Počet záznamů: 1
Directional versus central-force bonding in studies of the structure and glide of 1/2 111 screw dislocations in bcc transition metals
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SYSNO ASEP 0332923 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Directional versus central-force bonding in studies of the structure and glide of 1/2 111 screw dislocations in bcc transition metals Tvůrce(i) Gröger, Roman (UFM-A) RID, ORCID
Vítek, V. (US)Celkový počet autorů 2 Zdroj.dok. Philosophical Magazine. - : Taylor & Francis - ISSN 1478-6435
Roč. 89, č. 34 (2009), s. 3163-3178Poč.str. 16 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova transition metals ; dislocation core ; directional bonding Vědní obor RIV BM - Fyzika pevných látek a magnetismus CEP IAA100100920 GA AV ČR - Akademie věd CEZ AV0Z20410507 - UFM-A (2005-2011) UT WOS 000272481200004 DOI 10.1080/14786430903236065 Anotace We address the differences between Finnis-Sinclair potentials and bond-order potentials (BOPs) when studying 1/2 111 screw dislocations in bcc transition metals, specifically Mo and W. These potentials differ in that the former is central-force, whereas the latter include angular bonding. The cores of 1/2 111 screw dislocations have two variants, one invariant with respect to the [-101] diad and the other not. It is the description of interatomic forces that governs both the core structure and the glide behaviour of dislocations. Whereas the results obtained with BOPs are similar for the two materials studied, Finnis-Sinclair potentials lead to a broader variety. Hence, in bcc transition metals the BOPs are a more reliable description of atomic interactions than Finnis-Sinclair potentials, but when the d band does not play any important role, the Finnis-Sinclair potentials are fully applicable. Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2010
Počet záznamů: 1