| HOUSEROVÁ, Jana, Jan VŘEŠŤÁL a Mojmír ŠOB. Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2005, roč. 29, č. 2, s. 133-139. ISSN 0364-5916. |
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@article{594784,
author = {Houserová, Jana and Vřešťál, Jan and Šob, Mojmír},
article_location = {OXFORD},
article_number = {2},
keywords = {Ab initio calculation; sigma phase; phase diagram},
language = {eng},
issn = {0364-5916},
journal = {CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY},
title = {Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase},
volume = {29},
year = {2005}
}
TY - JOUR
ID - 594784
AU - Houserová, Jana - Vřešťál, Jan - Šob, Mojmír
PY - 2005
TI - Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase
JF - CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
VL - 29
IS - 2
SP - 133-139
EP - 133-139
PB - PERGAMON-ELSEVIER SCIENCE LTD
SN - 03645916
KW - Ab initio calculation
KW - sigma phase
KW - phase diagram
N2 - Calculation of phase diagram of Co-Mo and Fe-Mo systems by means of combination of ab initio electronic structure calculations and CALPHAD approach. Ab initio calculations of total energy differences between the sigma phase and standard element reference (SER) structures for pure constitutents are accomplished by means of full potential linearized augmented plane wave (FLAPW) method in the generalized gradient approximation (GGA).
ER -
HOUSEROVÁ, Jana, Jan VŘEŠŤÁL a Mojmír ŠOB. Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase. \textit{CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY}. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2005, roč.~29, č.~2, s.~133-139. ISSN~0364-5916.
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