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Xenon melting: Dens...
Xenon melting: Density functional theory versus diamond anvil cell experiments
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- Belonoshko, Anatoly (författare)
- KTH,Teoretisk fysik,Condensed Matter Theory,The Royal Institute of Technology, Stockholm
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- Davis, Sergio (författare)
- KTH,Tillämpad materialfysik,Applied Material Physics,The Rooyal Institute of Technology, Stockholm
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- Rosengren, Anders (författare)
- KTH,Kondenserade materiens teori,Condensed Matter Theory,AlbaNova University Center The Royal Institute of Technology, Stockholm
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- Ahuja, Rajeev (författare)
- Department of Physics, Uppsala University,Condensed Matter Theory,The AlbaNova University Center The oyal Institute of Technology, Stockholm
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- Johansson, Börje (författare)
- Uppsala universitet,KTH,Tillämpad materialfysik,Applied Material Physics,Fysiska institutionen,Dept of Physics Uppsala University
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- Simak, Sergey, 1967- (författare)
- Linköpings universitet,Tekniska högskolan,Teoretisk Fysik
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- Burakovsky, Leonid (författare)
- Theoretical Division Los Alamos National Laboatoy, New Mexico, USA
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- Preston, D. L. (författare)
- Physics Division Los Alamos National Laboratory, New Mexico, USA
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(creator_code:org_t)
- American Physical Society, 2006
- 2006
- Engelska.
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Ingår i: Physical Review B Condensed Matter. - : American Physical Society. - 0163-1829 .- 1095-3795. ; 74:5, s. 054114-
- Relaterad länk:
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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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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- We performed two-phase ab initio density functional theory based molecular dynamics simulations of Xe melting and demonstrated that, contrary to claims in the recent literature, the pressure dependence of the Xe melting curve is consistent with the corresponding-states theory as well as with the melting curve obtained earlier from classical molecular dynamics with a Xe pair potential. While at low pressure the calculated melting curve is in perfect agreement with reliable experiments, our calculated melting temperatures at higher pressures are inconsistent with those from the most recent diamond anvil cell experiment. We discuss a possible explanation for this inconsistency.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Nyckelord
- MOLECULAR-DYNAMICS
- EARTHS CORE
- CORRESPONDING STATES
- HIGH-PRESSURES
- MGO
- IRON
- KRYPTON
- PHASE
- TEMPERATURES
- SIMULATIONS
- Materials science
- Teknisk materialvetenskap
- Physics
- NATURAL SCIENCES
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- art (ämneskategori)
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