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Study of the high-p...
Study of the high-pressure helium phase diagram using molecular dynamics
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- Koci, L. (author)
- Uppsala universitet,Fysiska institutionen,CMT
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- Ahuja, Rajeev (author)
- Uppsala universitet,KTH,Materialvetenskap,Fysiska institutionen,CMT
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- Belonoshko, Anatoly B. (author)
- KTH,Kondenserade materiens teori
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- Johansson, Börje (author)
- Uppsala universitet,KTH,Tillämpad materialfysik,Fysiska institutionen,CMT
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(creator_code:org_t)
- 2006-12-08
- 2007
- English.
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In: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 19:1
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://urn.kb.se/re...
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Abstract
Subject headings
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- The rich occurrence of helium and hydrogen in space makes their properties highly interesting. By means of molecular dynamics ( MD), we have examined two interatomic potentials for He-4. Both potentials are demonstrated to reproduce high-pressure solid and liquid equation of state (EOS) data. The EOS, solid - solid transitions and melting at high pressures ( P) were studied using a two-phase method. The Buckingham potential shows a good agreement with theoretical and experimental EOS, but does not reproduce experimental melting data. The Aziz potential shows a perfect match with theoretical melting data. We conclude that there is a stable body-centred-cubic (bcc) phase for He-4 at temperatures ( T) above 340 K and pressures above 22 GPa for the Buckingham potential, whereas no bcc phase is found for the Aziz potential in the applied PT range.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- generalized-gradient approximation
- x-ray-diffraction
- equation-of-state
- melting curve
- solid he-4
- density
- quasi
- iron
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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