Publication details

Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K



Year of publication 2019
Type Article in Periodical
Magazine / Source Journal of Phase Equilibria and Diffusion
MU Faculty or unit

Faculty of Science

Keywords ab initio methods; alloys; CALPHAD approach; computational studies; intermetallics; phase diagram
Description The paper describes the development of implementation of ab initio results into the CALPHAD method and of calculations of phase diagrams down to 0K, where Prof. Jan Vetal is among pioneers paving new ways. His scientific activities contributed considerably to improved versatility and effectivity of the CALPHAD method, which was supported by numerous descriptions of binary and ternary systems accomplished with the help of data having stronger physical grounds and thus bringing more physics into the CALPHAD approach. He also brought the CALPHAD method to Czechoslovak scientific institutions and, due to his merit, numerous younger colleagues learned to apply this very effective approach.

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