Ab Initio Calculation of Phase Diagrams of Oxides-Reference-Cited by-同舟云学术

Ab Initio Calculation of Phase Diagrams of Oxides

Published:2001-04-10 Issue:17 Volume:105 Page:3594-3599
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Lavrentiev M. Yu.¹,Allan N. L.¹,Barrera G. D.¹,Purton J. A.¹

Affiliation:

1. School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K., Departamento de Química, Universidad Nacional de la Patagonia SJB, Ciudad Universitaria, (9005) Comodoro Rivadavia, Argentina, and Central Laboratory of the Research Councils, Daresbury Laboratory, Warrington, Cheshire WA4 4AD, U.K.

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp004124%2B

Reference27 articles.

1. Cluster Approach to Order-Disorder Transformations in Alloys

2. Free energy of formation of defects in polar solids

3. Hybrid Monte Carlo and lattice dynamics simulations: the enthalpy of mixing of binary oxides

4. Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics

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