Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

9-2006

Journal or Book Title

Physical Review E

Volume

74

Issue

3

First Page

1

Last Page

4

DOI

10.1103/PhysRevE.74.031611

Abstract

The crystal-melt interfacial free energies of different crystal orientations and crystal forms for the hard-dumbbell systems have been calculated directly using a multistep thermodynamic perturbation method via nonequilibrium work measurements with a cleaving procedure. We found that for the plastic crystal phase, the interfacial free energies decrease as the reduced bond length L∗ increases and the anisotropy is very weak as in isotropic systems. On the other hand, for the orientationally ordered crystal phase, the interfacial free energies become more than three times larger and the anisotropy is about 13%. These results may have significant implications for our understanding on the nucleation kinetics in molecular systems and the search of optimal conditions of protein crystallization.

Comments

This article is from Physical Review E 74 (2006): 031511, doi:10.1103/PhysRevE.74.031611. Posted with permission.

Copyright Owner

American Physical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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