. Clifton

A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…

Materials Science · Physics 2018-03-07 Audun Skaugen , Luiza Angheluta , Jorge Viñals

A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…

Materials Science · Physics 2023-12-22 Anwen Liu , Tongqi Wen , Jian Han , David J. Srolovitz

A recently proposed generalised continuum theory of curved dislocations describes the spatial and temporal evolution of statistically stored and geometrically necessary dislocation densities as well as the curvature. The dynamics follow…

Materials Science · Physics 2026-01-13 István Groma , Dénes Berta , Lóránt Sándli , Péter Dusán Ispánovity

Dislocation slip is a general deformation mode and governs the strength of metals. Via discrete dislocation dynamics and molecular dynamics simulations, we investigate the strain rate and dislocation density dependence of the strength of…

Materials Science · Physics 2021-04-14 Haidong Fan , Jaafar A. El-Awady , Qingyuan Wang , Dierk Raabe , Michael Zaiser

Most of crystalline materials develop an hysteresis on their deformation curve when a mechanical loading is applied in alternating directions. This effect, also known as the Bauschinger effect, is intimately related to the reversibile part…

Materials Science · Physics 2022-01-03 Sylvain Queyreau , Benoit Devincre

In this paper, we present a dislocation-density-based three-dimensional continuum model, where the dislocation substructures are represented by pairs of dislocation density potential functions (DDPFs), denoted by $\phi$ and $\psi$. The slip…

Materials Science · Physics 2015-09-23 Yichao Zhu , Yang Xiang

We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…

Materials Science · Physics 2020-06-24 Rajat Arora , Xiaohan Zhang , Amit Acharya

Electroplasticity is defined as the reduction in flow stress of a material undergoing deformation on passing an electrical pulse through it. The lowering of flow stress during electrical pulsing has been attributed to a combination of three…

Materials Science · Physics 2020-01-08 Arka Lahiri , Pratheek Shanthraj , Franz Roters

A phenomenological model of the evolution of an ensemble of interacting dislocations in an isotropic elastic medium is formulated. The line-defect microstructure is described in terms of a spatially coarse-grained order parameter, the…

mtrl-th · Physics 2009-10-30 J. M. Rickman , Jorge Vinals

A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…

Materials Science · Physics 2017-02-01 Song-Lin Yao , Xiao-Yang Pei , Ji-Dong Yu , Jing-Song Bai , Qiang Wu

We report two-dimensional discrete dislocation dynamics simulations of combined dislocation glide and climb leading to `power-law' creep in a model aluminum crystal. The approach fully accounts for matter transport due to vacancy diffusion…

Mesoscale and Nanoscale Physics · Physics 2017-12-27 Shyam M. Keralavarma , Tahir Cagin , Tom Arsenlis , A. Amine Benzerga

Dislocation-density-based crystal plasticity (CP) models are introduced to account for the microstructural changes throughout the deformation process, enabling more quantitative predictions of the deformation process compared to slip-system…

Materials Science · Physics 2025-07-24 Jalal Smiri , Oguz Umut Salman , Ioan R. Ionescu

Along with high strength, plasticity is what makes metals so widely usable in our material world. Both strength and plasticity properties of a metal are defined by the motion of dislocations - line defects in the crystal lattice that divide…

Materials Science · Physics 2017-10-17 Luis A. Zepeda-Ruiz , Alexander Stukowski , Tomas Oppelstrup , Vasily V. Bulatov

We show that the thermodynamic dislocation theory (TDT) predicts a scaling relation between stresses, strain rates, and temperatures for steady-state deformations of crystalline solids, and that this relation is accurately obeyed by a wide…

Materials Science · Physics 2020-12-30 J. S. Langer , K. C. Le

Plastic deformation in solids induced by external shear stress is of huge practical interest. Presence of local crystalline order in polycrystals, consisting of many grains, distinguishes its deformation pattern from that of amorphous…

Soft Condensed Matter · Physics 2013-03-07 Santidan Biswas , Martin Grant , Indradev Samajdar , Arunansu Haldar , Anirban Sain

Microcrystals deform very differently from their macroscopic counterparts, displaying a size-dependent yield stress and intermittent plastic strain bursts. Here we demonstrate that size effects and strain bursts may be just two different…

Materials Science · Physics 2012-04-04 Valentina Beato , Michael Zaiser , Stefano Zapperi

Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of…

Materials Science · Physics 2024-08-28 Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri

Most of crystalline materials exhibit a hysteresis on their deformation curve when mechanically loaded in alternating directions. This Bauschinger effect is the signature of mechanisms existing at the atomic scale and controlling the…

Materials Science · Physics 2021-01-01 Sylvain Queyreau , Benoit Devincre
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