Equation of state for ε-iron at high pressures and temperatures

dc.contributor.author	Belonoshko, A.B.
dc.date.accessioned	2012-04-08T16:38:07Z
dc.date.available	2012-04-08T16:38:07Z
dc.date.issued	2010
dc.identifier.citation	The equation of state for hexagonal close packed (hcp or ε) phase of Fe at high pressure is created by employing molecular dynamics (MD) simulations in conjunction with the embedded atom method based on the full potential linear muffin tin orbital (FPLMTO) method. Comparison between the existing experimental data and our calculations suggests that the obtained equation of state can be reliably used for calculating iron volumetric properties under conditions appropriate for the Earth's core. We demonstrate that some experimental data on iron might be subjected to a systematic error. I suggest a model which describes the temperature dependence of the volume better than the Mie-Grüneisen equation.	uk_UA
dc.identifier.issn	1607-324X
dc.identifier.other	PACS: 61.66.Bi, 62.50.+p, 64.30.+t, 71.15.Pd
dc.identifier.uri	http://dspace.nbuv.gov.ua/handle/123456789/32102
dc.description.abstract	Computations were performed using the facilities at the Swedish National Infrastructure for Computing (SNIC). Financial support from the Swedish Research Council (VR) is gratefully acknowledged.	uk_UA
dc.language.iso	en	uk_UA
dc.publisher	Інститут фізики конденсованих систем НАН України	uk_UA
dc.relation.ispartof	Condensed Matter Physics
dc.title	Equation of state for ε-iron at high pressures and temperatures	uk_UA
dc.title.alternative	Equation of state for ε-iron at high pressures and temperatures / A.B. Belonoshko // Condensed Matter Physics. — 2010. — Т. 13, № 2. — С. 23605: 1-11. — Бібліогр.: 43 назв. — англ.	uk_UA
dc.type	Article	uk_UA
dc.status	published earlier	uk_UA