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A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core…

Materials Science · Physics 2023-12-22 Anwen Liu , Tongqi Wen , Jian Han , David J. Srolovitz

Discrete models of dislocations in cubic crystal lattices having one or two atoms per unit cell are proposed. These models have the standard linear anisotropic elasticity as their continuum limit and their main ingredients are the elastic…

Materials Science · Physics 2009-11-13 L. L. Bonilla , A. Carpio , I. Plans

We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles…

Materials Science · Physics 2009-10-31 Gang Lu , Nicholas Kioussis , Vasily V. Bulatov , Efthimios Kaxiras

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum-mechanical theory of dislocation remains undiscovered for…

Materials Science · Physics 2017-01-27 Mingda Li , Wenping Cui , M. S. Dresselhaus , Gang Chen

Dislocation is one of the most critical and fundamental crystal defects that dominate the mechanical behavior of crystalline solids, however, a quantitative determination of its character and property in experiments is quite challenging and…

Materials Science · Physics 2019-07-24 S. H. Zhang , D. Legut , R. F. Zhang

A continual model of non-singular screw dislocation lying along a straight infinitely long circular cylinder is investigated in the framework of translational gauge approach with the Hilbert--Einstein gauge Lagrangian. The stress--strain…

Materials Science · Physics 2007-05-23 C. Malyshev

By means of linear theory of elastoplasticity, solutions are given for screw and edge dislocations situated in an isotropic solid. The force stresses, strain fields, displacements, distortions, dislocation densities and moment stresses are…

Materials Science · Physics 2007-05-23 Markus Lazar

In this paper we introduce Peierls-Nabarro type models for edge dislocations at semi-coherent interfaces between two heterogeneous crystals, and prove the optimality of uniformly distributed edge dislocations. Specifically, we show that the…

Analysis of PDEs · Mathematics 2023-04-26 Silvio Fanzon , Marcello Ponsiglione , Riccardo Scala

A phase field model of a crystalline material at the mesoscale is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase field free energy…

Materials Science · Physics 2018-03-07 Audun Skaugen , Luiza Angheluta , Jorge Viñals

The dynamics of defect excitations in crystalline solids is necessary to understand the macroscopic low-energy properties of elastic media. We use fracton-elasticity duality to systematically study the defect dynamics and interactions in…

Materials Science · Physics 2024-05-07 Lazaros Tsaloukidis , Piotr Surówka

A method is presented for solving elastodynamic problems in radially inhomogeneous elastic materials with spherical anisotropy, i.e.\ materials such that $c_{ijkl}= c_{ijkl}(r)$ in a spherical coordinate system ${r,\theta,\phi}$. The time…

Materials Science · Physics 2011-12-26 A. N. Norris , A. L. Shuvalov

The Peierls stress of the a/2<110> screw dislocation belonging to the shuffle set is calculated for silicon using density functional theory. We have checked the effect of boundary conditions by using two models, the supercell method where…

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

A new formulation for the equation of motion of interacting dislocations is derived. From this solution it is shown that additional coupling forces, of kinetic and inertial origin, should be considered in Dislocation Dynamics (DD)…

Materials Science · Physics 2010-09-01 L. Pillon , C. Denoual

The Peierls-Nabarro (PN) model for dislocations is a hybrid model that incorporates the atomistic information of the dislocation core structure into the continuum theory. In this paper, we study the convergence from a full atomistic model…

Analysis of PDEs · Mathematics 2018-06-13 Tao Luo , Pingbing Ming , Yang Xiang

In quasicrystals, there are not only conventional, but also phason displacement fields and associated Burgers vectors. We have calculated approximate solutions for the elastic fields induced by two-, three- and fivefold straight screw- and…

Materials Science · Physics 2009-11-07 M. Ricker , J. Bachteler , H. -R. Trebin

We present a general scheme for analyzing the structure and mobility of dislocations based on solutions of the Peierls-Nabarro model with a two component displacement field and restoring forces determined from the ab-initio generalized…

Condensed Matter · Physics 2009-10-31 Oleg N. Mryasov , Yu. N. Gornostyrev , A. J. Freeman

The plasticity transition at the yield strength of a crystal typically signifies the tendency of dislocation defects towards relatively unrestricted motion. For an isolated dislocation the motion is in the slip plane with velocity…

Materials Science · Physics 2020-01-15 Péter Dusán Ispánovity , Stefanos Papanikolaou , István Groma

We study the well-posedness of the vector-field Peierls-Nabarro model for curved dislocations with a double well potential and a bi-states limit at far field. Using the Dirichlet to Neumann map, the 3D Peierls-Nabarro model is reduced to a…

Analysis of PDEs · Mathematics 2022-11-08 Hongjie Dong , Yuan Gao

The stability problem for the 2D Navier-Stokes equations with dissipation in only one direction on $\mathbb R^2$ is not fully understood. This dissipation is in the intermediate regime between the fully dissipative Navier-Stokes and the…

Analysis of PDEs · Mathematics 2026-04-22 Zhibin Wang , Jiahong Wu , Ning Zhu

We investigate the T(3)-gauge theory of static dislocations in continuous solids. We use the most general linear constitutive relations bilinear in the elastic distortion tensor and dislocation density tensor for the force and pseudomoment…

Materials Science · Physics 2009-11-13 Markus Lazar , Charalampos Anastassiadis