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Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…

Materials Science · Physics 2021-04-13 Yinguang Piao , Khanh Chau Le

Solute segregation at grain boundaries (GBs) of polycrystals strongly impacts the mechanical properties of metals including strength, fracture, embrittlement, and corrosion. However, the complexity of GB structures and the large chemical…

Materials Science · Physics 2024-12-24 Hao Wu , Xin Li , Wang Gao , Qing Jiang

Because of the enormous range of time and space scales involved in dislocation dynamics, plastic modeling at macroscale requires a continuous formulation. In this paper, we present a rigorous formulation of the transition between the…

Materials Science · Physics 2016-06-22 P. L. Valdenaire , Y. Le Bouar , B. Appolaire , A. Finel

We use confocal microscopy and time-resolved light scattering to investigate plasticity in a col- loidal polycrystal, following the evolution of the network of grain boundaries as the sample is submitted to thousands of shear deformation…

Soft Condensed Matter · Physics 2014-08-28 Elisa Tamborini , Luca Cipelletti , Laurence Ramos

This work rigorously implements a recent model of large-strain elasto-plastic evolution in single crystals where the plastic flow is driven by the movement of discrete dislocation lines. The model is geometrically and elastically nonlinear,…

Analysis of PDEs · Mathematics 2024-02-27 Filip Rindler

We analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of…

Materials Science · Physics 2021-05-26 T. Frolov , D. L. Medlin , M. Asta

The role of plastic deformation in the high-pressure compaction of granular material is investigated using bonded particle model simulations. Grains are discretized into a set of computational particles connected by pairwise bonds. Bonds…

Soft Condensed Matter · Physics 2024-10-21 Joel T. Clemmer , Jeremy B. Lechman

Plastic inhomogeneity, particularly localised strain, is one of the main mechanisms responsible for failures in engineering alloys. This work studied the spatial arrangement and distribution of microstructure and their influence in the…

Materials Science · Physics 2023-03-21 Jalal Al-Lami , Thibaut Dessolier , Talha Pirzada , Minh-Son Pham

A simple analytical model of intergranular normal stresses is proposed for a general elastic polycrystalline material with arbitrary shaped and randomly oriented grains under uniform loading. The model provides algebraic expressions for the…

Materials Science · Physics 2023-04-21 Samir El Shawish , Timon Mede

The grain boundary-mediated mechanisms that control plastic deformation of nanocrystalline metals should cause evolution of the grain boundary network, since they directly alter misorientation relationships between crystals. Unfortunately,…

Materials Science · Physics 2016-07-21 Jason F. Panzarino , Timothy J. Rupert

Atomistic simulations provide the most detailed picture of grain boundary (GB) migration currently available. Nevertheless, extracting unit mechanisms from atomistic simulation data is difficult because of the zoo of competing,…

Materials Science · Physics 2025-06-06 Ian Chesser , Brandon Runnels , Elizabeth Holm

Multiscale models of materials, consisting of upscaling discrete simulations to continuum models, are unique in their capability to simulate complex materials behavior. The fundamental limitation in multiscale models is the presence of…

Computational Engineering, Finance, and Science · Computer Science 2020-12-22 Jingye Tan , Umberto Villa , Nima Shamsaei , Shuai Shao , Hussein M. Zbib , Danial Faghihi

A novel continuum theory of incoherent interfaces with triple junctions is applied to study three-dimensional coupled grain boundary (GB) motion in polycrystalline materials. The kinetic relations for grain dynamics, relative sliding and…

Materials Science · Physics 2017-02-08 Anup Basak , Anurag Gupta

To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…

Materials Science · Physics 2021-05-12 István Groma , Péter Dusán Ispánovity , Thomas Hochrainer

Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws…

In this paper, we present a continuum model for the dynamics of low angle grain boundaries in two dimensions based on the motion of constituent dislocations of the grain boundaries. The continuum model consists of an equation for the motion…

Materials Science · Physics 2018-06-13 Luchan Zhang , Yang Xiang

Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…

Computational Engineering, Finance, and Science · Computer Science 2022-12-14 Victor Grand , Baptiste Flipon , Alexis Gaillac , Marc Bernacki

This paper presents an overview of recent computer simulations of grain boundary (GB) diffusion focusing on atomistic understanding of diffusion mechanisms. At low temperatures when GB structure is ordered, diffusion is mediated by point…

Materials Science · Physics 2019-04-25 Y. Mishin

A systematic study on the different roles of the governing components of a well-defined finite-deformation gradient crystal-plasticity model proposed by (Gurtin, 2008b) is carried out, in order to visualize the capability of the model in…

Computational Physics · Physics 2017-09-13 Habib Pouriayevali , Bai-Xiang Xu