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As circuitry approaches single nanometer length scales, it is important to predict the stability of metals at these scales. The behavior of metals at larger scales can be predicted based on the behavior of dislocations, but it is unclear if…

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

We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidification. The method is applied in a comparative study of (i) a…

Materials Science · Physics 2015-05-14 Saryu Fensin , David Olmsted , Dorel Buta , Mark Asta , Alain Karma , J. J. Hoyt

The ability of a body-centered cubic metal to deform plastically is limited by the thermally activated glide motion of screw dislocations, which are line defects with a mobility exhibiting complex dependence on temperature, stress, and…

Materials Science · Physics 2020-11-25 M. Boleininger , M. Gallauer , S. L. Dudarev , T. D. Swinburne , D. R. Mason , D. Perez

The interaction between edge dislocations and Guinier-Preston zones in an Al-Cu alloy was analyzed by means of atomistic simulations. The different thermodynamic functions that determine the features of these obstacles for the dislocation…

Materials Science · Physics 2018-10-10 G. Esteban-Manzanares , E. Martínez , J. Segurado , L. Capolungo , J. LLorca

Understanding the grain boundary deformation dynamics is very crucial to designing materials with stable microstructures. With this quest, the deformation behavior of coherent twin boundary under cyclic shear loading has been studied in…

Materials Science · Physics 2022-11-24 J. Veerababu , G. Sainath , A. Nagesh

Stress-driven segregation at dislocations can lead to structural transitions between different linear complexion states. In this work, we examine how platelet array linear complexions influence dislocation motion and quantify the associated…

Materials Science · Physics 2024-04-11 Pulkit Garg , Daniel S. Gianola , Timothy J. Rupert

In this Thesis we first show how the shape of the Peierls barrier and its dependence on the applied loading can be extracted from the data obtained in atomistic studies at 0 K. We consider the Peierls barrier as a two-dimensional periodic…

Materials Science · Physics 2007-07-25 Roman Gröger

The yield behavior of crystalline solids is determined by the motion of defects like dislocations, twin boundaries and coherent phase boundaries. These solids are hardened by introducing precipitates -- small particles of a second phase. It…

Analysis of PDEs · Mathematics 2020-06-24 Luca Courte , Kaushik Bhattacharya , Patrick Dondl

A continuum model of the two dimensional low angle grain boundary motion and the dislocation structure evolution on the grain boundaries has been developed in Ref. [48]. The model is based on the motion and reaction of the constituent…

Materials Science · Physics 2020-01-14 Luchan Zhang , Yang Xiang

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The…

Soft Condensed Matter · Physics 2013-05-15 Ariel Amir , Jayson Paulose , David R. Nelson

Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…

Materials Science · Physics 2021-04-13 Yinguang Piao , Khanh Chau Le

The two-dimensional dislocation dynamics approach has been recently used for analyzing plastic deformation in metals and alloys at elevated temperatures. The two-dimensional approach, however, only accounts for the dislocation climbing…

Materials Science · Physics 2018-01-29 Amirreza Keyhani

Using a recently developed continuum theory of dislocation dynamics, we derive three new predictions about plasticity and grain boundary formation in crystals. (1) There will be a residual stress jump across grain boundaries and…

Disordered Systems and Neural Networks · Physics 2007-05-23 Surachate Limkumnerd James P. Sethna

Dislocation jogs have strong effects on dislocation motion that governs the strain-hardening behavior of crystalline solids, but how to properly account for their effect in mesoscale models remains poorly understood. We develop a mobility…

Materials Science · Physics 2025-09-09 Wu-Rong Jian , Yifan Wang , Wei Cai

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…

Statistical Mechanics · Physics 2009-11-07 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi , Jerome Weiss , Jean-Robert Grasso

Molecular dynamics (MD) simulations have been performed to investigate the fatigue deformation behaviour of polycrystalline Cu with grain size of 5.4 nm. The samples were prepared using Voronoi algorithm with random grain orientations.…

Materials Science · Physics 2016-11-09 G. Sainath , P. Rohith , B. K. Choudhary

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

We construct a new hydrodynamic framework describing plastic deformations in electronic crystals. The framework accounts for pinning, phase, and momentum relaxation effects due to translational disorder, diffusion due to the presence of…

Strongly Correlated Electrons · Physics 2023-04-20 Jay Armas , Erik van Heumen , Akash Jain , Ruben Lier

Plastic deformation of metals involves the complex evolution of dislocations forming strongly connected dislocation networks. These dislocation networks are based on dislocation reactions, which can form junctions during the interactions of…

Materials Science · Physics 2022-08-22 Balduin Katzer , Kolja Zoller , Daniel Weygand , Katrin Schulz