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Specimen- and grain-size effects on nanoscale plastic deformation mechanisms and mechanical properties of polycrystalline yttria-stabilized tetragonal zirconia (YSTZ) nanopillars are studied by molecular dynamics simulations. Through…

Materials Science · Physics 2019-05-02 Ning Zhang , Mohsen Asle Zaeem

A novel, concurrent multiscale approach to meso/macroscale plasticity is demonstrated. It utilizes a carefully designed coupling of a partial differential equation (pde) based theory of dislocation mediated crystal plasticity with…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Sabyasachi Chatterjee , Giacomo Po , Xiaohan Zhang , Amit Acharya , Nasr Ghoniem

In Part I of this work, we proposed a stochastic model describing solute interactions with stationary and moving grain boundaries (GBs) and applied it to planar GBs in 1D systems. The model reproduces nonlinear GB dynamics, solute…

Materials Science · Physics 2023-11-10 Y. Mishin

Viscoplastic flow of polycrystalline metallic materials is the result of motion and interaction of dislocations, line defects of the crystalline structure. In the microstructural (physics-based) constitutive model presented in this paper,…

Materials Science · Physics 2018-09-11 S. Amir H. Motaman , Ulrich Prahl

In metals geometrically necessary dislocations (GNDs) are generated primarily to accommodate strain gradients and they play a key role in the Bauschinger effect, strain hardening, micron-scale size effects and fatigue. During bending large…

Despite the exponential growth in computing resources and the availability of a myriad of different theoretical water models, an accurate, yet computationally efficient molecular level description of mesoscopic grain growth remains a grand…

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

In order to control the grain structure of multi-crystalline (mc) silicon during directional solidification, the development process of grain boundaries (GBs) with respect to the temperature gradient should be understood. A phase-field…

Materials Science · Physics 2022-06-13 Chuanqi Zhu , Yuichiro Koizumi , Chunwen Guo

The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…

Materials Science · Physics 2022-01-03 Brendon Waters , Zhi-Feng Huang

We report a combined experimental and simulation study of deformation-induced diffusion in compacted two-dimensional amorphous granular pillars, in which thermal fluctuations play negligible role. The pillars, consisting of bidisperse…

Soft Condensed Matter · Physics 2015-07-21 Wenbin Li , Jennifer M. Rieser , Andrea J. Liu , Douglas J. Durian , Ju Li

A numerical investigation of grain-boundary (GB) grooving by means of the Level Set (LS) method is carried out. GB grooving is emerging as a key element of electromigration drift in polycrystalline microelectronic interconnects, as…

Materials Science · Physics 2007-05-23 M. Khenner , A. Averbuch , M. Israeli , M. Nathan , E. Glickman

Stochastic models for pore collapse in granular materials are developed. First, a general fluctuating stress-strain relation for a plastic flow rule is derived. The fluctuations account for non-associativity in plastic deformations…

Soft Condensed Matter · Physics 2020-03-02 Joseph Bakarji , Daniel M. Tartakovsky

Microstructural changes in solids, driven by energy flows, do not develop in a static continuous space, such as the space considered in conventional plasticity models. The applied forces create an evolving internal energy landscape, which…

Materials Science · Physics 2024-12-19 Elijah Borodin , Afonso D. M. Barroso , Andrey P. Jivkov

This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…

Materials Science · Physics 2018-11-22 J. Segurado , R. A. Lebensohn , J. LLorca

Many technologically useful materials are polycrystals composed of a myriad of small monocrystalline grains separated by grain boundaries. Dynamics of grain boundaries play a crucial role in determining the grain structure and defining the…

Materials Science · Physics 2021-07-07 Katayun Barmak , Anastasia Dunca , Yekaterina Epshteyn , Chun Liu , Masashi Mizuno

Previous research focused on two different mechanisms of microstructure stabilization in alloys: thermodynamic stabilization by reducing the grain boundary (GB) free energy and kinetic stabilization by suppressing the GB mobility by solute…

Materials Science · Physics 2026-02-12 Omar Hussein , Yuri Mishin

Grain boundaries (GBs) play a fundamental role in the strengthening mechanism of crystalline structures by acting as an impediment to dislocation motion. However, the presence of an aggressive environment such as hydrogen increases the…

Materials Science · Physics 2016-02-17 I. Adlakha , K. N. Solanki

This paper presents a multi-temporal formulation for simulating elastoplastic solids under cyclic loading. We leverage the proper generalized decomposition (PGD) to decompose the displacements into multiple time scales, separating the…

Numerical Analysis · Mathematics 2023-11-14 Jacinto Ulloa , Geert Degrande , José E. Andrade , Stijn François

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

Dislocation-interface interactions dictate the mechanical properties of polycrystalline materials through dislocation absorption, emission and reflection and interface sliding. We derive a mesoscale interface boundary condition to describe…

Materials Science · Physics 2023-06-19 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han