Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F15%3A00450465" target="_blank" >RIV/68081723:_____/15:00450465 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1088/1367-2630/17/9/093009" target="_blank" >http://dx.doi.org/10.1088/1367-2630/17/9/093009</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1088/1367-2630/17/9/093009" target="_blank" >10.1088/1367-2630/17/9/093009</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials

Popis výsledku v původním jazyce

In order to identify a method allowing for a fast solute assessment without lengthy ab initio calculations, we analyze (anti-)correlations between the I1 stacking fault energies (I1 SFEs), which were shown to be related to the macroscopic ductility in Mgalloys, and five material parameters of 18 different elemental solutes. Our analysis reveals that the atomic volume V of pure solutes, their electronegativity ? and bulk modulus B are either linearly or logarithmically related to the I1 SFE. Comparing the impact of solutes with that of yttrium (that increases the ductility in Mg) we propose a single numerical quantity (called yttrium similarity index, YSI) that is based on these interrelations. Subsequently, we evaluate this new figure of merit for 76elements in search for solutes reducing the I1 SFE. Limiting ourselves first to binary Mgalloys, we hardly find any alternative solutes providing similar I1 SFE reduction as that due to rare-earth (RE) additions. Therefore, we extended ou

Název v anglickém jazyce

Rapid theory-guided prototyping of ductile Mg alloys: from binary to multi-component materials

Popis výsledku anglicky

In order to identify a method allowing for a fast solute assessment without lengthy ab initio calculations, we analyze (anti-)correlations between the I1 stacking fault energies (I1 SFEs), which were shown to be related to the macroscopic ductility in Mgalloys, and five material parameters of 18 different elemental solutes. Our analysis reveals that the atomic volume V of pure solutes, their electronegativity ? and bulk modulus B are either linearly or logarithmically related to the I1 SFE. Comparing the impact of solutes with that of yttrium (that increases the ductility in Mg) we propose a single numerical quantity (called yttrium similarity index, YSI) that is based on these interrelations. Subsequently, we evaluate this new figure of merit for 76elements in search for solutes reducing the I1 SFE. Limiting ourselves first to binary Mgalloys, we hardly find any alternative solutes providing similar I1 SFE reduction as that due to rare-earth (RE) additions. Therefore, we extended ou

Druh

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

CEP obor

BM - Fyzika pevných látek a magnetismus

OECD FORD obor

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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

New Journal of Physics

ISSN

1367-2630

e-ISSN

—

Svazek periodika

17

Číslo periodika v rámci svazku

9

Stát vydavatele periodika

DE - Spolková republika Německo

Počet stran výsledku

17

Strana od-do

"Art. n. 093009"

Kód UT WoS článku

000367355600005

EID výsledku v databázi Scopus

2-s2.0-84943559624