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

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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Bibliographic Details
Main Authors: Leonid Burakovsky, Naftali Burakovsky, Dean Preston, Sergei Simak
Format: Article
Language:English
Published: MDPI AG 2018-06-01
Series:Crystals
Subjects:
quantum molecular dynamics
phase diagram
melting curve
transition metal
Online Access:http://www.mdpi.com/2073-4352/8/6/243

Internet

http://www.mdpi.com/2073-4352/8/6/243

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