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Modeling the structure of liquids and crystals using one- and two-component modified phase-field crystal models

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posted on 2013-05-17, 12:49 authored by Mark J. Robbins, Andrew ArcherAndrew Archer, Uwe Thiele, Edgar Knobloch
A modified phase-field crystal model in which the free energy may be minimized by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where modulated and uniform phases are formed and also regions where localized states are formed. We investigate the effectiveness of the phase-field crystal model for describing fluids and crystals with defects.We further consider a two-component model and elucidate how the structure transforms from hexagonal crystalline ordering to square ordering as the concentration changes. Our conclusion contains a discussion of possible interpretations of the order parameter field.

History

School

  • Science

Department

  • Mathematical Sciences

Citation

ROBBINS, M.J. ... et al., 2012. Modeling the structure of liquids and crystals using one- and two-component modified phase-field crystal models. Physical Review E, 85 (6), 061408, 22pp.

Publisher

© American Physical Society

Version

  • VoR (Version of Record)

Publication date

2012

Notes

This article was published in the journal, Physical Review E [© American Physical Society].

ISSN

1539-3755

Language

  • en

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