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Equilibrium thermodynamic fluctuations in model liquids | | Ulf R. Pedersen
; Nicholas Bailey
; Thomas B. Schrøder
; Jeppe C. Dyre
; | | Date: |
6 Feb 2007 | | Subject: | Statistical Mechanics | | Abstract: | The Lennard-Jones liquid exhibits significant correlations between virial and potential-energy equilibrium fluctuations when simulated at constant volume and temperature. The correlation coefficient exceeds 0.9 for most densities and temperatures studied. Similar results are found for a number of other liquids with pair-wise interactions as well as for a simple diatomic liquid. No strong correlations are found for methanol or water (liquids with hydrogen bonding). Virial-energy correlations acquire particular significance for the thermoviscoelasticity of highly viscous liquids approaching the glass transition, where for liquids with spherically symmetric pair potentials an approximate proportionality is implied between the imaginary parts of three frequency-dependent thermoviscoelastic linear-response functions. | | Source: | arXiv, cond-mat/0702146 | | Services: | Forum | Review | PDF | Favorites | |
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