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Theoretical calculations of the structure, formation and migration of kinks on a non-dissociated screw dislocation in silicon have been carried out using density functional theory calculations as well as calculations based on interatomic…

Materials Science · Physics 2008-12-18 Laurent Pizzagalli , Andreas Pedersen , Andri Arnaldsson , Hannes Jónsson , Pierre Beauchamp

Thermally-activated $\small{\nicefrac{1}{2}}<111>$ screw dislocation motion is the controlling plastic mechanism at low temperatures in body-centered cubic (bcc) crystals. Motion proceeds by the nucleation and propagation of atomic-sized…

Materials Science · Physics 2014-08-27 Alexander Stukowski , David Cereceda , Thomas D. Swinburne , Jaime Marian

Zirconium alloys are widely used as the fuel cladding material in pressurised water reactors, accumulating a significant population of defects and dislocations from exposure to neutrons. We present and interpret synchrotron microbeam X-ray…

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

The thermally activated motion of dislocations across fields of obstacles distributed at random and in a correlated manner, in separate models, is studied by means of computer simulations. The strain rate sensitivity and strength are…

Computational Physics · Physics 2018-07-27 Zhijie Xu , Catalin Picu

Matallic alloys, such as Al or Cu, or mild steel, display plastic instabilities in a well defined range of temperatures and deformation rates, a phenomenon known as the Portevin-Le Chatelelier (PLC) effect. The stick-slip behavior, or…

Materials Science · Physics 2014-02-12 Fabio Leoni , Stefano Zapperi

The importance of accurate simulation of the plastic deformation of ductile metals to the design of structures and components is well-known. Many techniques exist that address the length scales relevant to deformation pro- cesses, including…

Materials Science · Physics 2016-08-16 Reese Jones , Jonathan Zimmerman , Giacomo Po

The effects of dislocation climb on plastic deformation during loading and unloading are studied using a two-dimensional discrete dislocation dynamics model. Simulations are performed for polycrystalline thin films passivated on both…

Materials Science · Physics 2014-01-03 Kamyar M. Davoudi , Lucia Nicola , Joost J. Vlassak

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

Precipitation strengthening is one of the most effective methods to design alloys with the desired combination of strength and ductility. The main mechanism of strengthening is generally known to be the interaction between dislocations and…

Materials Science · Physics 2018-09-05 Amirreza Keyhani

Dislocations are line defects in crystals that multiply and self-organize into a complex network during strain hardening. The length of dislocation links, connecting neighboring nodes within this network, contains crucial information about…

Materials Science · Physics 2026-02-03 Sh. Akhondzadeh , Hanfeng Zhai , Wurong Jian , Ryan B. Sills , Nicolas Bertin , Wei Cai

Linear complexions are stable defect states, where the stress field associated with a dislocation induces a local phase transformation that remains restricted to nanoscale dimensions. As these complexions are born at the defects which…

Materials Science · Physics 2023-10-12 Divya Singh , Daniel S. Gianola , Timothy J. Rupert

In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…

Materials Science · Physics 2019-07-24 Xu Zhang , Jian Xiong , Haidong Fan , Michael Zaiser

In general, the cross-slip of superdislocations (a/2<011>) from {111} planes to {001} planes has been frequently observed in superalloys, accompanied by the formation of an antiphase boundary (APB) and driven by thermal activation. However,…

Materials Science · Physics 2025-08-26 Zhida Liang , Fengxian Liu , Xin Liu , Yang Li , Yinan Cui , Florian Pyczak

Micron-scale single crystalline materials deform plastically via large intermittent strain bursts that make the deformation process unpredictable. Here we investigate this stochastic phenomenon by analysing the plastic response of an…

Recent observations of jerky flow in high-entropy alloys (HEA) revealed a high role of self-organization of dislocations in their plasticity. The present work reports first results of investigation of stress fluctuations during plastic…

Movement of edge (line) dislocations in FCC steel 310S is shown to depend on the size on nanoscale structures, based on modeling withing molecular dynamics (MD). The effect is attributed to time (and size) dependencies of pressure…

Materials Science · Physics 2022-02-02 Zbigniew Kozioł

Intermittent motion, called stick--slip, is a friction instability that commonly occurs during relative sliding of two elastic solids. In adhesive polymer contacts, where elasticity and interface adhesion are strongly coupled, stick--slip…

Soft Condensed Matter · Physics 2022-06-06 Mohammad Aaquib Ansari , Koushik Viswanathan

The focus is on discrete defects that can be modeled by continuum mechanics, but where the discreteness of the carriers of plastic deformation plays a significant role. The formulations are restricted to small deformation kinematics and the…

Materials Science · Physics 2023-05-10 Alan Needleman

Built on the tenets of rational thermodynamics, this article proposes a theory of strain gradient thermo-visco-plasticity for isotropic polycrystalline materials under high strain rates. The effect of micro-inertia, which arises due to…

Materials Science · Physics 2016-01-28 Md M Rahaman , A Pathak , D Roy , J N Reddy