Couples and pairs formation-thermodynamic and kinetic modelling applied to Al-Mg-Si

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F17%3A00506813" target="_blank" >RIV/68081723:_____/17:00506813 - isvavai.cz</a>

Result on the web

<a href="https://iopscience.iop.org/article/10.1088/1361-651X/aa76cf" target="_blank" >https://iopscience.iop.org/article/10.1088/1361-651X/aa76cf</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/1361-651X/aa76cf" target="_blank" >10.1088/1361-651X/aa76cf</a>

Result language

angličtina

Original language name

Couples and pairs formation-thermodynamic and kinetic modelling applied to Al-Mg-Si

Original language description

Kinetics of formation of couples (B-C) and pairs (B-B, C-C) is studied in an alloy with B-atoms and C-atoms as dilute solutes and A-atoms as solvent. The trapping concept, allowing division of the system into subsystems, the Bragg-Williams approximation used for the configurational entropy of each subsystem, and the thermodynamic extremal principle are applied in the model. The derived equilibrium conditions provide an extended Oriani-type equation. The kinetics of couples and pairs formation is given by explicit ordinary differential equations for the concentrations of couples and pairs allowing calculation of all relevant state variables. The concept is applied to an Al-Mg-Si system with the bonding energy terms EBB, ECC, EBC taken from ab-initio calculations. The presence of excess vacancies that are eventually frozen in by instant quenching as well as their subsequent annihilation influence the formation kinetics in a decisive way.

Czech name

—

Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

20303 - Thermodynamics

Project

<a href="/en/project/GA15-06390S" target="_blank" >GA15-06390S: Utilization of theoretical and experimental approaches to sintering for tailoring the microstructure and properties of advanced ceramic materials</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2017

Confidentiality

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

Name of the periodical

Modelling and Simulation in Materials Science and Engineering

ISSN

0965-0393

e-ISSN

—

Volume of the periodical

25

Issue of the periodical within the volume

6

Country of publishing house

GB - UNITED KINGDOM

Number of pages

15

Pages from-to

065011

UT code for WoS article

000404472800001

EID of the result in the Scopus database

2-s2.0-85027225948