The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations
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Issue Date
2006-09-05Author
Davidchack, Ruslan L.
Morris, James R.
Laird, Brian Bostian
Publisher
American Institute of Physics
Type
Article
Article Version
Scholarly/refereed, publisher version
Metadata
Show full item recordAbstract
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 γ=0.56±0.02kBTσ−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)].
Description
This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/125/9/10.1063/1.2338303.
ISSN
0021-9606Collections
Citation
Davidchack, Ruslan L.; Morris, James R.; Laird, Brian B. (2006). "The anisotropic hard-sphere crystal-melt interfacial free energy from fluctuations." The Journal of Chemical Physics, 125(9):094710. http://dx.doi.org/10.1063/1.2338303
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