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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F20%3A00531544" target="_blank" >RIV/68081723:_____/20:00531544 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S0364591619302846?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0364591619302846?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.calphad.2019.101723" target="_blank" >10.1016/j.calphad.2019.101723</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

20303 - Thermodynamics

Projekt

<a href="/cs/project/GC18-25660J" target="_blank" >GC18-25660J: Komplexní teoretické a experimentální studium fázových diagramů pokročilých thermoelektrických materialů na bázi Ag-Pb-Sn-Te a Pb-Se-Sn-Te</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Calphad - Computer Coupling of Phase Diagrams and Thermochemistry

ISSN

0364-5916

e-ISSN

—

Svazek periodika

68

Číslo periodika v rámci svazku

MAR

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

10

Strana od-do

UNSP 101723

Kód UT WoS článku

000521509200043

EID výsledku v databázi Scopus

2-s2.0-85077675548