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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

We propose an energy-consistent mathematical model for motion of dislocation curves in elastic materials using the idea of phase field model. This reveals a hidden gradient flow structure in the dislocation dynamics. The model is derived as…

Numerical Analysis · Mathematics 2016-01-12 Vladimir Chalupecky , Masato Kimura

Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…

Materials Science · Physics 2015-06-16 Edwin J. Schwalbach , James A. Warren , Kuo-An Wu , Peter W. Voorhees

In this paper, we present a phase field model for the self-climb motion of prismatic dislocation loops via vacancy pipe diffusion driven by elastic interactions. This conserved dynamics model is developed under the framework of the…

Materials Science · Physics 2020-12-04 Xiaohua Niu , Yang Xiang , Xiaodong Yan

Dislocations are the carriers of plasticity in crystalline materials. Their collective interaction behavior is dependent on the strain rate and sample size. In small specimens, details of the nucleation process are of particular importance.…

Materials Science · Physics 2020-11-05 Jianqiao Hu , Hengxu Song , Zhanli Liu , Zhuo Zhuang , Xiaoming Liu , Stefan Sandfeld

In the present work, we propose a novel model coupling phase-field, dislocation density based plasticity and damage. The dislocation density governing equations are constructed based on evolutions of mobile and immobile dislocations.…

Materials Science · Physics 2021-12-28 Ronghai Wu , Yufan Zhang

Plastic deformation In crystalline materials is controlled by the motion and interactions of dislocations [AND 17]. Discrete Dislocation Dynamics (DDD) simulations have now existed for about 25 years to investigate plastic flow at the…

Materials Science · Physics 2020-01-07 Sylvain Queyreau

We propose a mesoscopic model that explains the factor of two to three discrepancy between experimentally measured yield stresses of BCC metals at low temperatures and typical Peierls stresses determined by atomistic simulations of isolated…

Materials Science · Physics 2009-11-11 R. Groger , V. Vitek

Phase field crystal (PFC) models constitute a field theoretical approach to solidification, melting and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain…

Materials Science · Physics 2015-06-18 V. Heinonen , C. V. Achim , K. R. Elder , S. Buyukdagli , T. Ala-Nissila

A new formulation of the Phase Field Crystal model is presented that is consistent with the necessary microscopic independence between the phase field, reflecting the broken symmetry of the phase, and both mass density and elastic…

Materials Science · Physics 2020-09-09 Amit Acharya , Jorge Viñals

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

Pattern Formation and Solitons · Physics 2007-05-23 B. V. Petukhov

We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…

Materials Science · Physics 2025-02-26 Lucas Benoit--Maréchal , Ingo Nitschke , Axel Voigt , Marco Salvalaglio

To study the nanoscopic interaction between edge dislocations and a phase boundary within a two-phase microstructure the effect of the phase contrast on the internal stress field due to the dislocations needs to be taken into account. For…

Materials Science · Physics 2019-09-04 F. Bormann , R. H. J. Peerlings , M. G. D. Geers , B. Svendsen

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

In this study, we present the first simulation results of the formation of dislocation cell wall microstructures in tantalum subjected to shock loading. Dislocation patterns and cell wall formation are important to understanding the…

Materials Science · Physics 2023-05-04 Jaehyun Cho , Luke L. Hsiung , Robert E. Rudd , Sylvie Aubry

The phase-field crystal (PFC) model describes crystal structures at diffusive timescales through a periodic, microscopic density field. It has been proposed to model elasticity in crystal growth and encodes most of the phenomenology related…

Materials Science · Physics 2025-01-23 Maik Punke , Marco Salvalaglio

This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…

Materials Science · Physics 2016-02-03 Matthew Seymour , Nikolas Provatas

We use the phase field crystal model to study nucleation of edge dislocations in two dimensions under an applied stress field. A dislocation dipole nucleates under the applied stress, consistent with Burgers vector conservation. The phase…

Materials Science · Physics 2021-01-20 Vidar Skogvoll , Audun Skaugen , Luiza Angheluta , Jorge Viñals

We study the sharp interface limit and well-posedness of a phase field model for self-climb of prismatic dislocation loops in periodic settings. The model is set up in a Cahn-Hilliard/Allen-Cahn framework featured with degenerate…

Analysis of PDEs · Mathematics 2023-02-09 Xiaohua Niu , Xiaodong Yan

Phase field crystal (PFC) models constitute central tools for a microscopic understanding of the dynamics of complex systems in soft matter physics. They have found widespread application in the modeling of the uniaxial orientational…

Soft Condensed Matter · Physics 2026-01-22 Anouar El Moumane , René Wittmann , Hartmut Löwen , Michael te Vrugt