Molecular dynamics simulations for quasicrystals under the Born-Gauss potentials

作者：Zhao, Sheng^*; Fu, Xiujun

来源：Physics Letters, Section A: General, Atomic and Solid State Physics , 2023, 480: 128988.

DOI：10.1016/j.physleta.2023.128988

• Quasicrystals
• Molecular dynamics simulation
• Born-Gauss potential

Molecular dynamics simulations are a tool for the study of the microscopic dynamics in quasicrystals. By choosing suitable potentials, such as the Dzugutov potential and the Lennard-Jones-Gauss potential, two-dimensional quasicrystals with 8-, 10- and 12-fold symmetries have been formed. In this work, we propose a Born-Gauss type potential with more adjusting parameters to do simulations in two dimensions. Decagonal and dodecagonal quasicrystals are successfully obtained. The structural properties are analyzed and the phase transitions between different structures are discussed. & COPY; 2023 Elsevier B.V.