D 2001

First Principles Calculations Results in Phase Diagram Calculations

VŘEŠŤÁL, Jan

Basic information

Original name

First Principles Calculations Results in Phase Diagram Calculations

Authors

VŘEŠŤÁL, Jan

Edition

Bor, First Yugoslav Symposium on Thermodynamics and Phase Diagrams, p. 2-2, 2001

Other information

Language

English

Type of outcome

Stať ve sborníku

Field of Study

20303 Thermodynamics

Country of publisher

Serbia

Confidentiality degree

není předmětem státního či obchodního tajemství

Organization unit

Faculty of Science

Keywords in English

Thermodynamics; phase diagrams; first-principles calculations
Změněno: 31/5/2003 17:45, RNDr. JUDr. Vladimír Šmíd, CSc.

Abstract

V originále

The first principles computations of total energies of complex phases was used for modelling of intermetallic phases in CALPHAD method of calculations of phase diagrams.

Links

OC P3.10, research and development project
Name: Elektronová struktura a atomová konfigurace rozlehlých defektů v kovových materiálech
OC P3.90, research and development project
Name: Energetika tvorby sigma-fáze v soustavách tranzitních kovů
Investor: Ministry of Education, Youth and Sports of the CR, Energetics of sigma-phase formation in transition metals systems