Solid-phase structures of the dzugutov pair potential.

In recent computer simulations of a simple monatomic system interacting via the Dzugutov pair potential, freezing of the fluid into an equilibrium dodecagonal quasicrystal has been reported [M. Dzugutov, Phys. Rev. Lett. 70, 2924 (1993)]. Here, using a combination of molecular dynamics simulation and thermodynamic perturbation theory, we conduct a detailed analysis of the relative stabilities of solid-phase structures of the Dzugutov-potential system. At low pressures, the most stable structure is found to be a bcc crystal, which gives way at higher pressures to a fcc crystal. Although a dodecagonal quasicrystal and a sigma-phase crystal compete with the bcc crystal for stability, they always remain metastable.

• Publication year

  2000

• Venue

  Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

• Publication date

  2000-03-09

• Fields of study

  Materials Science, Medicine, Physics

• Identifiers
  DOI 10.1103/PhysRevE.61.6845arXiv cond-mat/0003159PMID 11088377
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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