High-pressure melting curve of platinum from ab initio Z method
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 c...
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Veröffentlicht in: | Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-05, Vol.85 (17), p.174104, Article 174104 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | 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) (http://dx.doi.org/10.1103/PhysRev.161.613)]. 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) super(1.14) - 1]. |
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ISSN: | 1098-0121 1550-235X 1550-235X |
DOI: | 10.1103/PhysRevB.85.174104 |