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Title: The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations.
Authors: Davidchack, Ruslan L.
Morris, James R.
Laird, Brian B.
First Published: 5-Sep-2006
Publisher: American Institute of Physics (AIP)
Citation: Journal of Chemical Physics, 2006, 125 (9), 4710.
Abstract: We have calculated the interfacial free energy for the hard-sphere system, as a function of crystal interface orientation, using a method that examines the fluctuations in the height of the interface during molecular dynamics simulations. The approach is particularly sensitive for the anisotropy of the interfacial free energy. We find an average interfacial free energy of gamma=0.56+/-0.02k(B)Tsigma(-2). This value is lower than earlier results based upon direct calculations of the free energy [R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. 85, 4751 (2000)]. However, both the average value and the anisotropy agree with the recent values obtained by extrapolation from direct calculations for a series of the inverse-power potentials [R. L. Davidchack and B. B. Laird, Phys. Rev. Lett. 94, 086102 (2005)].
DOI Link: 10.1063/1.2338303
ISSN: 0021-9606
eISSN: 1089-7690
Version: Publisher Version
Status: Peer-reviewed
Type: Journal Article
Rights: Copyright 2006 American Institute of Physics. Deposited with reference to the publisher's archiving policy available from the SHERPA/RoMEO website. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, 2006, 125 (9), 4710 and may be found at
Appears in Collections:Published Articles, Dept. of Mathematics

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