Heat capacity of liquid Al: Molecular dynamics simulations
2005 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 72, no 13, 132204- p.Article in journal (Refereed) Published
The heat capacities at constant pressure, c(P), at constant volume and at fixed volume, and the isothermal bulk modulus, are calculated for liquid Al over a wide range of temperatures using molecular dynamics simulations with interactions due to Ercolessi and Adams and Mei and Davenport. c(P) has only a weak temperature dependence, with a shallow minimum that results from the opposing effects of a gradual loss of shear resistance and thermal expansion.
Place, publisher, year, edition, pages
2005. Vol. 72, no 13, 132204- p.
thermodynamic properties, melting-point, aluminum, model, potentials, crystal, metals
IdentifiersURN: urn:nbn:se:kth:diva-25212DOI: 10.1103/PhysRevB.72.132204ISI: 000232933700007ScopusID: 2-s2.0-29744435700OAI: oai:DiVA.org:kth-25212DiVA: diva2:356544
QC 20101013. Uppdaterad från submitted till published (20101013).2010-10-132010-10-132010-10-13Bibliographically approved