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We use ab initio static relaxation methods and semi-empirical molecular-dynamics simulations to investigate the energetics and dynamics of the diffusion of adatoms, dimers, and vacancies on Cu(100). It is found that the dynamical energy…

Materials Science · Physics 2009-10-30 Ghyslain Boisvert , Laurent J. Lewis

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

Although continuum theory has been widely used to describe the long-range elastic behavior of dislocations, it is limited in its ability to describe mechanical behaviors that occur near dislocation cores. This limit of the continuum theory…

Materials Science · Physics 2020-10-28 Soon Kim , Keonwook Kang , Sung Youb Kim

Shape asymmetry is the most abundant in nature and attracted great interest in recent research. The phenomenon is widely recognized: a free ellipsoidal Brownian particle displays anisotropic diffusion during short time intervals, which…

Soft Condensed Matter · Physics 2025-01-10 Sudipta Mandal , Anirban Ghosh

Individual chemically active drops suspended in a surfactant solution were observed to self-propel spontaneously with straight, helical, or chaotic trajectories. To elucidate how these drops can exhibit such strikingly different dynamics…

Fluid Dynamics · Physics 2019-02-20 Matvey Morozov , Sebastien Michelin

In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…

Materials Science · Physics 2014-05-30 Luis G. V. Gonçalves , José P. Rino

Some experiments have witnessed increasing decoupling of viscosity from the translational self-diffusion of supercooled water with decreasing temperature. While theory and computer simulation studies indicated the jump translation of the…

Chemical Physics · Physics 2018-10-10 Shivam Dueby , Vikas Dubey , Snehasis Daschakraborty

Although glassy relaxation is typically associated with disorder, here we report on a new type of glassy dynamics relating to dislocations within 2-D crystals of colloidal dimers. Previous studies have demonstrated that dislocation motion…

Soft Condensed Matter · Physics 2010-08-12 Sharon J. Gerbode , Umang Agarwal , Desmond C. Ong , Chekesha M. Liddell , Fernando Escobedo , Itai Cohen

We derive a continuum-level plasticity model for polycrystalline materials in the high energy density regime, based on a single dislocation density and single mobility mechanism, with an evolution model for the dislocation density. The…

Dipole-conserving fluids serve as examples of kinematically constrained systems that can be understood on the basis of symmetry. They are known to display various exotic features including glassylike dynamics, subdiffusive transport, and…

Strongly Correlated Electrons · Physics 2023-04-18 Aleksander Głódkowski , Francisco Peña-Benítez , Piotr Surówka

Most classical work on the hydrodynamics of low-Reynolds-number swimming addresses deterministic locomotion in quiescent environments. Thermal fluctuations in fluids are known to lead to a Brownian loss of the swimming direction. As most…

Fluid Dynamics · Physics 2014-06-18 Mario Sandoval , Navaneeth K. M. , Ganesh Subramanian , Eric Lauga

Using a recently developed continuum theory of dislocation dynamics, we derive three new predictions about plasticity and grain boundary formation in crystals. (1) There will be a residual stress jump across grain boundaries and…

Disordered Systems and Neural Networks · Physics 2007-05-23 Surachate Limkumnerd James P. Sethna

The nonlinear decay of oscillations of a liquid column in a U-shaped tube is investigated within the theoretical framework of the projection method formalized by Bongarzone et al. (2021) [1]. Starting from the full hydrodynamic system…

Fluid Dynamics · Physics 2023-11-17 Alessandro Bongarzone , François Gallaire

The spontaneous creation of disclinations is a defining characteristic of active nematics, which is rarely observed in equilibrium systems or other active matter systems. Thus, understanding the mechanics of disclinations is crucial for…

Soft Condensed Matter · Physics 2025-07-01 Yingyou Ma , Christopher Amey , Aparna Baskaran , Michael F. Hagan

Crystal plasticity is the result of the motion and interaction of dislocations. There is, however, still a major gap between microscopic and mesoscopic simulations and continuum crystal plasticity models. Only recently a higher dimensional…

Materials Science · Physics 2010-10-15 Thomas Hochrainer , Michael Zaiser , Peter Gumbsch

We numerically study the effect of an active turbulent environment on a passive deformable droplet. The system is simulated using coupled hydrodynamic and nematodynamic equations for nematic liquid crystals with an active stress which is…

Soft Condensed Matter · Physics 2024-05-06 Chamkor Singh , Abhishek Chaudhuri

A novel explanation of the quasielastic release phenomenon in shock compressed aluminum is presented. A dislocation-based model, taking into account dislocation substructures and evolution, is applied to simulate the elastic plastic…

Materials Science · Physics 2017-02-01 Song-Lin Yao , Xiao-Yang Pei , Ji-Dong Yu , Jing-Song Bai , Qiang Wu

Dislocation systems exhibit well known scaling properties such as the Taylor relationship between flow stress and dislocation density, and the "law of similitude" linking the flow stress to the characteristic wavelength of dislocation…

Materials Science · Physics 2015-06-19 Michael Zaiser , Stefan Sandfeld

The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…

Pattern Formation and Solitons · Physics 2007-05-23 B. V. Petukhov

Continuum dislocation dynamics (CDD) represents the evolution of systems of curved and connected dislocation lines in terms of density-like field variables which include the volume density of loops (or 'curvature density') as an additional…

Materials Science · Physics 2023-01-04 Xi Luo , Michael Zaiser
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