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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

A (microscopic) static elastoplastic field theory of dislocations with moment and force stresses is considered. The relationship between the moment stress and the Nye tensor is used for the dislocation Lagrangian. We discuss the stress…

Materials Science · Physics 2016-10-26 Markus Lazar

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

Dielectric spectroscopy of a twist bend nematic phase of an achiral bent core liquid crystalline compound under DC bias is used to investigate its response to electric field. Two collective relaxation processes are revealed, these are…

Soft Condensed Matter · Physics 2018-09-12 K. Merkel , A. Kocot , J. K. Vij , G. Shanker

Theory predicts limiting gliding velocities that dislocations cannot overcome. Computational and recent experiments have shown that these limiting velocities are soft barriers and dislocations can reach transonic speeds in high rate plastic…

Materials Science · Physics 2025-02-18 Kathryn R. Jones , Khanh Dang , Daniel N. Blaschke , Saryu J. Fensin , Abigail Hunter

Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, posing significant challenges in processing and major concerns for damage tolerance. The brittleness is largely dictated by the screw dislocation core; the…

Materials Science · Physics 2022-09-27 Rui Wang , Lingyu Zhu , Subrahmanyam Pattamatta , David J. Srolovitz , Zhaoxuan Wu

Large-scale atomistic calculations, using empirical potentials for modeling semiconductors, have been performed on a stressed system with linear surface defects like steps. Although the elastic limits of systems with surface defects remain…

Materials Science · Physics 2007-09-12 Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp

In the experiments on stress-induced phase transitions in SMA strips, several interesting instability phenomena have been observed, including a necking-type instability, a shear-type instability and an orientation instability. By using the…

Classical Physics · Physics 2009-10-15 Hui-Hui Dai , Zongxi Cai

Interactions among dislocations and solute atoms are the basis of several important processes in metals plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which…

Materials Science · Physics 2018-04-18 Yue Zhao , Jaime Marian

We employ {\it{ab-initio}} calculations to investigate the charge density waves in single-layer NbSe$_2$, and we explore how they are affected by transition metal atoms. Our calculations reproduce the observed orthorhombic phase in…

In this work, we present a 3D Phase Field Dislocation Dynamics (PFDD) model for body-centered cubic (BCC) metals. The model formulation is extended to account for the dependence of the Peierls barrier on the line-character of the…

Materials Science · Physics 2019-09-24 Xiaoyao Peng , Nithin Mathew , Irene J. Beyerlein , Kaushik Dayal , Abigail Hunter

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

Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…

Materials Science · Physics 2016-08-04 Amlan Dutta

A field theory is developed for a thermodynamical description of array of parallel non-singular screw dislocations in elastic cylinder. The partition function of the system is considered in the functional integral form. Self-energy of the…

Materials Science · Physics 2015-05-30 C. Malyshev

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

Plasticity in body-centred cubic (BCC) metals, including dislocation interactions at grain boundaries, is much less understood than in face-centred cubic (FCC) metals. At low temperatures additional resistance to dislocation motion due to…

Materials Science · Physics 2020-06-11 Martin Heller , James S. K. -L. Gibson , Risheng Pei , Sandra Korte-Kerzel

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

As fundamental one-dimensional defects, screw dislocations profoundly reshape the energy landscape and carrier dynamics of crystalline materials. By restoring the exact algebra of the screw dislocation group, we unveil the latent symmetry…

Materials Science · Physics 2026-04-23 Yuncheng Xie , Haozhe Shi , Menglin Huang , Weibin Chu , Shiyou Chen , Xin-Gao Gong

We study numerically the minimum energy path and energy barriers for dislocation nucleation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Stress relaxation processes from coherent to…

Materials Science · Physics 2009-11-07 O. Trushin , E. Granato , S. C. Ying , P. Salo , T. Ala-Nissila

Dislocations, line defects in crystalline materials, play an essential role in the mechanical[1,2], electrical[3], optical[4], thermal[5], and phase transition[6] properties of these materials. Dislocation motion, an important mechanism…

Materials Science · Physics 2023-07-04 Mingqiang Li , Yidi Shen , Kun Luo , Qi An , Peng Gao , Penghao Xiao , Yu Zou