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Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali

We study segregation and stratification of mixtures of grains differing in size, shape and material properties poured in two-dimensional silos using a microscopic lattice model for surface flows of grains. The model incorporates the…

Statistical Mechanics · Physics 2009-10-31 Hernan A. Makse , Hans J. Herrmann

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

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

We describe numerical solutions of two non potential models of pattern formation in nonequilibrium systems to address the motion and decay of grain boundaries separating domains of stripe configurations of different orientations. We first…

Soft Condensed Matter · Physics 2009-11-11 Zhi-Feng Huang , Jorge Vinals

A Phenomenological Mesoscopic Field Dislocation Mechanics (PMFDM) model is developed, extending continuum plasticity theory for studying initial-boundary value problems of small-scale plasticity. PMFDM results from an elementary space-time…

Materials Science · Physics 2016-08-31 Amit Acharya , Anish Roy

Grain boundary (GB) energy is a fundamental property that affects the form of grain boundary and plays an important role to unveil the behavior of polycrystalline materials. With a better understanding of grain boundary energy distribution…

Computational Physics · Physics 2020-02-04 Haoyu Wang , Srikanth Patala , Brian J. Reich

In the limit of vanishing lattice spacing we provide a rigorous variational coarse-graining result for a next-to-nearest neighbor lattice model of a simple crystal. We show that the $\Gamma$-limit of suitable scaled versions of the model…

Analysis of PDEs · Mathematics 2024-07-08 Annika Bach , Marco Cicalese , Adriana Garroni , Gianluca Orlando

High energy x-ray diffraction microscopy was used to image the microstructure of $\alpha$-Fe before and after a 600 $^\circ$C anneal. These data were used to determine the areas, curvatures, energies, and velocities of approximately 40,000…

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

Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…

Materials Science · Physics 2021-04-13 Yinguang Piao , Khanh Chau Le

In this paper we analyse the behaviour of a pile-up of vertically periodic walls of edge dislocations at an obstacle, represented by a locked dislocation wall. Starting from a continuum non-local energy $E_\gamma$ modelling the…

Analysis of PDEs · Mathematics 2016-06-07 Adriana Garroni , Patrick van Meurs , Mark Peletier , Lucia Scardia

We present a unified framework for the calculation of defect energies for those defects that can be represented as a superposition of isolated dislocations, and obtain both self and interaction energies of combinations of grain boundaries…

Materials Science · Physics 2007-05-23 J. M. Rickman , J. Vinals , R. LeSar

The dislocation core is an important region as it controls many important properties of materials. Elasticity breaks down in the core and the stress, force, and energy diverge at the dislocation line. We consider three commonest methods…

Materials Science · Physics 2020-11-11 Kamyar M Davoudi

We study pattern formation in a compressed elastic film which delaminates from a substrate. Our key tool is the determination of rigorous upper and lower bounds on the minimum value of a suitable energy functional. The energy consists of…

Analysis of PDEs · Mathematics 2019-12-13 David P. Bourne , Sergio Conti , Stefan Müller

Damage nucleation from repeated dislocation absorption at a grain boundary is simulated with molecular dynamics. At the grain boundary-dislocation intersection site, atomic shuffling events determine how the free volume brought by the…

Materials Science · Physics 2014-08-26 Zhiliang Pan , Timothy J. Rupert

Some remarkable generic properties, related to isostaticity and potential energy minimization, of equilibrium configurations of assemblies of rigid, frictionless grains are studied. Isostaticity -the uniqueness of the forces, once the list…

Soft Condensed Matter · Physics 2009-10-31 Jean-Noel Roux

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

We explore the possibilities of using energy minimization for the numerical modeling of strain localization in solids as a sharp discontinuity in the displacement field. For this purpose, we consider (regularized) strong discontinuity…

Machine Learning · Computer Science 2025-01-14 Omar León , Víctor Rivera , Angel Vázquez-Patiño , Jacinto Ulloa , Esteban Samaniego

Progress toward a first-principles theory of plasticity and work-hardening is currently impeded by an insufficient picture of dislocation kinetics (the dynamic effect of driving forces in a given dislocation theory). This is because present…

Materials Science · Physics 2024-02-13 Joseph Pierre Anderson , Anter El-Azab