Quasi - Ab initio molecular dynamic study of Fe melting
2000 (English)In: Physical Review Letters, ISSN 0031-9007, Vol. 84, no 16, 3638-3641 p.Article in journal (Refereed) Published
We have investigated the melting of hcp Fe at high pressure by employing molecular dynamics simulations in conjunction with the full potential linear muffin tin orbital method. Apart from being of fundamental value. the melting of iron at high pressure is also important for our understanding of the Earth. The subject of iron melting at high pressures is controversial. The experimental data for the iron melting temperature can be separated into two regions. low and high. Here we present an ab initio simulated iron melting curve which is in agreement with the low temperatures at lower pressures, but is in excellent agreement with the high-mostly shockwave-temperatures at high pressure. A comparison with available data lends support to the presented iron melting curve.
Place, publisher, year, edition, pages
2000. Vol. 84, no 16, 3638-3641 p.
high-pressures, earths core, mgsio3 perovskite, iron, temperatures, mgo, simulations, curve
IdentifiersURN: urn:nbn:se:kth:diva-19686ISI: 000086504500034OAI: oai:DiVA.org:kth-19686DiVA: diva2:338378
QC 201005252010-08-102010-08-10Bibliographically approved