Analysis of the incoherent intermediate scattering function in the framework of the idealized mode-coupling theory: A Monte Carlo study for polymer melts

1994 ◽  
Vol 49 (1) ◽  
pp. 135-146 ◽  
Author(s):  
Jörg Baschnagel
Keyword(s):  
Monte Carlo ◽  
Mode Coupling ◽  
Polymer Melts ◽  
Monte Carlo Study ◽  
Coupling Theory ◽  
Mode Coupling Theory ◽  
Scattering Function ◽  
Intermediate Scattering Function

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.

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