Quasilattice-Conserved Optimization of the Atomic Structure of Decagonal Al-Co-Ni Quasicrystals

The detailed atomic structure of quasicrystals has been an open problem for decades. Here we present a quasilattiee-conserved optimization method （quasi-OPT）, under particular quasiperiodic boundary conditions. As the atomic coordinates are described by basic cells and quasilattices, we are able to...

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Bibliographic Details
Published inChinese physics letters Vol. 32; no. 3; pp. 87 - 91
Main Author 李晓天 杨小宝 赵宇军
Format Journal Article
LanguageEnglish
Published 01.03.2015
Subjects
Atomic structure
Boundaries
Boundary conditions
Computer simulation
Mathematical models
Optimization
Quasicrystals
Self-similarity
优化
保守
准晶
十边形
原子结构模型
钴
铝
镍
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Summary:The detailed atomic structure of quasicrystals has been an open problem for decades. Here we present a quasilattiee-conserved optimization method （quasi-OPT）, under particular quasiperiodic boundary conditions. As the atomic coordinates are described by basic cells and quasilattices, we are able to maintain the self-similarity characteristics of qusicrystals with the atomic structure of the boundary region updated timely following the relaxing region. Exemplified with the study of decagonal Al-Co-Ni （d-Al-Co-Ni）, we propose a more stable atomic structure model based on Penrose quasilattice and our quasi-OPT simulations. In particular, rectangle-triangle ruIes are suggested for the local atomic structures of d-Al-Co-Ni quasicrystals.
Bibliography:The detailed atomic structure of quasicrystals has been an open problem for decades. Here we present a quasilattiee-conserved optimization method （quasi-OPT）, under particular quasiperiodic boundary conditions. As the atomic coordinates are described by basic cells and quasilattices, we are able to maintain the self-similarity characteristics of qusicrystals with the atomic structure of the boundary region updated timely following the relaxing region. Exemplified with the study of decagonal Al-Co-Ni （d-Al-Co-Ni）, we propose a more stable atomic structure model based on Penrose quasilattice and our quasi-OPT simulations. In particular, rectangle-triangle ruIes are suggested for the local atomic structures of d-Al-Co-Ni quasicrystals.
11-1959/O4
LI Xiao-Tian, YANG Xiao-Bao, ZHAO Yu-Jun（Department of Physics and State Key Laboratory of Luminescent Materials and Devices South China University of Technology, Guangzhou 510640）
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:0256-307X
1741-3540
DOI:10.1088/0256-307X/32/3/036102