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

A. Kroupa, J. Pavlů, M. Šob

Journal of Phase Equilibria and Diffusion 40 (1) 3-9 (2019) · Springer Science and Business Media LLC

Data: JSON record · id doi:10.1007/s11669-018-0704-6 · metadata: crossref

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References (Crossref, publisher-deposited) (19)

First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
SGTE data for pure elements (1991) [crossref_reference_list]
Miedema’s model revisited: The parameter for Ti, Zr, and Hf (2006) [crossref_reference_list]
Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results (2010) [crossref_reference_list]
Ab initio and thermodynamic study of the Cr–Re system (2010) [crossref_reference_list]
Thermodynamic modeling of Laves phases in the Ta–V system: Reassessment using first-principles results (2011) [crossref_reference_list]
Combined ab initio, experimental, and CALPHAD approach for an improved thermodynamic evaluation of the Mg–Si system (2012) [crossref_reference_list]
CALPHAD description of the Mo–Re system focused on the sigma phase modeling (2013) [crossref_reference_list]
Modeling of Fe–W phase diagram using first principles and phonons calculations (2015) [crossref_reference_list]
A new thermodynamic description of stable Cr-carbides for the third generation of thermodynamic database (2017) [crossref_reference_list]
Revised thermodynamic description of the Fe-Cr system based on an improved sublattice model of the σ phase (2018) [crossref_reference_list]
Thermodynamic re-assessment of binary Cr-Nb system down to 0 K (2018) [crossref_reference_list]
First-principles calculations of energetics of sigma phase formation and thermodynamic modelling in the Cr–Fe–W system (2007) [crossref_reference_list]
Crystal chemistry and Calphad modeling of the σ phase (2008) [crossref_reference_list]
Summary of the Proceedings of the Calphad XXIX Meeting (2000) [crossref_reference_list]
Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
Phase stability of the Hf-Nb system: From first-principles to CALPHAD (2002) [crossref_reference_list]
Computational and experimental study of phase stability, cohesive properties, magnetism and electronic structure of TiMn2 (2003) [crossref_reference_list]