Transition pathways in Cylinder-Gyroid interface

作     者：Xiaomei Yao Jie Xu Lei Zhang 

作者机构：Beijing International Center for Mathematical ResearchPeking UniversityBeijing 100871China LSEC&NCMISInstitute of Computational Mathematics and Scientific/Engineering Computing(ICMSEC)Academy of Mathematics and Systems Science(AMSS)Chinese Academy of SciencesBeijingChina 

出 版 物：《Communications in Computational Physics》 (计算物理通讯（英文）)

年 卷 期：2022年第32卷第8期

页      面：810-828页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China No.12001524 and and No.12288201 supported by the National Natural Science Foundation of China No.12050002 and the National Key R&D Program of China 2021YFF1200500. 

主　　题：Landau-Brazovskii model Cylinder-Gyroid interface saddle dynamics transition state transition pathway 

摘      要：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.