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

• Published in: Chinese physics letters Vol. 32; no. 3; pp. 87 - 91
• Main Author: 李晓天 杨小宝 赵宇军
• Format: Journal Article
• Language: English
• 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

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...