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Molecular dynamics study of melting and fcc-bcc transitions in Xe
KTH, Superseded Departments, Physics.ORCID iD: 0000-0001-7531-3210
KTH, Superseded Departments, Materials Science and Engineering.
2001 (English)In: Physical Review Letters, ISSN 0031-9007, E-ISSN 1079-7114, Vol. 8716, no 16, p. art. no.-165505Article in journal (Refereed) Published
Abstract [en]

We have investigated the phase diagram of Xe over a wide pressure-temperature range by molecular dynamics. The calculated melting curve is in good agreement with earlier experimental data. At a pressure of around 25 GPa and a temperature of about 2700 K we find a triple fcc-bcc liquid point. The calculated fcc-bcc boundary is in nice agreement with the experimental points, which, however, were interpreted as melting. This finding suggests that the transition from close-packed to bcc structure might be more common at high pressure and high temperature than was previously anticipated.

Place, publisher, year, edition, pages
2001. Vol. 8716, no 16, p. art. no.-165505
Keyword [en]
high-pressure, solid xenon, state, phase, simulation, equation, he-4
Identifiers
URN: urn:nbn:se:kth:diva-21029ISI: 000171637100025OAI: oai:DiVA.org:kth-21029DiVA, id: diva2:339726
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved

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Belonoshko, Anatoly B.

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