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We describe a molecular dynamics framework for the direct calculation of the short-ranged structural forces underlying grain-boundary premelting and grain-coalescence in solidification. The method is applied in a comparative study of (i) a…

Materials Science · Physics 2015-05-14 Saryu Fensin , David Olmsted , Dorel Buta , Mark Asta , Alain Karma , J. J. Hoyt

We review the continuous theory of dislocations from a mathematical point of view using mathematical tools, which were only partly available when the theory was developed several decades ago. We define a space of dislocation measures, which…

Analysis of PDEs · Mathematics 2013-09-05 Hans-Dieter Alber

As a guide to constitutive specification, driving forces for dislocation velocity and nucleation rates are derived for a field theory of dislocation mechanics. A condition of closure for the theory in the form of a boundary condition for…

Materials Science · Physics 2016-08-31 Amit Acharya

We discuss the modelling of grain boundary dynamics within an amplitude equations description, which is derived from classical density functional theory or the phase field crystal model. The relation between the conditions for periodicity…

The grain boundary (GB) mobility relates GB velocity to the thermodynamic driving forces and is central to our understanding of microstructure evolution in polycrystals. Recent molecular dynamics (MD) and experimental studies have shown…

Materials Science · Physics 2020-11-18 Kongtao Chen , Jian Han , David J. Srolovitz

Coupled grain boundary (GB) motion has been studied in a two-dimensional tricrystal where a cylindrical grain is embedded at the center of the planar GB of a large bicrystal. Kinetic relations for GB dynamics, grain orientations, and…

Materials Science · Physics 2014-07-15 Anup Basak , Anurag Gupta

We present an experimental study of the compaction dynamics for two-dimensional anisotropic granular systems. Compaction dynamics is measured at three different scales : (i) the macroscopic scale through the packing fraction $\rho$, (ii)…

Disordered Systems and Neural Networks · Physics 2009-11-11 G. Lumay , N. Vandewalle

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

In this paper, we develop a mean-field model for simulating the microstructure evolution of crystalline materials during static recrystallization. The model considers a population of individual cells (i.e. grains and subgrains) growing in a…

Materials Science · Physics 2020-05-18 Arthur Després , Michael Greenwood , Chad Sinclair

Dislocation and grain boundary melting are studied in three dimensions using the Phase Field Crystal method. Isolated dislocations are found to melt radially outward from their core, as the localized excess elastic energy drives a power law…

Materials Science · Physics 2009-11-13 Joel Berry , K. R. Elder , Martin Grant

Granular systems present surprisingly complicated dynamics. In particular, nonlinear interactions and energy dissipation play important roles in these dynamics. Usually, constant coefficients of restitution are introduced phenomenologically…

Soft Condensed Matter · Physics 2014-08-29 Italo'Ivo Lima Dias Pinto , Alexandre Rosas , Katja Lindenberg

Coarse-grained descriptions of dislocation motion in crystalline metals inherently represent a loss of information regarding dislocation-dislocation interactions. In the present work, we consider a coarse-graining framework capable of…

Materials Science · Physics 2020-12-21 Joseph Anderson , Anter El-Azab

We consider the roughening of small angle grain boundaries consisting of arrays of dislocations and found two transitions, corresponding to fluctuations of the dislocations along and perpendicular to the boundaries. The latter contributes…

Other Condensed Matter · Physics 2015-05-13 S. T. Chui

We study the effect of an externally imposed oscillatory shear on the motion of a grain boundary that separates differently oriented domains of the lamellar phase of a diblock copolymer. A direct numerical solution of the Swift-Hohenberg…

Soft Condensed Matter · Physics 2009-11-10 Zhi-Feng Huang , Jorge Vinals

To develop a dislocation-based statistical continuum theory of crystal plasticity is a major challenge of materials science.During the last two decades such a theory has been developed for the time evolution of a system of parallel edge…

Materials Science · Physics 2021-05-12 István Groma , Péter Dusán Ispánovity , Thomas Hochrainer

Twist grain boundaries are widely observed in lamellar phases of block copolymers. A mesoscopic model of the copolymer is used to obtain stationary configurations that include a twist grain boundary, and to analyze their stability against…

Soft Condensed Matter · Physics 2008-04-15 Xusheng Zhang , Zhi-Feng Huang , Jorge Viñals

Dislocation dynamics simulation is used to investigate the effect of grain size and grain shape on the flow stress in model copper grains. We consider grains of 1.25-10 $\mu$m size, three orientations (<135>, <100> and <111>) and three…

Materials Science · Physics 2019-03-06 Maoyuan Jiang , Benoit Devincre , Ghiath Monnet

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

Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…

Materials Science · Physics 2022-04-06 Fabio D. A. Aarão Reis , Bastien Marguet , Olivier Pierre-Louis

The continuum mechanics of line defects representing singularities due to terminating discontinuities of the elastic displacement and its gradient field is developed. The development is intended for application to coupled phase…

Materials Science · Physics 2016-03-09 Amit Acharya , Claude Fressenegeas
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