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Triple-point coexistence properties of the lennard-jones system

✍ Scribed by A.J.C. Ladd; L.V. Woodcock

Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
461 KB
Volume
51
Category
Article
ISSN
0009-2614

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✦ Synopsis

A molecular dynamics simulation of the three phases of the Lennard-Jones (12-6) system in coexistence is reported. The triple-point properties of a 1500-atom model are obtained and found to compare moderately well with the values obtained from bulk-phase Monte Carlo data by Hansen and Verlet. The density profile shows the fee crystal (1, 0, O)-liquid interface to be very diffuse, extending over several atomic diameters.

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