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In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

Materials Science · Physics 2009-11-07 A. M. Cuitino , L. Stainier , G. Wang , A. Strachan , T. Cagin , W. A. Goddard , M. Ortiz

Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…

Materials Science · Physics 2025-10-01 Afonso D. M. Barroso , Elijah Borodin , Andrey P. Jivkov

The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…

Materials Science · Physics 2026-01-28 DeAn Wei , Michael Zaiser , Jing Tang , Xu Zhang

Whereas disclination defects are energetically prohibitive in two-dimensional flat crystals, their existence is necessary in crystals with spherical topology, such as viral capsids, colloidosomes or fullerenes. Such a geometrical…

Soft Condensed Matter · Physics 2020-07-01 Ireth García-Aguilar , Piermarco Fonda , Luca Giomi

This chapter reviews the different methodological aspects of the ab ini-tio modeling of dislocations. Such simulations are now frequently used to study the dislocation core, i.e. the region in the immediate vicinity of the line defect where…

Materials Science · Physics 2019-01-08 Emmanuel Clouet

In the Cu Cr system, the formation of supersaturated solid solutions can be obtained by severe plastic deformation. Energy dispersive synchrotron diffraction measurements on as deformed Cu Cr samples as a function of the applied strain…

Unlike the tensile mode, compressive deformation of a bcc metallic nanostructure is mediated by the glide of screw dislocation. Although the bcc screw dislocations are well known to possess unusual attributes, it is still unclear how these…

Materials Science · Physics 2016-08-04 Amlan Dutta

Plastic deformation is mediated by the creation and movement of dislocations, and at high stress the latter is dominated by dislocation drag from phonon wind. By simulating a 1-D shock impact problem we analyze the importance of accurately…

Materials Science · Physics 2021-06-15 Daniel N. Blaschke , Darby J. Luscher

A recent study demonstrated that granular crystals containing a single dislocation exhibit dislocation glide analogous to that observed in atomic-scale crystals, resulting in plastic deformation at yield stresses several orders of magnitude…

Soft Condensed Matter · Physics 2026-05-26 Fumiaki Nakai , Takashi Uneyama , Yuto Sasaki , Kiwamu Yoshii , Hiroaki Katsuragi

In small-scale metallic systems, collective dislocation activity has been correlated with size effects in strength and with a step-like plastic response under uniaxial compression and tension. Yielding and plastic flow in these samples is…

Materials Science · Physics 2019-07-18 Xiaoyue Ni , Stefanos Papanikolaou , Gabriele Vajente , Rana X Adhikari , Julia R. Greer

Plastic deformation, at all strain rates, is accommodated by the collective motion of crystalline defects known as dislocations. Here, we extend an analysis for the energetic stability of a straight dislocation, the so-called line tension…

Materials Science · Physics 2018-08-29 Daniel N. Blaschke , Benjamin A. Szajewski

We propose a numerical model to study the viscoplastic deformation of ice single crystals. We consider long-range elastic interactions among dislocations, the possibility of mutual annihilation, and a multiplication mechanism representing…

Statistical Mechanics · Physics 2007-05-23 M. -Carmen Miguel , Alessandro Vespignani , Stefano Zapperi , Jerome Weiss , Jean-Robert Grasso

Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…

Materials Science · Physics 2020-08-19 Henri Salmenjoki , Arttu Lehtinen , Lasse Laurson , Mikko J. Alava

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

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical…

Soft Condensed Matter · Physics 2016-10-05 Daniel A. Beller , David R. Nelson

We study avenues to shape multistability and shape-morphing in flexible crystalline membranes of cylindrical topology, enabled by glide mobility of dislocations. Using computational modeling, we obtain states of mechanical equilibrium…

Soft Condensed Matter · Physics 2022-03-23 Andrei Zakharov , Daniel A. Beller

Plastic deformations in crystals often produce textures in the form of randomly oriented patches of the unstressed lattice. We use a novel mesoscopic Landau-type model of crystal plasticity to show that in such textures large…

Mesoscale and Nanoscale Physics · Physics 2023-02-27 R. Baggio , O. U. Salman , L. Truskinovsky

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication…

Soft Condensed Matter · Physics 2018-01-31 Luca Gagliardi , Olivier Pierre-Louis

Traditionally, the deformation of continuum is divided into elastic, plastic, and flow. For a large deformation with cracking, they are combined together. So, for complicated deformation, a formulation to express the evolution of…

Classical Physics · Physics 2007-05-23 Jianhua Xiao

Microcrystals deform very differently from their macroscopic counterparts, displaying a size-dependent yield stress and intermittent plastic strain bursts. Here we demonstrate that size effects and strain bursts may be just two different…

Materials Science · Physics 2012-04-04 Valentina Beato , Michael Zaiser , Stefano Zapperi
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