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Solid–liquid interfacial energies and equilibrium shapes of nanocrystals

R Backofen and A Voigt

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We extract the anisotropy of the solid–liquid interfacial energy of small crystals using phase field crystal simulations. The results indicate a strong dependence of the interfacial energy on the parameters in the phase field crystal model determining the position in the solid–liquid coexistence region in the phase diagram. Furthermore a size dependence of the anisotropy is shown if the crystal shape is reduced to the size of a nucleus.


PACS

68.08.-p Liquid-solid interfaces

61.46.Hk Nanocrystals

64.70.D- Solid–liquid transitions

64.70.Nd Structural transitions in nanoscale materials

Subjects

Soft matter, liquids and polymers

Surfaces, interfaces and thin films

Condensed matter: structural, mechanical & thermal

Nanoscale science and low-D systems

Dates

Issue 46 (18 November 2009)

Received 22 April 2009

Published 27 October 2009



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