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Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the…

Soft Condensed Matter · Physics 2010-05-04 Hayato Shiba , Akira Onuki

We conduct dislocation dynamics (DD) simulations of Fe periodic single crystals under tensile load at several high strain rates and temperatures. The simulations are enabled by the recent development of temperature-dependent dislocation…

Materials Science · Physics 2013-11-26 Meijie Tang , Jaime Marian

The intersection between dislocations and a Ag(111) surface has been studied using an interplay of scanning tunneling microscopy (STM) and molecular dynamics (MD). Whereas the STM provides atomically resolved information about the surface…

A numerical model is used to simulate rheometer experiments at constant normal stress on dense suspensions of spheres. The complete model includes sphere-sphere contacts using a soft contact approach, short range hydrodynamic interactions…

Soft Condensed Matter · Physics 2015-04-15 Donia Marzougui , Bruno Chareyre , Julien Chauchat

A field theory is developed for a thermodynamical description of array of parallel non-singular screw dislocations in elastic cylinder. The partition function of the system is considered in the functional integral form. Self-energy of the…

Materials Science · Physics 2015-05-30 C. Malyshev

Dislocations in soft condensed matter systems such as lamellar systems of polymers, liquid crystals and ternary mixtures of oil, water and surfactant (amphiphilic systems) are described in the framework of continuum elastic theory. These…

Condensed Matter · Physics 2015-06-25 R. Holyst , P. Oswald

The shear-transformation-zone (STZ) theory of plastic deformation predicts that sufficiently soft, non-crystalline solids are linearly unstable against forming periodic arrays of microstructural shear bands. A limited nonlinear analysis…

Materials Science · Physics 2009-11-07 J. S. Langer

Monodisperse suspensions of Brownian colloidal spheres crystallize at high densities, and ordering under shear has been observed at densities below the crystallization threshold. We perform large-scale simulations of a model suspension…

Soft Condensed Matter · Physics 2022-12-02 Abhay Goyal , Emanuela Del Gado , Scott Z Jones , Nicos S Martys

We model within the framework of finite elasticity two inherent instabilities observed in liquid crystal elastomers under uniaxial tension. First is necking which occurs when a material sample suddenly elongates more in a small region where…

Soft Condensed Matter · Physics 2024-10-15 Rabin Poudel , Yasemin Sengul , L. Angela Mihai

Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya

We present a dislocation density-based strain hardening model for single crystal copper through a systematic coarse-graining analysis of more than 200 discrete dislocation dynamics (DDD) simulations of plastic deformation under uniaxial…

Materials Science · Physics 2020-10-28 Sh. Akhondzadeh , Ryan B. Sills , Nicolas Bertin , Wei Cai

We performed a series of molecular dynamics simulations on monodisperse polymer melts to investigate the formation of shear banding. Under high shear rates, shear banding occurs, which is accompanied with the entanglement heterogeneity…

Soft Condensed Matter · Physics 2023-09-19 Fan Peng , Renkuan Cao , Cui Nie , Tingyu Xu , Liangbin Li

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

Crystalline bilayers of charged colloidal suspensions which are confined between two parallel plates and sheared via a relative motion of the two plates are studied by extensive Brownian dynamics computer simulations. The charge-stabilized…

Soft Condensed Matter · Physics 2007-05-23 René Messina , Hartmut Löwen

Slip avalanches are ubiquitous phenomena occurring in 3D materials under shear strain and their study contributes immensely to our understanding of plastic deformation, fragmentation, and earthquakes. So far, little is known about the role…

Mesoscale and Nanoscale Physics · Physics 2023-06-23 Jing Liang , Dongyang Yang , Yunhuan Xiao , Sean Chen , Jerry I. Dadap , Joerg Rottler , Ziliang Ye

In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent)…

Materials Science · Physics 2018-04-06 D. V. Berkov , N. L. Gorn

In this paper, we present a 2D numerical model developed to simulate the dynamics of soft, deformable particles. To accommodate significant particle deformations, the particle surface is represented as a narrow shell composed of mass points…

Computational Physics · Physics 2025-04-01 Yohann Trivino , Vincent Richefeu , Farhang Radjai , Komlanvi Lampoh , Jean-Yves Delenne

The interaction of screw dislocations with an applied stress is studied using atomistic simulations in conjunction with a continuum treatment of the role played by the far field boundary condition. A finite cell of atoms is used to consider…

Materials Science · Physics 2009-10-28 Vijay B. Shenoy , Rob Phillips

The effect of periodic shear on strain localization in disordered solids is investigated using molecular dynamics simulations. We consider a binary mixture of one million atoms annealed to a low temperature with different cooling rates and…

Soft Condensed Matter · Physics 2022-09-30 Nikolai V. Priezjev

We develop a long-time moving window framework using Molecular Dynamics (MD) to model shock wave propagation through a one-dimensional chain of atoms. The domain is divided into a purely atomistic "window" region containing the shock wave…

Computational Physics · Physics 2020-08-06 Alexander Davis , Vinamra Agrawal