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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

We map molecular dynamics simulations of fluid-fluid interfaces onto mesoscale continuum theories for partially miscible fluids. Unlike most previous work, we examine not only the interface order parameter and density profiles, but also the…

Soft Condensed Matter · Physics 2009-11-10 Colin Denniston , Mark O. Robbins

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

The viscoplastic deformation (creep) of crystalline materials under constant stress involves the motion of a large number of interacting dislocations. Analytical methods and sophisticated `dislocation-dynamics' simulations have proved very…

Statistical Mechanics · Physics 2009-11-07 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi , Jerome Weiss , Jean-Robert Grasso

A computational approach has been developed for the analysis of the properties of 3D dislocation substructures generated by the vector density continuum dislocation dynamics (CDD), within the framework of crystal plasticity. In the CDD…

Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…

Materials Science · Physics 2023-09-15 Ali Rida , Satish I. Rao , Jaafar A. El-Awady

Plastic deformation of crystals is a physical phenomenon, which has immensely driven the development of human civilisation since the onset of the Chalcolithic period. This process is primarily governed by the motion of line defects, called…

Materials Science · Physics 2009-07-15 A. Dutta , M. Bhattacharya , P. Mukherjee , N. Gayathri , G. C. Das , P. Barat

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…

Materials Science · Physics 2021-10-26 Junyan He , Nikhil Chandra Admal

Atomic diffusion affects the properties of various engineering materials, which predominantly occur in the polycrystalline state. A rigorous description of polycrystalline diffusion must therefore account for crystallographic defects,…

Materials Science · Physics 2025-10-21 Lena Scholz , Yongliang Ou , Blazej Grabowski , Felix Fritzen

Driven by the growing interest in numerical simulations of dislocation-interface interactions in general crystalline materials with elastic anisotropy, we develop algorithms for the integration of interface tractions needed to couple…

Materials Science · Physics 2016-06-22 Bing Liu , Athanasios Arsenlis , Sylvie Aubry

We present a simple model of the interface between a local homogeneous medium and a potentially nonlocal metamaterial/photonic crystal. This model allows us to calculate the scattering matrix elements of the interface for a plane wave of…

Materials Science · Physics 2012-06-18 Chris Fietz , Costas M. Soukoulis

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 a model to study the plasticity of ice single crystals by numerical simulations. The model includes the long-range character of the interaction among dislocations, as well as the possibility of mutual annihilation of these line…

Statistical Mechanics · Physics 2007-05-23 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi

Understanding contact between rough surfaces undergoing plastic deformation is crucial in many applications. We test Persson's multiscale contact mechanics theory for elastoplastic solids, assuming a constant penetration hardness. Using a…

Soft Condensed Matter · Physics 2026-01-07 Andreas Almqvist , Bo N. J. Persson

Accurately predicting friction in sliding interfaces that contain third body wear particles is critical for engineering applications such as sliding movement in pistons, bearings, or metal forming. We present a hierarchical multiscale…

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

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

Mesoscale objects with unusual structural features may serve as the analogues of atoms in the design of larger-scale materials with novel optical, electronic or mechanical behaviour. In this paper we investigate the structural features and…

Soft Condensed Matter · Physics 2007-05-23 Peter Lipowsky , Mark J. Bowick , Jan H. Meinke , David R. Nelson , Andreas R. Bausch

A boundary element formulation is developed to determine the complex stress intensity factors associated with cracks on the interface between dissimilar materials. This represents an extension of the methodology developed previously by the…

Computational Physics · Physics 2010-03-02 Ali R. Hadjesfandiari , Gary F. Dargush

A novel, concurrent multiscale approach to meso/macroscale plasticity is demonstrated. It utilizes a carefully designed coupling of a partial differential equation (pde) based theory of dislocation mediated crystal plasticity with…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Sabyasachi Chatterjee , Giacomo Po , Xiaohan Zhang , Amit Acharya , Nasr Ghoniem