| HAVRÁNKOVÁ, Jitka, Jan VŘEŠŤÁL, Ligen WANG and Mojmír ŠOB. Ab initio analysis of energetics of sigma-phase formation in Cr-based systems. Physical Review B. USA: The American Physical Society, 2001, vol. 63, No 17, p. 174104-1, 5 pp. ISSN 0163-1829. |
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@article{360891,
author = {Havránková, Jitka and Vřešťál, Jan and Wang, Ligen and Šob, Mojmír and Wang, Ligen and Šob, Mojmír},
article_location = {USA},
article_number = {17},
keywords = {Ab initio calculations; thermodynamics; transition metals; iron; chromium; cobalt; energy of formation},
language = {eng},
issn = {0163-1829},
journal = {Physical Review B},
title = {Ab initio analysis of energetics of sigma-phase formation in Cr-based systems},
volume = {63},
year = {2001}
}
TY - JOUR
ID - 360891
AU - Havránková, Jitka - Vřešťál, Jan - Wang, Ligen - Šob, Mojmír - Wang, Ligen - Šob, Mojmír
PY - 2001
TI - Ab initio analysis of energetics of sigma-phase formation in Cr-based systems
JF - Physical Review B
VL - 63
IS - 17
SP - 174104-1
EP - 174104-1
PB - The American Physical Society
SN - 01631829
KW - Ab initio calculations
KW - thermodynamics
KW - transition metals
KW - iron
KW - chromium
KW - cobalt
KW - energy of formation
N2 - A theoretical approach to the explanation of experimentally determined positive enthalpy of formation in Cr-based sigma-phases is presented. It turns out that the energy of formation of sigma-phases in Cr-Co and Cr-Fe systems is found to be negative taking the pure components in sigma-phase structure as the standard states. Our treatment represents a first step to a model of an explanation of the stability of the sigma-phase.
ER -
HAVRÁNKOVÁ, Jitka, Jan VŘEŠŤÁL, Ligen WANG and Mojmír ŠOB. Ab initio analysis of energetics of sigma-phase formation in Cr-based systems. \textit{Physical Review B}. USA: The American Physical Society, 2001, vol.~63, No~17, p.~174104-1, 5 pp. ISSN~0163-1829.
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