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The computational method of discrete dislocation dynamics (DDD), used as a coarse-grained model of true atomistic dynamics of lattice dislocations, has become of powerful tool to study metal plasticity arising from the collective behavior…

Materials Science · Physics 2023-09-27 Nicolas Bertin , Vasily V. Bulatov , Fei Zhou

Dislocations are the main carriers of the permanent deformation of crystals. For simulations of engineering applications, continuum models where material microstructures are represented by continuous density distributions of dislocations…

Materials Science · Physics 2018-03-02 Xiaohua Niu , Yichao Zhu , Shuyang Dai , Yang Xiang

We develop a fully coupled theoretical description of dislocation dynamics on deformable crystalline surfaces, using continuum modeling and the amplitude-phase-field crystal (APFC) framework extended to curved geometries. We derive a…

Soft Condensed Matter · Physics 2026-02-17 Marcello De Donno , Luiza Angheluta , Marco Salvalaglio

The presence and evolution of defects that appear in the manufacturing process play a vital role in the failure mechanisms of engineering materials. In particular, the collective behavior of dislocation dynamics at the mesoscale leads to…

Materials Science · Physics 2022-05-13 Eduardo Augusto Barros de Moraes , Marta D'Elia , Mohsen Zayernouri

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport…

Materials Science · Physics 2021-02-09 Peng Lin , Vignesh Vivekanandan , Kyle Starkey , Benjamin Anglin , Clint Geller , Anter El-Azab

In this paper, we present an improved framework of the spectral-based Discrete Dislocation Dynamics (DDD) approach introduced in [1,2], that establishes a direct connection with the continuum Field Dislocation Mechanics (FDM) approach. To…

Computational Physics · Physics 2018-04-04 Nicolas Bertin

Because of the enormous range of time and space scales involved in dislocation dynamics, plastic modeling at macroscale requires a continuous formulation. In this paper, we present a rigorous formulation of the transition between the…

Materials Science · Physics 2016-06-22 P. L. Valdenaire , Y. Le Bouar , B. Appolaire , A. Finel

A three-dimensional continuum dislocation theory for single crystals containing curved dislocations is proposed. A set of governing equations and boundary conditions is derived for the true placement, plastic slips, and loop functions in…

Materials Science · Physics 2015-06-12 Khanh Chau Le

A two-dimensional (2D) dislocation continuum theory is being introduced. The present theory adds elastic rotation, dislocation density, and background stress to the classical energy density of elasticity. This theory contains four material…

Mesoscale and Nanoscale Physics · Physics 2015-10-15 Markus Lazar

Understanding the spontaneous emergence of dislocation patterns during plastic deformation is a long standing challenge in dislocation theory. During the past decades several phenomenological continuum models of dislocation patterning were…

Materials Science · Physics 2016-06-22 Istvan Groma , Michael Zaiser , Peter Dusan Ispanovity

In this paper a geometric field theory of dislocation dynamics and finite plasticity in single crystals is formulated. Starting from the multiplicative decomposition of the deformation gradient into elastic and plastic parts, we use…

Materials Science · Physics 2023-08-02 Fabio Sozio , Arash Yavari

In continuum models of dislocations, proper formulations of short-range elastic interactions of dislocations are crucial for capturing various types of dislocation patterns formed in crystalline materials. In this article, the continuum…

Materials Science · Physics 2016-08-12 Yichao Zhu , Xiaohua Niu , Yang Xiang

In this paper, starting from the microscopic dynamics of isolated dislocations, we explain how to derive formally mean field models for the dynamics of dislocation densities. Essentially these models are tranport equations, coupled with the…

Mathematical Physics · Physics 2009-01-16 Ahmad El Hajj , H. Ibrahim , Régis Monneau

Dissipative particle dynamics (DPD) belongs to a class of models and computational algorithms developed to address mesoscale problems in complex fluids and soft matter in general. It is based on the notion of particles that represent…

Statistical Mechanics · Physics 2017-05-24 Pep Español , Patrick B Warren

In this study, we use discrete dislocation dynamics (DDD) simulation to investigate the effect of heterogeneous dislocation density on the transition between quasi-elastic deformation and plastic flow in face-centered cubic single crystals.…

Materials Science · Physics 2019-07-24 Xu Zhang , Jian Xiong , Haidong Fan , Michael Zaiser

We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Luchan Zhang , Yang Xiang

Viscoplastic flow of polycrystalline metallic materials is the result of motion and interaction of dislocations, line defects of the crystalline structure. In the microstructural (physics-based) constitutive model presented in this paper,…

Materials Science · Physics 2018-09-11 S. Amir H. Motaman , Ulrich Prahl

Dissipative particle dynamics (DPD) is a novel particle method for mesoscale modeling of complex fluids. DPD particles are often thought to represent packets of real atoms, and the physical scale probed in DPD models are determined by the…

Chemical Physics · Physics 2016-10-18 R. Qiao , P. He

Dissipative particle dynamics (DPD) is a well-established mesoscale simulation method. However, there have been long-standing ambiguities regarding the dependence of its (purely repulsive) force field parameter on temperature as well as the…

Chemical Physics · Physics 2019-02-25 Peter Vanya , Jonathan Sharman , James A. Elliott

The aim of this paper is to investigate the numerical implementation of the Field Dislocation Mechanics (FDM) theory for the simulation of dislocation-mediated plasticity. First, the mesoscale FDM theory of Acharya and Roy (2006) is…

Computational Engineering, Finance, and Science · Computer Science 2019-11-11 Léo Morin , Renald Brenner , Pierre Suquet