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Phys. Rev. B 51, 15833–15840 (1995)

Nucleation of quasicrystals by rapid cooling of a binary melt: A molecular-dynamics study

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Johannes W. Roth
Laboratory of Atomic and Solid State Physics, Cornell University, 532 Clark Hall, Ithaca, New York 14853-2501

Rolf Schilling
Institut für Physik, Johannes-Gutenberg-Universität Mainz, Staudinger Weg 7, 55099 Mainz, Germany

Hans-Rainer Trebin
Institut für Theoretische und Angewandte Physik, Universität Stuttgart, Paffenwaldring 57, 70550 Stuttgart, Germany

Received 14 October 1994; published in the issue dated 1 June 1995

A binary Lennard-Jones fluid was cooled in an NPT ensemble by molecular-dynamics simulations. Depending on the cooling rate, we find a sharp transition from the melt either into a disordered structure or into a phase of icosahedral long-range order. We also observed a decagonal phase.

© 1995 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.51.15833
DOI:
10.1103/PhysRevB.51.15833
PACS:
61.44.+p, 61.20.Ja, 61.50.Em