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Equilibrium fluid-solid coexistence of hard spheres.
MedLine Citation:
PMID:  22680734     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
We present a tethered Monte Carlo simulation of the crystallization of hard spheres. Our method boosts the traditional umbrella sampling to the point of making practical the study of constrained Gibbs' free energies depending on several crystalline order parameters. We obtain high-accuracy estimates of the fluid-crystal coexistence pressure for up to 2916 particles (enough to accommodate fluid-solid interfaces). We are able to extrapolate to infinite volume the coexistence pressure [p_{co}=11.5727(10)k_{B}T/σ^{3}] and the interfacial free energy [γ_{{100}}=0.636(11)k_{B}T/σ^{2}].
Authors:
L A Fernández; V Martín-Mayor; B Seoane; P Verrocchio
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Publication Detail:
Type:  Journal Article     Date:  2012-04-16
Journal Detail:
Title:  Physical review letters     Volume:  108     ISSN:  1079-7114     ISO Abbreviation:  Phys. Rev. Lett.     Publication Date:  2012 Apr 
Date Detail:
Created Date:  2012-06-11     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  0401141     Medline TA:  Phys Rev Lett     Country:  United States    
Other Details:
Languages:  eng     Pagination:  165701     Citation Subset:  IM    
Affiliation:
Departamento de Física Teórica I, Universidad Complutense, 28040 Madrid, Spain and Instituto de Biocomputación y Física de Sistemas Complejos (BIFI), Spain.
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