publication . Article . Preprint . 2016

Computing Optimal Interfacial Structure of Modulated Phases

An-Chang Shi; Chu Wang; Pingwen Zhang; Jie Xu;
Open Access
  • Published: 05 Dec 2016 Journal: Communications in Computational Physics, volume 21, pages 1-15 (issn: 1815-2406, eissn: 1991-7120, Copyright policy)
  • Publisher: Global Science Press
Abstract
We propose a general framework of computing interfacial structures between two modulated phases. Specifically we propose to use a computational box consisting of two half spaces, each occupied by a modulated phase with given position and orientation. The boundary conditions and basis functions are chosen to be commensurate with the bulk structures. It is observed that the ordered nature of modulated structures stabilizes the interface, which enables us to obtain optimal interfacial structures by searching local minima of the free energy landscape. The framework is applied to the Landau-Brazovskii model to investigate interfaces between modulated phases with diff...
Subjects
free text keywords: Physics and Astronomy (miscellaneous), Condensed Matter - Soft Condensed Matter, Boundary value problem, Statistical physics, Mathematics, Maxima and minima, Basis function, Mathematical optimization, Energy landscape, Metastability
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