Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 1-The critical assessment of data for the Al-Zn system

0531544 - ÚFM 2021 RIV GB eng J - Článek v odborném periodiku
Dinsdale, A. - Zobač, O. - Kroupa, Aleš - Khvan, A.
Use of third generation data for the elements to model the thermodynamics of binary alloy systems: Part 1-The critical assessment of data for the Al-Zn system.
Calphad - Computer Coupling of Phase Diagrams and Thermochemistry. Roč. 68, MAR (2020), č. článku UNSP 101723. ISSN 0364-5916. E-ISSN 1873-2984
Grant CEP: GA ČR(CZ) GC18-25660J
Institucionální podpora: RVO:68081723
Klíčová slova: CALPHAD assessment * Al-Zn system * 3rd generation unary data * Concentration dependence of the Einstein * temperature
Obor OECD: Thermodynamics
Impakt faktor: 2.017, rok: 2020
Způsob publikování: Open access
https://www.sciencedirect.com/science/article/pii/S0364591619302846?via%3Dihub

Over the last four years there has been a renewed interest in the development of new critically assessed data using physically based models. Nearly all work so far has been concerned with the critical assessment of data for the elements. This has involved the selection of Einstein or Debye temperatures for the stable crystalline phases and the liquid phase and associated parameters. However, until now, these data have not been extended in a comprehensive way to model the thermodynamic properties of binary, ternary and multicomponent systems. In this paper the way in which the parameters underlying these physical models vary with composition is explored. This includes a method to define the Einstein temperature for metastable phases of the elements and its relation to the so-called lattice stabilities used in the past, and the variation of the Einstein temperature with composition to account for the composition dependence of the excess entropy. This approach is demonstrated for the Al-Zn system which shows extensive regions of solid solution and complete miscibility in the liquid phase. Here Einstein temperatures are derived for Al in the HCPZN phase and Zn in the FCC_A1 phase together with parameters describing the variation of the Einstein temperature with composition for the HCP_ZN, FCC_A1 and liquid phases.
Trvalý link: http://hdl.handle.net/11104/0310176