On the interaction of solute atoms with vacancies in diluted Al-alloys: A paradigmatic experimental and ab-initio study on indium and tin

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F21%3A10439286" target="_blank" >RIV/00216208:11320/21:10439286 - isvavai.cz</a>

Result on the web

<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Vdc05zcjXc" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Vdc05zcjXc</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.actamat.2021.117228" target="_blank" >10.1016/j.actamat.2021.117228</a>

Result language

angličtina

Original language name

On the interaction of solute atoms with vacancies in diluted Al-alloys: A paradigmatic experimental and ab-initio study on indium and tin

Original language description

To study the vacancy-solute-atom interaction, diluted Al-In and Al-Sn alloys with 0.005 and 0.025 at.% indium/tin cast from very high purity elements were investigated by positron annihilation spectroscopy (PAS). Therefore, the alloys have been solution heat treated at temperatures ranging from 320 to 620 degrees C and then rapidly quenched into ice water freezing-in most thermal vacancies. Positron annihilation life-time (PALS) and coincidence Doppler broadening spectroscopies (CDBS) were combined to unambiguously identify vacancy-solute-atom complexes. For enabling a direct comparison to experiment, we did employ ab-initio DFT calculations of vacancy-solute-atom complexes providing relaxed atomic coordinates, which are used to calculate PAS annihilation parameters. In the as-quenched state vacancy-solute-atom pairs as well as vacancy clusters were observed in both alloys for all concentrations. During isochronal annealing vacancy clusters, formed during quenching, dissolved at about 130 degrees C, leaving vacancy-solute-atoms complexes as the only remaining defects. Thus, we could unambiguously identify those by a combination of PALS and CDBS with ab-initio calculations. Employing isothermal annealing the binding energy E-B of vacancies to In and Sn solute atoms was determined experimentally by PALS as well as by ab-initio calculations. We find from our experiments E-B = (0.20 +/- 0.03) and (0.32 +/- 0.10) eV for In and Sn, respectively, which is in very good agreement with our ab-initio calculations giving 0.23 and 0.26 eV, respectively. Our results clearly identified vacancy-In/Sn complexes as responsible for the retardation of vacancy migration after quenching. The vacancies bound to In and Sn solute-atoms are released around 150 degrees C shifting, when added to AlCu alloys as trace elements, the transport of copper atoms to higher temperatures necessary for the formation of finely distributed &quot;precipitates&quot;, which efficiently strengthen this kind of alloys. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc.

Czech name

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Czech description

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Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

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OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

—

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2021

Confidentiality

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

Name of the periodical

Acta Materialia

ISSN

1359-6454

e-ISSN

—

Volume of the periodical

219

Issue of the periodical within the volume

Neuveden

Country of publishing house

US - UNITED STATES

Number of pages

14

Pages from-to

117228

UT code for WoS article

000706780000003

EID of the result in the Scopus database

2-s2.0-85113341616