scholarly journals On the Bauschinger effect in supercooled melts under shear: Results from mode coupling theory and molecular dynamics simulations

2013 ◽  
Vol 138 (12) ◽  
pp. 12A513 ◽  
Author(s):  
Fabian Frahsa ◽  
Amit Kumar Bhattacharjee ◽  
Jürgen Horbach ◽  
Matthias Fuchs ◽  
Thomas Voigtmann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Mode Coupling ◽  
Bauschinger Effect ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Dynamics Simulations

scholarly journals Hard discs under steady shear: comparison of Brownian dynamics simulations and mode coupling theory

2009 ◽  
Vol 367 (1909) ◽  
pp. 5033-5050 ◽  
Author(s):  
Oliver Henrich ◽  
Fabian Weysser ◽  
Michael E. Cates ◽  
Matthias Fuchs
Keyword(s):  
Brownian Dynamics ◽  
Mode Coupling ◽  
Transition Density ◽  
Two Dimensions ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Stationary Structure ◽  
Homogeneous Shear Flow ◽  
Dynamics Simulations ◽  
Brownian Dynamics Simulations

Brownian dynamics simulations of bidisperse hard discs moving in two dimensions in a given steady and homogeneous shear flow are presented close to and above the glass transition density. The stationary structure functions and stresses of shear-melted glass are compared quantitatively to parameter-free numerical calculations of monodisperse hard discs using mode coupling theory within the integration through transients framework. Theory qualitatively explains the properties of the yielding glass but quantitatively overestimates the shear-driven stresses and structural anisotropies.

Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory

1997 ◽  
Vol 126 ◽  
pp. 35-42 ◽  
Author(s):  
Walter Kob ◽  
Markus Nauroth ◽  
Hans C. Andersen
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulations ◽  
Low Temperatures ◽  
Mode Coupling ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Qualitative And Quantitative ◽  
Lennard Jones ◽  
Coupling Equations ◽  
Universal Properties

Using molecular dynamics computer simulations, we investigate the dynamics of a binary Lennard-Jones system at low temperatures. We show that this dynamics can be described well by mode-coupling theory. By solving numerically the mode-coupling equations for this system, we demonstrate that the theory is not only able to correctly predict the universal properties of this dynamics but also the nonuniversal properties.

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