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Vřešt’ál, J., Kroupa, A., Šob, M. (2006) Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels. Computational Materials Science, 38 (2). 298-302 doi:10.1016/j.commatsci.2006.03.002

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Reference TypeJournal (article/letter/editorial)
TitleApplication of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels
JournalComputational Materials Science
AuthorsVřešt’ál, J.Author
Kroupa, A.Author
Šob, M.Author
Year2006 (December)Volume38
Issue2
PublisherElsevier BV
DOIdoi:10.1016/j.commatsci.2006.03.002Search in ResearchGate
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Mindat Ref. ID9504515Long-form Identifiermindat:1:5:9504515:5
GUID0
Full ReferenceVřešt’ál, J., Kroupa, A., Šob, M. (2006) Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels. Computational Materials Science, 38 (2). 298-302 doi:10.1016/j.commatsci.2006.03.002
Plain TextVřešt’ál, J., Kroupa, A., Šob, M. (2006) Application of ab initio electronic structure calculations for prediction of phase equilibria in superaustenitic steels. Computational Materials Science, 38 (2). 298-302 doi:10.1016/j.commatsci.2006.03.002
In(2006, December) Computational Materials Science Vol. 38 (2) Elsevier BV

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Houserová, Jana, Friák, Martin, Šob, Mojmı́r, Vřešt’ál, Jan (2002) Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr–Fe system. Computational Materials Science, 25 (4). 562-569 doi:10.1016/s0927-0256(02)00335-x
Šob, M., Friák, M., Legut, D., Fiala, J., Vitek, V. (2004) The role of ab initio electronic structure calculations in studies of the strength of materials. Materials Science and Engineering: A, 387. 148-157 doi:10.1016/j.msea.2003.10.376
Šob, Mojmír, Friák, M., Wang, L.G., Vitek, V. (2002) The Role of Ab Initio Electronic Structure Calculations in Contemporary Materials Science. Key Engineering Materials, 227. 261pp. doi:10.4028/www.scientific.net/kem.227.261
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Kroupa, A., Pavlů, J., Šob, M. (2019) Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K. Journal of Phase Equilibria and Diffusion, 40 (1) 3-9 doi:10.1007/s11669-018-0704-6
El-Moudny, Soukaina, Lmouchter, Mohamed, Zidouh, Hamid (2023) Electronic structure of NdNiO2 superconductor from ab initio density-functional-theory calculations. Computational Materials Science, 221. 112082 doi:10.1016/j.commatsci.2023.112082
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Nepal, Niraj K., Canfield, Paul C., Wang, Lin-Lin (2024) HTESP (High-throughput electronic structure package): A package for high-throughput ab initio calculations. Computational Materials Science, 244. 113247 doi:10.1016/j.commatsci.2024.113247
Bouhemadou, A., Khenata, R., Zegrar, F., Sahnoun, M., Baltache, H., Reshak, A.H. (2006) Ab initio study of structural, electronic, elastic and high pressure properties of barium chalcogenides. Computational Materials Science, 38 (2). 263-270 doi:10.1016/j.commatsci.2006.03.001
 
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