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This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…

Materials Science · Physics 2019-01-08 Emmanuel Clouet

Quantitative Transmission Electron Microscopy (TEM) during in-situ straining experiment is able to reveal the motion of dislocations -- linear defects in the crystal lattice of metals. In the domain of materials science, the knowledge about…

Computer Vision and Pattern Recognition · Computer Science 2023-09-08 Karina Ruzaeva , Kishan Govind , Marc Legros , Stefan Sandfeld

A clear understanding of the dynamic behavior of metals is critical for developing superior structural materials as well as for improving material processing techniques such as cold spray and shot peening. Using a high velocity (from 120…

Materials Science · Physics 2023-02-22 Jizhe Cai , Claire Griesbach , Savannah G. Ahnen , Ramathasan Thevamaran

Plastic deformation of micron-scale crystalline solids exhibits stress-strain curves with significant sample-to-sample variations. It is a pertinent question if this variability is purely random or to some extent predictable. Here we show,…

Disordered Systems and Neural Networks · Physics 2020-01-31 Henri Salmenjoki , Mikko J. Alava , Lasse Laurson

From their birth in the manufacturing process, materials inherently contain defects that affect the mechanical behavior across multiple length and time-scales, including vacancies, dislocations, voids and cracks. Understanding, modeling,…

Materials Science · Physics 2020-12-10 Eduardo A. Barros de Moraes , Jorge L. Suzuki , Mohsen Zayernouri

Two-dimensional simulations of the coarsening process of the isotropic/smectic-A phase transition are presented using a high-order Landau-de Gennes type free energy model. Defect annihilation laws for smectic disclinations, elementary…

Soft Condensed Matter · Physics 2008-06-30 Nasser Mohieddin Abukhdeir , Alejandro D Rey

Dislocations play a key role in the understanding of many phenomena in solid state physics, materials science, crystallography and engineering. Dislocations are line defects producing distortions and self-stresses in an otherwise perfect…

Materials Science · Physics 2018-03-12 Markus Lazar

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

Two-dimensional (2D) layered materials hosting dislocations have attracted considerable research attention in recent years. In particular, screw dislocations can result in a spiral topology and an interlayer twist in the layered materials,…

Materials Science · Physics 2020-12-23 Rui Chen , Jinhua Cao , Stephen Gee , Yin Liu , Jie Yao

Predicting the process of porosity-based ductile damage in polycrystalline metallic materials is an essential practical topic. Ductile damage and its precursors are represented by extreme values in stress and material state quantities, the…

Materials Science · Physics 2023-08-09 Yinling Zhang , Nan Chen , Curt A. Bronkhorst , Hansohl Cho , Robert Argus

Dislocations in soft condensed matter systems such as lamellar systems of polymers, liquid crystals and ternary mixtures of oil, water and surfactant (amphiphilic systems) are described in the framework of continuum elastic theory. These…

Condensed Matter · Physics 2015-06-25 R. Holyst , P. Oswald

Crystalline materials deform in an intermittent way via dislocation-slip avalanches. Below a critical stress, the dislocations are jammed within their glide plane due to long-range elastic interactions and the material exhibits plastic…

Soft Condensed Matter · Physics 2015-05-20 Georgios Tsekenis , Nigel Goldenfeld , Karin A. Dahmen

In recent years, the behavior of dislocations in random solid solutions has received renewed interest, and several models have been discussed where random alloys are treated as effective media containing random distributions of dilatation…

Materials Science · Physics 2025-03-20 Ronghai Wu , Michael Zaiser

Point defects have a strong influence on the physical properties of materials, often dominating the electronic and optical behavior in semiconductors and insulators. The simulation and analysis of point defects is therefore crucial for…

Materials Science · Physics 2024-03-12 Jimmy-Xuan Shen , Lars F. Voss , Joel Basile Varley

In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and cell wall formation are important to understanding the…

Materials Science · Physics 2023-05-04 Jaehyun Cho , Luke L. Hsiung , Robert E. Rudd , Sylvie Aubry

Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya

Dislocations are the main carriers of the permanent deformation of crystals. For simulations of engineering applications, continuum models where material microstructures are represented by continuous density distributions of dislocations…

Materials Science · Physics 2018-03-02 Xiaohua Niu , Yichao Zhu , Shuyang Dai , Yang Xiang

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

Conventional discrete-to-continuum approaches have seen their limitation in describing the collective behaviour of the multi-polar configurations of dislocations, which are widely observed in crystalline materials. The reason is that…

Materials Science · Physics 2016-04-12 Stephen Jonathan Chapman , Yang Xiang , Yichao Zhu

The availability of big data in materials science offers new routes for analyzing materials properties and functions and achieving scientific understanding. Finding structure in these data that is not directly visible by standard tools and…