High-pressure melting curve of platinum from ab initio Z method

A. B. Belonoshko and A. Rosengren
Phys. Rev. B 85, 174104 – Published 7 May 2012

Abstract

Pt is widely used as a standard in high-pressure high-temperature experiments. The available experimental and theoretical data on Pt thermal stability is not consistent. We address the issue of high-pressure Pt melting by ab initio molecular dynamics. We demonstrate a remarkable consistency of our computed melting curve with the experimental data by N. R. Mitra, D. L. Decker, and H. B. Vanfleet [Phys. Rev. 161, 613 (1967)]. The extrapolation of their data, based on the Simon equation, nearly coincides with our ab initio computed melting curve. We propose the Pt melting curve in the form Pm(kbar)=443.0[(T/Tm)1.141].

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  • Received 22 February 2012

DOI:https://doi.org/10.1103/PhysRevB.85.174104

©2012 American Physical Society

Authors & Affiliations

A. B. Belonoshko and A. Rosengren

  • Condensed Matter Theory, Theoretical Physics, AlbaNova University Center, KTH Royal Institute of Technology, SE-106 91 Stockholm, Sweden

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Issue

Vol. 85, Iss. 17 — 1 May 2012

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