Počet záznamů: 1
Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation
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SYSNO ASEP 0450467 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation Tvůrce(i) Ma, D. (DE)
Friák, Martin (UFM-A) RID, ORCID
von Pezold, J. (DE)
Raabe, D. (DE)
Neugebauer, J. (DE)Celkový počet autorů 5 Zdroj.dok. Acta Materialia. - : Elsevier - ISSN 1359-6454
Roč. 85, FEB (2015), s. 53-66Poč.str. 14 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova Solid-solution strengthening ; DFT ; Peierls–Nabarro model ; Ab initio ; Al alloys Vědní obor RIV BM - Fyzika pevných látek a magnetismus Institucionální podpora UFM-A - RVO:68081723 UT WOS 000348956800006 EID SCOPUS 84917691048 DOI 10.1016/j.actamat.2014.10.044 Anotace We propose an approach for the computationally efficient and quantitatively accurate prediction of solid-solution strengthening. It combines the 2-D Peierls–Nabarro model and a recently developed solid-solution strengthening model. Solid-solution strengthening is examined with Al–Mg and Al–Li as representative alloy systems, demonstrating a good agreement between theory and experiments within the temperature range in which the dislocation motion is overdamped. Through a parametric study, two guideline maps of the misfit parameters against (i) the critical resolved shear stress, s0, at 0 K and (ii) the energy barrier, DEb, against dislocation motion in a solid solution with randomly distributed solute atoms are created. With these two guideline maps, s0 at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement. Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2016
Počet záznamů: 1