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TILT GRAIN BOUNDARIES OF HEXAGONAL STRUCTURES: A SPECTRAL VIEWPOINT
Jiang, Kai1; Si, Wei1; Xu, Jie2,3
2022
发表期刊SIAM JOURNAL ON APPLIED MATHEMATICS
ISSN0036-1399
卷号82期号:4页码:1267-1286
摘要We propose a spectral viewpoint for grain boundaries that are generally quasiperiodic. To accurately capture the spectra computationally, it is crucial to adopt the projection method for quasiperiodic functions. Armed with the Lifshitz-Petrich free energy, we take the spectral viewpoint to examine tilt grain boundaries of the hexagonal phase. Several ingredients of grain boundaries are extracted, which are not easy to obtain from real-space profiles. We find that only a few spectra substantially contribute to the formation of grain boundaries. Their linear relation to the intrinsic spectra of the bulk hexagonal phase is independent of the tilt angle. By examining the feature of the spectral intensities, we propose a definition of the interface width. The widths calculated from this definition are consistent with visual estimation.
关键词tilt grain boundaries quasiperiodicity spectral viewpoint projection method hexagonal structure
DOI10.1137/21M1463288
收录类别SCI
语种英语
WOS研究方向Mathematics
WOS类目Mathematics, Applied
WOS记录号WOS:000877554700005
出版者SIAM PUBLICATIONS
引用统计
文献类型期刊论文
条目标识符http://ir.amss.ac.cn/handle/2S8OKBNM/60687
专题中国科学院数学与系统科学研究院
通讯作者Jiang, Kai
作者单位1.Xiangtan Univ, Natl Ctr Appl Math Hunan, Sch Math & Computat Sci, Hunan Key Lab Computat & Simulat Sci & Engn,Key La, Xiangtan 411105, Hunan, Peoples R China
2.Chinese Acad Sci, LSEC, Beijing, Peoples R China
3.Chinese Acad Sci, Inst Computat Math & Sci Engn Comp ICMSEC, Acad Math & Syst Sci AMSS, NCMIS, Beijing, Peoples R China
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Jiang, Kai,Si, Wei,Xu, Jie. TILT GRAIN BOUNDARIES OF HEXAGONAL STRUCTURES: A SPECTRAL VIEWPOINT[J]. SIAM JOURNAL ON APPLIED MATHEMATICS,2022,82(4):1267-1286.
APA Jiang, Kai,Si, Wei,&Xu, Jie.(2022).TILT GRAIN BOUNDARIES OF HEXAGONAL STRUCTURES: A SPECTRAL VIEWPOINT.SIAM JOURNAL ON APPLIED MATHEMATICS,82(4),1267-1286.
MLA Jiang, Kai,et al."TILT GRAIN BOUNDARIES OF HEXAGONAL STRUCTURES: A SPECTRAL VIEWPOINT".SIAM JOURNAL ON APPLIED MATHEMATICS 82.4(2022):1267-1286.
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