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Molecular dynamics ...
Molecular dynamics study of melting and fcc-bcc transitions in Xe
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- Belonoshko, Anatoly B. (författare)
- KTH,Fysik
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Ahuja, Rajeev (författare)
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- Johansson, Börje (författare)
- KTH,Materialvetenskap
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(creator_code:org_t)
- 2001
- 2001
- Engelska.
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 8716:16, s. art. no.-165505
- Relaterad länk:
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https://urn.kb.se/re...
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visa fler...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- 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.
Nyckelord
- high-pressure
- solid xenon
- state
- phase
- simulation
- equation
- he-4
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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