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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KTH, Superseded Departments, Physics.ORCID iD: 0000-0001-7531-3210
KTH, Superseded Departments, Materials Science and Engineering.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, Vol. 8716, no 16, art. no.-165505 p.Article 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, art. no.-165505 p.
Keyword [en]
high-pressure, solid xenon, state, phase, simulation, equation, he-4
URN: urn:nbn:se:kth:diva-21029ISI: 000171637100025OAI: diva2:339726
QC 20100525Available from: 2010-08-10 Created: 2010-08-10Bibliographically approved

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