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Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticity treatment of the long-range strain field around a…

Materials Science · Physics 2017-03-08 M. A. Bhatia , M. Azarnoush , I. Adlakha , G. Lu , K. N. Solanki

The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizumi et al . stated that the stable screw dislocation was…

Materials Science · Physics 2007-09-12 Laurent Pizzagalli , Pierre Beauchamp , Jacques Rabier

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

Crack front waves (FWs) are dynamic objects that propagate along moving crack fronts in 3D materials. We study FW dynamics in the framework of a 3D phase-field framework that features a rate-dependent fracture energy $\Gamma(v)$ ($v$ is the…

Materials Science · Physics 2023-10-05 Sanhita Das , Yuri Lubomirsky , Eran Bouchbinder

We investigate experimentally and theoretically the dynamics of a crack front during the micro-instabilities taking place in heterogeneous materials between two successive equilibrium positions. We focus specifically on the spatio-temporal…

Soft Condensed Matter · Physics 2018-12-12 Chopin Julien , Bhaskar Aditya , Jog Atharv , Ponson Laurent

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…

Computational Engineering, Finance, and Science · Computer Science 2025-10-20 Misato Suzuki , Mayu Muramatsu , Kazuyuki Shizawa

The thermodynamic description of dislocation glide in crystals depends crucially on the shape of the Peierls barrier that the dislocation has to overcome when moving in the lattice. While the height of this barrier can be obtained…

Materials Science · Physics 2014-09-04 R. Gröger

Dislocation is a very important one-dimensional defect in ferroelectrics. This work introduces an easy and flexible model of implementing the edge dislocation by introducing eigenstrain at the interface, and it could be easily extended to…

Materials Science · Physics 2024-03-26 Shuai Wang , Li-Hua Shao

Starting from a semi-empirical potential designed for Cu, we developed a series of potentials that provide essentially constant values of all significant (calculated) materials properties except for the intrinsic stacking fault energy,…

Materials Science · Physics 2015-06-11 Valery Borovikov , Mikhail I. Mendelev , Alexander H. King , Richard LeSar

Dislocation interactions at the crack nucleation site were investigated in near-alpha titanium alloy Ti-6242Si subjected to low cycle fatigue. Cyclic plastic strain in the alloy resulted in dislocation pile-ups in the primary alpha grains,…

Materials Science · Physics 2018-06-19 Sudha Joseph , Trevor C Lindley , David Dye

We study the mechanisms of slip transfer at a grain boundary, in titanium, using Differential Aperture X-ray Laue Micro-diffraction (DAXM). This 3D characterization tool enables measurement of the full (9-component) Nye lattice curvature…

Materials Science · Physics 2020-12-08 Yi Guo , David M. Collins , Edmund Tarleton , Felix Hofmann , Angus J. Wilkinson , T. Ben Britton

We propose an elasto-plastic inspired friction model which incorporates interfacial stiffness. Steady state sliding friction is characterized by a generic nonmonotonic behavior, including both velocity weakening and strengthening branches.…

Materials Science · Physics 2015-05-27 Eran Bouchbinder , Efim A. Brener , Itay Barel , Michael Urbakh

By using molecular dynamics simulations, the research examine how copper and silver nanowires respond to tensile loading in order to clarify their nanoscale deformation mechanisms. The results demonstrate that these two metal nanowires…

Materials Science · Physics 2025-05-02 Xiaorui Hu , Jiawei Xiong

Cross-slip is a thermally activated process by which screw dislocation changes its glide plane to another slip plane sharing the same Burgers vector. The rate at which this process happens is determined by a Boltzmann type expression that…

Materials Science · Physics 2022-09-29 Vignesh Vivekanandan , Ben Anglin , Anter El-Azab

We study elementary semiconductors and insulators that are symmetric under spatial inversion: silicon, diamond, germanium, and black phosphorene. These materials are ideal candidates for realizing obstructed atomic insulators, which differ…

Mesoscale and Nanoscale Physics · Physics 2026-02-26 Yuteng Zhou , Alexandre Chaduteau , Frank Schindler

Strain relief in lattice mismatched heteroepitaxy is mediated by formation and/or propagation of dislocations. Due to their technological significance, the process of strain relief in materials with face-centred cubic (fcc) lattices has…

Materials Science · Physics 2007-05-23 Atul Konkar

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

The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for…

Starting from the assumption that all possible orientations of grains are equally probable, we prove that the geometric factor of thermodynamic dislocation theory for polycrystals subjected to axially symmetric tension or compression must…

Materials Science · Physics 2020-03-30 Tuan Minh Tran , Khanh Chau Le , Thi Hoa Le

The effect of grain size on the flow stress of FCC polycrystals is analyzed by means of a multiscale strategy based on computational homogenization of the polycrystal aggregate. The mechanical behavior of each crystal is given by a…

Materials Science · Physics 2018-02-09 S. Haouala , J. Segurado , J. LLorca