Ab initio study of displacive phase transformations in iron

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F99%3A00003911" target="_blank" >RIV/00216224:14310/99:00003911 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Ab initio study of displacive phase transformations in iron
Original language description
The bcc--hcp and bcc--fcc transformations in iron are studied ab initio by following a constant-volume one-parameter transformation paths. Exchange-correlation energy is obtained within the generalized gradient approximation (GGA). Our calculations makeit possible to locate, with high precision, the transition configuration at which the bcc ferromagnetic structure transforms into the hcp nonmagnetic structure as well as the transition from the high-spin state to a low-spin state along the bcc--fcc transformation path.
Czech name
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Czech description
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
1999
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection
Proceedings of International Conference On Solid-Solid Phase Transformation '99
ISBN
4-88903-401-3
ISSN
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e-ISSN
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Number of pages
4
Pages from-to
855
Publisher name
M. Koiwa, T. Otsuka, T. Miyazaki
Place of publication
Sendai (Japan)
Event location
Sendai (Japan)
Event date
Jan 1, 1999
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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