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Molecular dynamics (MD) simulations were performed to investigate the influence of mechanical strain on irradiation-induced defect and dislocation evolution in nickel single crystals subjected to cumulative overlapping 5 keV collision…

Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…

Computational Engineering, Finance, and Science · Computer Science 2022-03-31 Shiguang Deng , Carl Soderhjelm , Diran Apelian , Ramin Bostanabad

Dislocations are the primary carriers of plasticity in metallic material. Understanding the basic mechanisms for dislocation movement is paramount to predicting the material mechanical response. Relying on atomistic simulations, we observe…

The temperature evolution of icosahedral medium-range order formed by interpenetrating icosahedra in CuZr metallic glass-forming liquids was investigated via molecular dynamics simulations. Scaling analysis based on percolation theory was…

Disordered Systems and Neural Networks · Physics 2016-10-20 Z. W. Wu , F. X. Li , C. W. Huo , M. Z. Li , W. H. Wang , K. X. Liu

Self-organization creates new order and shifts sub-boundaries while reorganizing energy and entropy within a control volume. This article examines pathway selection and tests whether maximizing the entropy generation rate can forecast…

Materials Science · Physics 2026-03-10 J. A. Sekhar

The contribution to the low frequency internal friction and the thermal conductivity due to optically vibrating edge dislocation dipoles is calculated within the modified Granato-Lucke string model. The results are compared with the recent…

Disordered Systems and Neural Networks · Physics 2009-11-10 D. V. Churochkin , S. Sahling , V. A. Osipov

In solids, chemical short-range order (CSRO) refers to the self-organisation of atoms of certain species occupying specific crystal sites. CSRO is increasingly being envisaged as a lever to tailor the mechanical and functional properties of…

During plastic deformation, metals change shape while continuously becoming stronger. The microscopic origin of these processes lies in the proliferation and movement of line defects, dislocations, and the subsequent self-organisation and…

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

Crystal plasticity of sub-micron finite volumes is characterized by the flow of emergent dislocation defects, giving rise to size effects in mechanical properties and avalanche phenomena. In this chapter, we present a minimal model for…

Materials Science · Physics 2019-08-09 Stefanos Papanikolaou , Michail Tzimas

Understanding the evolution of dislocation structures during plastic deformation is critical for predicting the mechanical performance of metallic materials. In this work, we applied in situ scanning electron microscopy/electron backscatter…

Materials Science · Physics 2026-03-24 Mikhail Lebyodkin , Maxim Gussev , Jamieson Brechtl , Tatiana Lebedkina

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

Refractory high entropy alloys (R-HEAs) are having properties and uses as high strength and high hardness materials for ambient and high temperature, aerospace and nuclear radiation tolerance applications, orthopedic applications etc. The…

Materials Science · Physics 2020-10-23 Shashank Mishra , Soumyadipta Maiti , Beena Rai

Predicting the behaviour of complex systems is one of the main goals of science. An important example is plastic deformation of micron-scale crystals, a process mediated by collective dynamics of dislocations, manifested as broadly…

Materials Science · Physics 2022-06-03 Marcin Mińkowski , David Kurunczi-Papp , Lasse Laurson

The kinetics of dislocations is studied with computer simulation at loadings of different intensity. It is established that the dislocations have a few different structural states. The dislocations "with the micropore" play important role…

Materials Science · Physics 2007-05-23 L. S. Metlov

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

Due to their remarkable mechanical and chemical properties, Ti-Al based materials are attracting considerable interest in numerous fields of engineering, such as automotive, aerospace, and defense. With their low density, high strength, and…

Mesoscale and Nanoscale Physics · Physics 2023-11-09 Tianjiao Li , Chenxi Tian , Atieh Moridi , Jingjie Yeo

We explore how the thermodynamic properties and dynamics of a self-interstitial prismatic dislocation loop are affected by microscopic-scale variations in its geometric configuration, an aspect that rarely received attention in literature.…

Materials Science · Physics 2026-05-12 Sho Hayakawa , Sergei L. Dudarev , Max Boleininger

Chemical short-range order (SRO) refers to preference or avoidance between neighboring atomic species, which significantly impacts the properties of advanced alloys. However, quantifying and further controlling SRO remains a major…

Dislocation-mediated plastic deformation in ceramic materials has sparked renewed research interest due to the technological potential of dislocations. Despite the long research history of dislocations as one-dimensional lattice defects in…

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