Volume 21, Issue 1
Computing Optimal Interfacial Structure of Modulated Phases

Jie Xu ,  Chu Wang and An-Chang Shi & Pingwen Zhang

10.4208/cicp.OA-2016-0020

Commun. Comput. Phys., 21 (2017), pp. 1-15.

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  • 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 phases. We observe 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 different relative positions and orientations. Several types of novel complex interfacial structures emerge from the calculations.

  • History

Published online: 2018-04

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