Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture (Q4337849)

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scientific article; zbMATH DE number 1013797
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    Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture
    scientific article; zbMATH DE number 1013797

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      Testing mode-coupling theory for a supercooled binary Lennard-Jones mixture (English)
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      29 January 1998
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      alpha-relaxation
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      beta-relaxation
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      power-law behavior
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      von Schweidler exponent
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      constant of diffusion
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      molecular dynamics computer simulation
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      scattering function
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      master curve
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      time temperature superposition principle
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      van Hove correlation function
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      We have performed a molecular dynamics computer simulation study to investigate the dynamical behavior of a supercooled simple liquid for comparison with the predictions of mode-coupling theory (MCT). By scaling the intermediate scattering function by the \(\alpha\)-relaxation time \(\tau\) we find that the correlators fall onto a master curve extending over several decades in time. Thus we find that the time temperature superposition principle holds. In the late \(\beta\)-relaxation regime this master curve can be fitted very well by a master curve predicted by the idealized version MCT. We show that in the \(\beta\)-relaxation regime the van Hove correlation function obeys the factorization property. We conclude that the dynamical behavior at low temperatures of our system is essentially in agreement with MCT.
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