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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…

材料科学 · 物理学 2007-09-12 Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp

A novel model based on the Peierls framework of dislocations is developed. The new theory can deal with a dislocation spreading at more than one slip planes. As an example, we study dislocation cross-slip and constriction process of two fcc…

材料科学 · 物理学 2009-11-07 Gang Lu , Vasily V. Bulatov , Nicholas Kioussis

Strain fields, dislocations and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields…

介观与纳米尺度物理 · 物理学 2015-10-20 L. L. Bonilla , A. Carpio , C. Gong , J. H. Warner

Solids with spatial variations in the crystalline axes naturally evolve into cells or grains separated by sharp walls. Such variations are mathematically described using the Nye dislocation density tensor. At high temperatures,…

材料科学 · 物理学 2009-11-11 Surachate Limkumnerd , James P. Sethna

Strain hardening is a key feature observed in many rocks deformed in the so-called ``semi-brittle'' regime, where both crystal plastic and brittle deformation mechanisms operate. Dislocation storage has long been recognised as a major…

地球物理 · 物理学 2025-02-14 Nicolas Brantut

We develop a model for the gliding of dislocations and plasticity in solid He-4. This model takes into account the Peierls barrier, multiplication and interaction of dislocations, as well as classical thermally and mechanically activated…

We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…

材料科学 · 物理学 2013-11-26 Meijie Tang , Jaime Marian

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…

We study strain-controlled plastic deformation of crystalline solids via two-dimensional discrete dislocation dynamics simulations. To this end, we characterize the average stress-strain curves as well as the statistical properties of…

材料科学 · 物理学 2021-09-01 David Kurunczi-Papp , Lasse Laurson

In this paper, we deduce a macroscopic strain gradient theory for plasticity from a model of discrete dislocations. We restrict our analysis to the case of a cylindrical symmetry for the crystal in exam, so that the mathematical formulation…

数学物理 · 物理学 2008-08-19 Adriana Garroni , Giovanni Leoni , Marcello Ponsiglione

Most of crystalline materials develop an hysteresis on their deformation curve when a mechanical loading is applied in alternating directions. This effect, also known as the Bauschinger effect, is intimately related to the reversibile part…

材料科学 · 物理学 2022-01-03 Sylvain Queyreau , Benoit Devincre

We propose a framework to model elastic properties of polycrystals by coupling crystal orientational degrees of freedom with elastic strains. Our model encodes crystal symmetries and takes into account explicitly the strain compatibility…

材料科学 · 物理学 2009-11-07 Rajeev Ahluwalia , Turab Lookman , Avadh Saxena

An exactly solvable phase-field theory of dislocation dynamics, strain hardening and hysteresis in ductile single crystals is developed. The theory accounts for: an arbitrary number and arrangement of dislocation lines over a slip plane;…

材料科学 · 物理学 2009-11-07 M. Koslowski , A. M. Cuitiño , M. Ortiz

Thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity k of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal…

材料科学 · 物理学 2014-06-05 Yanlei Wang , Zhigong Song , Zhiping Xu

The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…

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…

材料科学 · 物理学 2018-12-04 Rajat Arora , Amit Acharya

A two-dimensional (2D) dislocation continuum theory is being introduced. The present theory adds elastic rotation, dislocation density, and background stress to the classical energy density of elasticity. This theory contains four material…

介观与纳米尺度物理 · 物理学 2015-10-15 Markus Lazar

We present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial…

材料科学 · 物理学 2020-10-28 Sh. Akhondzadeh , Ryan B. Sills , Nicolas Bertin , Wei Cai

In this study, the effect of ferrite grain size on the mechanical properties and dislocation behavior of dual-phase (DP) steel is investigated using dislocation-based crystal plasticity finite element analysis. DP steel, composed of a soft…

计算工程、金融与科学 · 计算机科学 2025-10-20 Misato Suzuki , Mayu Muramatsu , Kazuyuki Shizawa

Atomic crystals with dislocations deform plastically at low stresses via dislocation glide. Whether dislocation glide occurs in macroscopic frictional granular media has remained unknown. The discrete element method is employed to simulate…

材料科学 · 物理学 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi