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

Published online by Cambridge University Press:  10 February 2011

Walter Kob  and
Markus Nauroth
Walter Kob*
Affiliation:
Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany
Markus Nauroth
Affiliation:
Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany
*
[*]Electronic mail: kob@moses.physik.uni-mainz.dehttp://www.cond-mat.physik.uni-mainz.de/~kob/home_kob.html
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Abstract

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 455: Symposium T – Glasses and Glass Formers–Current Issues , 1996 , 59
Copyright
Copyright © Materials Research Society 1997

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References

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