Počet záznamů: 1
Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low
- 1.0391967 - FZÚ 2014 RIV US eng J - Článek v odborném periodiku
Lejček, Pavel - Šob, Mojmír - Paidar, Václav - Vítek, V.
Why calculated energies of grain boundary segregation are unreliable when segregant solubility is low.
Scripta Materialia. Roč. 68, č. 6 (2013), s. 547-550. ISSN 1359-6462. E-ISSN 1872-8456
Grant CEP: GA ČR GAP108/12/0144; GA ČR(CZ) GAP108/12/0311; GA AV ČR IAA100100920
Grant ostatní: CEITEC(XE) CZ.1.05/1.1.00/02.0068
Institucionální podpora: RVO:68378271 ; RVO:68081723
Klíčová slova: Interface segregation * grain boundary embrittlement * solid solubilitys * DFT
Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
Impakt faktor: 2.968, rok: 2013
Calculations of segregation energies at interfaces are often unreliable when the bulk solid solubility of the segregant is lower than that corresponding to one solute atom per computational repeat cell. The calculated energy of a solute in the bulk cannot be used when evaluating segregation energies.
Trvalý link: http://hdl.handle.net/11104/0220961
Počet záznamů: 1