Systematics of the Third Row Transition Metal Melting: The HCP Metals Rhenium and Osmium

The melting curves of rhenium and osmium to megabar pressures are obtained from an extensive suite of ab initio quantum molecular dynamics (QMD) simulations using the Z method. In addition, for Re, we combine QMD simulations with total free energy calculations to obtain its phase diagram. Our result...

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Detalles Bibliográficos

Principais autores:	Leonid Burakovsky, Naftali Burakovsky, Dean Preston, Sergei Simak
Formato:	Artigo
Idioma:	Inglês
Publicado:	MDPI AG 2018-06-01
Series:	Crystals
Assuntos:	quantum molecular dynamics phase diagram melting curve transition metal
Acceso en liña:	http://www.mdpi.com/2073-4352/8/6/243
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