Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F15%3A00450467" target="_blank" >RIV/68081723:_____/15:00450467 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.actamat.2014.10.044" target="_blank" >http://dx.doi.org/10.1016/j.actamat.2014.10.044</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.actamat.2014.10.044" target="_blank" >10.1016/j.actamat.2014.10.044</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

Popis výsledku v původním jazyce

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, s0at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement.

Název v anglickém jazyce

Computationally efficient and quantitatively accurate multiscale simulation of solid-solution strengthening by ab initio calculation

Popis výsledku anglicky

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, s0at finite temperatures is predicted for other Al binary systems, and compared with available experiments, achieving good agreement.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

—

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Acta Materialia

ISSN

1359-6454

e-ISSN

—

Svazek periodika

85

Číslo periodika v rámci svazku

FEB

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

14

Strana od-do

53-66

Kód UT WoS článku

000348956800006

EID výsledku v databázi Scopus

2-s2.0-84917691048