ŠOB, Mojmír, Aleš KROUPA, Jana PAVLŮ a Jan VŘEŠŤÁL. Application of Ab Initio Electronic Structure Calculations in Construction of Phase Diagrams of Metallic Systems with Complex Phases. Solid State Phenomena. Switzerland: Trans Tech Publications, 2009, roč. 150, č. 1, s. 1-28. ISSN 1012-0394. Dostupné z: https://dx.doi.org/10.4028/www.scientific.net/SSP.150.1. |
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@article{813529, author = {Šob, Mojmír and Kroupa, Aleš and Pavlů, Jana and Vřešťál, Jan}, article_location = {Switzerland}, article_number = {1}, doi = {http://dx.doi.org/10.4028/www.scientific.net/SSP.150.1}, keywords = {Ab initio calculations; electronic structure; CALPHAD method; Laves phases; sigma phase; ternary systems; super-austenitic steels}, language = {eng}, issn = {1012-0394}, journal = {Solid State Phenomena}, title = {Application of Ab Initio Electronic Structure Calculations in Construction of Phase Diagrams of Metallic Systems with Complex Phases.}, url = {https://www.scientific.net/SSP.150.1}, volume = {150}, year = {2009} }
TY - JOUR ID - 813529 AU - Šob, Mojmír - Kroupa, Aleš - Pavlů, Jana - Vřešťál, Jan PY - 2009 TI - Application of Ab Initio Electronic Structure Calculations in Construction of Phase Diagrams of Metallic Systems with Complex Phases. JF - Solid State Phenomena VL - 150 IS - 1 SP - 1-28 EP - 1-28 PB - Trans Tech Publications SN - 10120394 KW - Ab initio calculations KW - electronic structure KW - CALPHAD method KW - Laves phases KW - sigma phase KW - ternary systems KW - super-austenitic steels UR - https://www.scientific.net/SSP.150.1 L2 - https://www.scientific.net/SSP.150.1 N2 - The electronic structure theory and state-of-the-art ab initio calculation methods in solids are briefly reviewed and the application of calculated total energy differences between various phases (lattice stabilities) is illustrated on construction of phase diagrams by the CALPHAD method in systems containing phases with complex structures, e.g. Laves phases or sigma phase. ER -
ŠOB, Mojmír, Aleš KROUPA, Jana PAVLŮ a Jan VŘEŠŤÁL. Application of Ab Initio Electronic Structure Calculations in Construction of Phase Diagrams of Metallic Systems with Complex Phases. \textit{Solid State Phenomena}. Switzerland: Trans Tech Publications, 2009, roč.~150, č.~1, s.~1-28. ISSN~1012-0394. Dostupné z: https://dx.doi.org/10.4028/www.scientific.net/SSP.150.1.
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