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On the basis of the classical dislocation theory, the Solid Solution Hardening (SSH) is commonly ascribed to the pinning of the edge dislocations. At the atomic level, the theoretical study of the dislocation cores contrasts with such a…

Materials Science · Physics 2009-11-13 Sylvain Patinet , Laurent Proville

Metals with fcc structure may exhibit deformation twinning under specific conditions, which is an interesting but somewhat elusive aspect of their deformation behavior. It is well acknowledged that the phenomenon occurs through the…

Materials Science · Physics 2020-08-28 Sri Sadgun Reddy Pulagam , Amlan Dutta

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

In recent years there has been renewed interest in the behavior of dislocations in crystals that exhibit strong atomic scale disorder, as typical of compositionally complex single phase alloys. The behavior of dislocations in such crystals…

Materials Science · Physics 2021-10-26 Aviral Vaid , De'an Wei , Erik Bitzek , Samaneh Nasiri , Michael Zaiser

Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…

Dislocations are line defects in crystalline solids and often exert a significant influence on the mechanical properties of metals. Recently, there has been a growing interest in using dislocations in ceramics to enhance materials…

Materials Science · Physics 2025-10-28 Haoxuan Wang , Yifan Wang , Xu Liang , Wenshan Yu , Xufei Fang , Shengping Shen

We compare the models that have been proposed in the literature for the atomic structure of the 90-degree partial dislocation in the homopolar semiconductors, silicon, diamond, and germanium. In particular, we examine the traditional…

Materials Science · Physics 2009-10-31 R. W. Nunes , David Vanderbilt

Dislocation patterning and self-organization during plastic deformation are associated with work hardening, but the exact mechanisms remain elusive. This is partly because studies of the structure and local strain during the initial stages…

Twin growth in hexagonal close-packed zirconium is investigated at the atomic scale by modeling the various disconnections that can exist on twin boundaries. Thanks to a coupling with elasticity theory, core energies are extracted from…

Materials Science · Physics 2017-05-08 Olivier Mackain , Maeva Cottura , David Rodney , Emmanuel Clouet

Recently, a dislocation free deformation mechanism was proposed by Kiritani et al., based on a series of experiments where thin foils of fcc metals were deformed at very high strain rates. In the experimental study, they observed a large…

Materials Science · Physics 2015-06-24 J. Schiøtz , T. Leffers , B. N. Singh

We study the mechanisms of slip transfer at a grain boundary, in titanium, using Differential Aperture X-ray Laue Micro-diffraction (DAXM). This 3D characterization tool enables measurement of the full (9-component) Nye lattice curvature…

Materials Science · Physics 2020-12-08 Yi Guo , David M. Collins , Edmund Tarleton , Felix Hofmann , Angus J. Wilkinson , T. Ben Britton

The ability to control the stress-induced phase transformation of the shape memory alloy, NiTi, is an important technological challenge that must be understood for their wide application in devices that can exploit their reversible strain…

Materials Science · Physics 2024-06-19 Himanshu Vashishtha , David M. Collins

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 motion--the atomic-scale mechanism of crystal plasticity--governs the strength and ductility of materials. In functional materials, external stimuli beyond mechanical stress can also affect dislocation glide. In the wide band…

Global optimization of transition paths in complex atomic scale systems is addressed in the context of misfit dislocation formation in a strained Ge film on Si(001). Such paths contain multiple intermediate minima connected by minimum…

Materials Science · Physics 2016-06-22 Emile Maras , Oleg Trushin , Alexander Stukowski , Tapio Ala-Nissila , Hannes Jonsson

Atomically thin polycrystalline transition-metal dichalcogenides (TMDs) are relevant to both fundamental science investigation and applications. TMD thin-films present uniquely difficult challenges to effective nanoscale crystalline…

Mesoscale and Nanoscale Physics · Physics 2020-01-31 Brian Shevitski , Christopher T. Chen , Christoph Kastl , Tevye Kuykendall , Adam Schwartzberg , Shaul Aloni , Alex Zettl

The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…

Materials Science · Physics 2026-01-28 DeAn Wei , Michael Zaiser , Jing Tang , Xu Zhang

We develop a continuum dislocation description of twist and stretch moire superlattices in 2D material bilayers. The continuum formulation is based on the topological constraints introduced by the periodic dislocation network associated…

Materials Science · Physics 2020-11-18 Emil Annevelink , Harley Johnson , Elif Ertekin

Decreasing thermal conductivity is important for designing efficient thermoelectric devices. Traditional engineering strategies have focused on point defects and interface design. Recently, dislocations as line defects have emerged as a new…

Materials Science · Physics 2025-07-01 Jinxue Ding , Jiawen Zhang , Jinfeng Dong , Kimitaka Higuchi , Atsutomo Nakamura , Wenjun Lu , Bo Sun , Xufei Fang

We use a discrete dislocation dynamics (DDD) approach to study the motion of a dislocation under strong stochastic forces that may cause bending and roughening of the dislocation line on scales that are comparable to the dislocation core…

Materials Science · Physics 2018-07-26 Jianhui Zhai , Michael Zaiser
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