HAVRÁNKOVÁ, Jitka, Jan VŘEŠŤÁL, Ligen WANG a Mojmír ŠOB. Ab initio analysis of energetics of sigma-phase formation in Cr-based systems. Physical Review B. USA: The American Physical Society, 2001, roč. 63, č. 17, s. 174104-1, 5 s. ISSN 0163-1829. |
Další formáty:
BibTeX
LaTeX
RIS
@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 a 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, roč.~63, č.~17, s.~174104-1, 5 s. ISSN~0163-1829.
|