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The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the Embedded Atom Method (EAM) and molecular statics simulations. Results of atomic…

Materials Science · Physics 2008-09-10 Emmanuel Clouet , Sébastien Garruchet , Hoang Nguyen , Michel Perez , Charlotte Becquart

The influence of the surface pre-deformation on jerky flow caused by the Portevin-Le Chatelier (PLC) effect was investigated using flat tensile specimens of an Al-Mg alloy. Although jerky flow represents a macroscopic plastic instability,…

Cross slip of screw dislocations in crystalline solids is a stress-driven thermally activated process essential to many phenomena during plastic deformation, including dislocation pattern formation, strain hardening, and dynamic recovery.…

Materials Science · Physics 2023-03-14 Yifan Wang , Wei Cai

In this work, molecular dynamics (MD) simulations were used to investigate elementary dislocation properties in a Co-free high entropy (HEA) model alloy ($Cr_{15}Fe_{46}Mn_{17}Ni_{22}$ at. %) in comparison with a model alloy representative…

Atomic and Molecular Clusters · Physics 2022-05-19 Ayobami Daramola , Anna Fraczkiewicz , Giovanni Bonny , Akiyoshi Nomoto , Gilles Adjanor , Christophe Domain , Ghiath Monnet

Tensile tests were carried out by deforming polycrystalline samples of Al-2.5%Mg alloy at four different temperatures in an intermediate strain rate regime of 2x10-4s-1 to 2x10-3s-1. The Portevin-Le Chatelier (PLC) effect was observed…

Materials Science · Physics 2015-05-20 A. Chatterjee , K. L. Murty , N. Gayathri , P. Mukherjee , P. Barat

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…

Materials Science · Physics 2009-11-07 Gang Lu , Vasily V. Bulatov , Nicholas Kioussis

In spin-crossover materials, the volume of a molecule changes depending on whether it is in the high-spin (HS) or low-spin (LS) state. This change causes distortion of the lattice. Elastic interactions among these distortions play an…

Materials Science · Physics 2009-11-13 Seiji Miyashita , Yusuké Konishi , Masamichi Nishino , Hiroko Tokoro , Per Arne Rikvold

A recent study demonstrated that granular crystals containing a single dislocation exhibit dislocation glide analogous to that observed in atomic-scale crystals, resulting in plastic deformation at yield stresses several orders of magnitude…

Soft Condensed Matter · Physics 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

We report a study of the temperature and stress dependence of the friction associated with a relative motion of two masses of solid $^4$He in contact. The situation where "two masses" coupled only by friction exists emerges spontaneously…

Other Condensed Matter · Physics 2015-07-17 Anna Eyal , Ethan Livne , Emil Polturak

Using extensive molecular dynamics simulations of an equilibrium, glass-forming Lennard-Jones mixture, we characterize in detail the local atomic motions. We show that spatial correlations exist among particles undergoing extremely large…

Soft Condensed Matter · Physics 2009-10-31 C. Donati , S. C. Glotzer , P. H. Poole , W. Kob , S. J. Plimpton

Metals are important structural materials for transport and the built environment. Low carbon steels can fail through strain localisation due to the role of interstitial solute atoms (such as carbon and nitrogen) interacting with mobile…

Materials Science · Physics 2019-01-24 James L R Hickey , S Rouland , T B Britton

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…

Materials Science · Physics 2017-07-19 K. C. Le , T. M. Tran , J. S. Langer

Dislocation-solute interaction plays fundamental roles in mechanical properties of alloys. Here, we disclose the essential features of dislocation-carbon interaction in austenitic Fe at the atomistic scale. We show that passage of a…

Materials Science · Physics 2020-01-20 Ruiwen Xie , Song Lu , Wei Li , Yanzhong Tian , Levente Vitos

The interplay of screw dislocations with carbon atoms is investigated in tungsten at high temperature using in situ straining experiments in a transmission electron microscope (TEM) and through ab initio calculations. When the temperature…

Materials Science · Physics 2021-11-24 Guillaume Hachet , Daniel Caillard , Lisa Ventelon , Emmanuel Clouet

The close-range interaction of dislocations and solute clusters in the Al-Mg binary system is studied by means of atomistic simulations. We evaluate the binding energy of dislocations to the thermodynamically stable solute atmospheres that…

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

Tensile tests were carried out by deforming polycrystalline samples of an interstitial alloy, low carbon steel at room temperature in a wide range of strain rates where the Portevin-Le Chatelier (PLC) effect was observed. The observed…

Materials Science · Physics 2007-05-23 A. Sarkar , A. Chatterjee , P. Barat , P. Mukherjee

The deformation behaviour of the intermetallic Al$_{2}$Cu-phase was investigated using atomistic simulations and micropillar compression, where slip on the unexpected {211} and {022} slip planes was revealed. Additionally, all possible slip…

Materials Science · Physics 2021-08-26 D. Andre , Z. Xie , F. Ott , J. T. Pürstl , N. Lohrey , W. J. Clegg , S. Sandlöbes-Haut , S. Korte-Kerzel

Recent experiments in metallic solid solutions have revealed interesting correlations between static pair-displacements and the ordering behavior of these alloys. This paper discusses a simple theoretical model which successfully explains…

mtrl-th · Physics 2016-09-07 Bulbul Chakraborty

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

Molecular static simulations have been performed to study the interaction between a single dislocation and a substitutional Al solute atom in a pure crystal of Ni. When the Al solute is situated at intermediate distance from the slip plane,…

Classical Physics · Physics 2009-03-04 Sylvain Patinet