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Volume 32, Issue 3
Transition Pathways in Cylinder-Gyroid Interface

Xiaomei Yao, Jie Xu & Lei Zhang

DOI: 10.4208/cicp.OA-2022-0038

Commun. Comput. Phys., 32 (2022), pp. 810-828.

Published online: 2022-09

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  • Abstract

When two distinct ordered phases contact, the interface may exhibit rich and fascinating structures. Focusing on the Cylinder-Gyroid interface system, transition pathways connecting various interface morphologies are studied armed with the Landau–Brazovskii model. Specifically, minimum energy paths are obtained by computing transition states with the saddle dynamics. We present four primary transition pathways connecting different local minima, representing four different mechanisms of the formation of the Cylinder-Gyroid interface. The connection of Cylinder and Gyroid can be either direct or indirect via Fddd with three different orientations. Under different displacements, each of the four pathways may have the lowest energy.

  • Keywords

Landau–Brazovskii model, Cylinder-Gyroid interface, saddle dynamics, transition state, transition pathway.

  • AMS Subject Headings

35Qxx, 49MXX, 35J20, 65M99

  • Copyright

COPYRIGHT: © Global Science Press

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  • TXT
@Article{CiCP-32-810, author = {Yao , XiaomeiXu , Jie and Zhang , Lei}, title = {Transition Pathways in Cylinder-Gyroid Interface}, journal = {Communications in Computational Physics}, year = {2022}, volume = {32}, number = {3}, pages = {810--828}, abstract = {

When two distinct ordered phases contact, the interface may exhibit rich and fascinating structures. Focusing on the Cylinder-Gyroid interface system, transition pathways connecting various interface morphologies are studied armed with the Landau–Brazovskii model. Specifically, minimum energy paths are obtained by computing transition states with the saddle dynamics. We present four primary transition pathways connecting different local minima, representing four different mechanisms of the formation of the Cylinder-Gyroid interface. The connection of Cylinder and Gyroid can be either direct or indirect via Fddd with three different orientations. Under different displacements, each of the four pathways may have the lowest energy.

}, issn = {1991-7120}, doi = {https://doi.org/10.4208/cicp.OA-2022-0038}, url = {http://global-sci.org/intro/article_detail/cicp/21046.html} }
TY - JOUR T1 - Transition Pathways in Cylinder-Gyroid Interface AU - Yao , Xiaomei AU - Xu , Jie AU - Zhang , Lei JO - Communications in Computational Physics VL - 3 SP - 810 EP - 828 PY - 2022 DA - 2022/09 SN - 32 DO - http://doi.org/10.4208/cicp.OA-2022-0038 UR - https://global-sci.org/intro/article_detail/cicp/21046.html KW - Landau–Brazovskii model, Cylinder-Gyroid interface, saddle dynamics, transition state, transition pathway. AB -

When two distinct ordered phases contact, the interface may exhibit rich and fascinating structures. Focusing on the Cylinder-Gyroid interface system, transition pathways connecting various interface morphologies are studied armed with the Landau–Brazovskii model. Specifically, minimum energy paths are obtained by computing transition states with the saddle dynamics. We present four primary transition pathways connecting different local minima, representing four different mechanisms of the formation of the Cylinder-Gyroid interface. The connection of Cylinder and Gyroid can be either direct or indirect via Fddd with three different orientations. Under different displacements, each of the four pathways may have the lowest energy.

Yao , XiaomeiXu , Jie and Zhang , Lei. (2022). Transition Pathways in Cylinder-Gyroid Interface. Communications in Computational Physics. 32 (3). 810-828. doi:10.4208/cicp.OA-2022-0038
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