Concepedia

Cluster expansion method and its application in computational materials science

Wu Qu, Bing He, Tao Song, Jian Gao, Siqi Shi

Computational Materials Science · 2016 · 103 citations · 55 references

DOI

Concepts

References

55

Generalized cluster description of multicomponent systems

J. M. Sánchez, F. Ducastelle, D. Gratias · Physica A Statistical Mechanics and its Applications · 1984 · 1.8K citations

, , +4

The alloy theoretic automated toolkit: A user guide

Calphad · 2002 · 1.6K citations · Full text

, , +11

Density-functional theory applied to phase transformations in transition-metal alloys

John Connolly, A. R. Williams · Physical review. B, Condensed matter · 1983 · 1K citations

, , +14

Multicomponent multisublattice alloys, nonconfigurational entropy and other additions to the Alloy Theoretic Automated Toolkit

Axel van de Walle · Calphad · 2009 · 977 citations · Full text

, , +15

Automating first-principles phase diagram calculations

Axel van de Walle, Gerbrand Ceder · Journal of Phase Equilibria and Diffusion · 2002 · 946 citations

, , +11