Modification of Lu's (2005) high pressure model for improved high pressure/high temperature extrapolations. Part I: Modeling of platinum at high pressure/high temperature

نویسندگان

چکیده

Calphad description at high pressure is a very important topic. Several models have been proposed in the literature. The model by Lu et al. (X.-G. Lu, M. Selleby and B. Sundman, Comput. Coupling Phase Diagr. Thermochem., 29 (2005) 49-55) convenient many aspects. But it has criticized for giving unphysical extrapolations certain conditions. We show that this indeed suitable if additional constraints on several parameters are made order to obtain consistent when both temperature considered. This revised will be applied complete of Os–Pt system. In first part, thermodynamic assessment platinum solid liquid phases presented. use DFT phonon calculated data provided present work shown useful assessment. A Pt (equation state) including phase diagram given time.

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ژورنال

عنوان ژورنال: Calphad-computer Coupling of Phase Diagrams and Thermochemistry

سال: 2021

ISSN: ['1873-2984', '0364-5916']

DOI: https://doi.org/10.1016/j.calphad.2021.102304