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Molecular dynamics of LiF melting
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
2000 (English)In: PHYSICAL REVIEW B, ISSN 1098-0121, Vol. 61, no 18, 11928-11935 p.Article in journal (Refereed) Published
Abstract [en]

We performed molecular-dynamics simulations of the melting and/or freezing of LiF. The simulations were done using the Tosi-Fumi model and our own model of interatomic interactions. The latter was verified by ab initio calculations of the equation of stat

Place, publisher, year, edition, pages
AMERICAN PHYSICAL SOC , 2000. Vol. 61, no 18, 11928-11935 p.
Keyword [en]
ALKALI-HALIDES; HIGH-PRESSURE; BRILLOUIN-ZONE; SPECIAL POINTS; SIMULATION; MGO; TEMPERATURE; TRANSITION; POTENTIALS; ALUMINUM
Identifiers
URN: urn:nbn:se:uu:diva-36909OAI: oai:DiVA.org:uu-36909DiVA: diva2:64808
Note
Addresses: Belonoshko AB, Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, Box 530, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

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