Thermodynamic assessment of the Ni–Si system by incorporating ab initio energetic calculations into the CALPHAD approach

Full-potential, linearized augmented plane wave programs for crystalline systems

Peter Blaha, Karlheinz Schwarz, P. Sorantin et al. · Computer Physics Communications · 1990 · 3.5K citations

Natural Sciences, Computational Engineering, Computational Materials Science +10

The Thermo-Calc databank system

Bo Sundman, Bo Jansson, Jan-Olof Andersson · Calphad · 1985 · 3.3K citations

Computing, Computer Science, Computational Thermodynamics +7

A Theory of Cooperative Phenomena

Ryoichi Kikuchi · Physical Review · 1951 · 1.9K citations

Natural Sciences, Physics, Condensed Matter Physics +16

A model for alloying in ferromagnetic metals

Mats Hillert, Magnus Jarl · Calphad · 1978 · 1.1K citations

Natural Sciences, Materials Engineering, Materials Science +12

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

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

Natural Sciences, Materials Science, Physics +14