Thermodynamic Scaling of Diffusion in Supercooled Lennard-Jones Liquids
نویسندگان
چکیده
منابع مشابه
Thermodynamic scaling of diffusion in supercooled Lennard-Jones liquids.
The manner in which the intermolecular potential u(r) governs structural relaxation in liquids is a long standing problem in condensed matter physics. Herein, we show, in agreement with recent experimental results, that diffusion coefficients for simulated Lennard-Jones m-6 liquids (8 < or = m < or = 36) in normal and moderately supercooled states are a unique function of the variable rhogamma/...
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We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et al., Phys. Rev. Lett. 100, 015701 (2008)], the fluctuations in the two quantities are found to be strongly correlated, exhibiting a proportionality constant, Gamma, numerically equal to o...
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We present the results of a large scale molecular dynamics computer simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures and intermediate times the time dependence of the intermediate scattering function is well described by a von Schweidler law. The von Schweidler exponent is independent of temperature and depends only weakly on the type of correlator. For long times th...
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Walter Kob,1 Claudio Donati,2 Steven J. Plimpton,3 Peter H. Poole,4 and Sharon C. Glotzer2 1Institut für Physik, Johannes Gutenberg-Universität, Staudinger Weg 7, D-55099 Mainz, Germany 2Center for Theoretical and Computational Materials Science, and Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 3Parallel Computational Sciences Department, Sandi...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2008
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp710457e