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Nucleation of a sphere: the roles of curvature, confinement and ensemble [computer software] Open Access

Demonstrate and explain how the gas-to-liquid phase transition of colloidal systems confined to a spherical surface depends on the curvature and size of the surface, and on the choice of thermodynamic ensemble. We find that the geometry of the surface affects the shape of the free energy profile and the size of the critical nucleus by altering the perimeter-area ratio of isotropic clusters. Confinement to a smaller spherical surface results in both a lower nucleation barrier and a smaller critical nucleus size. Furthermore, the liquid domain does not grow indefinitely on a sphere. Saturation of the liquid density in the grand canonical ensemble and the depletion of the gas phase in the canonical ensemble lead to a minimum in the free energy profile, with a sharp increase in free energy for additional growth beyond this minimum.

Descriptions

Resource type
Software or Program Code
Contributors
Creator: Jack O. Law 1
Creator: Alex G. Wong 1
Creator: Halim Kusumaatmaja 1
Creator: Mark A. Miller 1
1 University of Durham, England
Funder
Engineering and Physical Sciences Research Council
Research methods
Other description
Keyword
Monte Carlo
Spheres
Subject
Monte Carlo method
Sphere
Location
Language
Cited in
Identifier
ark:/32150/r1jh343s29p
doi:10.15128/r1jh343s29p
Rights
Creative Commons Attribution 4.0 International (CC BY)

Publisher
Durham University
Date Created

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J.O. Law
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3 June 2018, 14:06:20
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File size: 880325
Last modified: 2018:05:30 15:06:46+01:00
Filename: open_data_archive.tar.gz
Original checksum: fa495b9080b9ea37096e3c6c2d363a65
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User N. Syrotiuk has updated Nucleation of a sphere: the roles of curvature, confinement and ensemble [computer software] 2 months ago
User N. Syrotiuk has updated Nucleation of a sphere: the roles of curvature, confinement and ensemble [computer software] 2 months ago
User J.O. Law has updated Nucleation of a sphere: the roles of curvature, confinement and ensemble [computer software] 2 months ago
User N. Syrotiuk has updated Nucleation of a sphere: the roles of curvature, confinement and ensemble [computer software] 2 months ago