Computer simulation and mode-coupling theory analysis of time-dependent diffusion in two dimensional Lennard–Jones fluids

2000 ◽  
Vol 266 (4-6) ◽  
pp. 394-399 ◽  
Author(s):  
Sarika Bhattacharyya ◽  
Goundla Srinivas ◽  
Biman Bagchi
Keyword(s):  
Computer Simulation ◽  
Mode Coupling ◽  
Time Dependent ◽  
Two Dimensional ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Theory Analysis ◽  
Lennard Jones

A mode coupling theory analysis of viscoelasticity near the kinetic glass transition of a copolymer micellar system

2004 ◽  
Vol 16 (42) ◽  
pp. S4975-S4986 ◽  
Author(s):  
Francesco Mallamace ◽  
Piero Tartaglia ◽  
Wei Ren Chen ◽  
Antonio Faraone ◽  
Sow Hsin Chen
Keyword(s):  
Glass Transition ◽  
Mode Coupling ◽  
Micellar System ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Theory Analysis

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

1996 ◽  
Vol 455 ◽  
Author(s):  
Walter Kob ◽  
Markus Nauroth
Keyword(s):  
Mode Coupling ◽  
Diffusion Constant ◽  
Qualitative Description ◽  
Simple Liquid ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Lennard Jones ◽  
Intermediate Scattering Function ◽  
Coupling Equations ◽  
Critical Amplitudes

We present the results of a molecular dynamics computer simulation of a supercooled binary Lennard-Jones mixture. By investigating the temperature dependence of the diffusion constant and of the intermediate scattering function, we show that the ideal version of the mode-coupling theory of the glass transition is able to give a good qualitative description of the dynamics of this system. Using the partial structure factors, as determined from the simulation, as input, we solve the mode-coupling equations in the long time limit. From the comparison of the prediction of the theory for the critical temperature, the exponent parameter, the wave-vector dependence of the nonergodicity parameters and the critical amplitudes with the results of the simulation, we conclude that the theory is also able to predict correctly the non-universal properties of the dynamics of a supercooled simple liquid.

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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