How a solid can be turned into a gas without passing through a first-order phase transformation
Resource
Physical Review E 51: R3795-R3798
Journal
Physical Review E
Journal Volume
51
Journal Issue
5
Date Issued
1995
Author(s)
Abstract
Recent calculations of the absolute free energy of a solid using molecular dynamics and Monte Carlo simulated data employ a ''thermodynamic'' path which is numerically indistinguishable from a path which connects a solid and an ideal gas. No first-order phase transition is observed on this path. We present an interpretation of this type of path, we identify a particular path along which the numerical uncertainty in calculating the free energy is minimized, and we report numerical studies on a Lennard-Jones system which support the surprising proposition that there is such a singularity-free path. © 1995 The American Physical Society.
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Type
journal article
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