A Model to Compute Phase Diagrams in Oxides with Empirical or First-Principles Energy Methods and Application to the Solubility Limits in the CaO-MgO System-Reference-Cited by-同舟云学术

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A Model to Compute Phase Diagrams in Oxides with Empirical or First-Principles Energy Methods and Application to the Solubility Limits in the CaO-MgO System

Published:1996-08 Issue:8 Volume:79 Page:2033-2040
ISSN:0002-7820
Container-title:Journal of the American Ceramic Society
language:en
Short-container-title:J American Ceramic Society

Author:

Tepesch Patrick D.,Kohan Adrian F.,Garbulsky Gerardo D.,Ceder Gerbrand,Coley Crystal,Stokes Harold T.,Boyer Larry L.,Mehl Michael J.,Burton Benjamin P.,Cho Kyeongjae,Joannopoulos John

Publisher

Wiley

Subject

Materials Chemistry,Ceramics and Composites

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1111/j.1151-2916.1996.tb08934.x/fullpdf

Reference32 articles.

1. A derivation of the Ising model for the computation of phase diagrams

2. Molecular dynamics simulation of fluoride-perovskites

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