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Stability of the bcc phase of 4He close to the melting curve: A molecular dynamics study
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0001-7531-3210
KTH, School of Engineering Sciences (SCI), Theoretical Physics, Condensed Matter Theory.ORCID iD: 0000-0002-2076-5911
2012 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 85, no 1, 012503- p.Article in journal (Refereed) Published
Abstract [en]

We have investigated whether the Aziz et al. [J. Chem. Phys. 70, 4330 (1979)] model for (4)He renders the body-centered cubic phase more stable than the face-centered cubic phase in the proximity of the melting curve. Using molecular dynamics, we have simulated these solid phases in equilibrium with the liquid at a number of densities. In contrast to previous free energy molecular dynamics calculations, the model stabilizes the body-centered cubic phase. The stability field is just 5 degrees. wide below the melting curve at pressures around 140 Kbar and about 70 degrees wide at pressures around 750 Kbar. Considering that the body-centered cubic phase is dynamically unstable at low temperature, this result bears striking similarities to transition metal phase diagrams.

Place, publisher, year, edition, pages
2012. Vol. 85, no 1, 012503- p.
Keyword [en]
CENTERED-CUBIC PHASE, EARTHS CORE, HELIUM, IRON, TRANSITIONS, DIAGRAM, EQUATION, STATE
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-61193DOI: 10.1103/PhysRevB.85.012503ISI: 000299267200001OAI: oai:DiVA.org:kth-61193DiVA: diva2:478720
Funder
Swedish Research Council
Note
Updated from accepted to published. QC 20120403Available from: 2012-01-16 Created: 2012-01-16 Last updated: 2017-12-08Bibliographically approved

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Belonoshko, AnatolyRosengren, Anders

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