Self-organized Sr leads to solid state twinning in nano-scaled eutectic Si phase

Mihaela Albu, Anirban Pal, Christian Gspan, C. Picu, Ferdinand Hofer, Gerald Kothleitner

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

Abstract

A new mechanism for twin nucleation in the eutectic Al-Si alloy with trace Sr impurities is proposed.Observations made by sub-angstrom resolution scanning transmission electron microscopy andX-ray probing proved the presence of <110> Sr columns located preferentially at twin boundaries.Density functional theory simulations indicate that Sr atoms bind in the Si lattice only along the<110> direction, with preferential positions at first and second nearest neighbors for interstitialand substitutional Sr, respectively. Density functional theory total energy calculations confirm thattwin nucleation at Sr columns is energetically favorable. Hence, twins may nucleate in Si precipitatesafter solidification, which provides a different perspective to the currently accepted mechanism whichsuggests twin formation during precipitate growth.
Originalspracheenglisch
Seiten (von - bis)31635/1-31635/7
Seitenumfang7
FachzeitschriftScientific reports
Jahrgang6
DOIs
PublikationsstatusVeröffentlicht - 2016

ASJC Scopus subject areas

  • !!Materials Science(all)

Fields of Expertise

  • Advanced Materials Science

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)

Dies zitieren

Self-organized Sr leads to solid state twinning in nano-scaled eutectic Si phase. / Albu, Mihaela; Pal, Anirban; Gspan, Christian; Picu, C.; Hofer, Ferdinand; Kothleitner, Gerald.

in: Scientific reports, Jahrgang 6, 2016, S. 31635/1-31635/7.

Publikation: Beitrag in einer FachzeitschriftArtikelForschungBegutachtung

@article{4a44033a89d049028bb00a8e32330e1e,
title = "Self-organized Sr leads to solid state twinning in nano-scaled eutectic Si phase",
abstract = "A new mechanism for twin nucleation in the eutectic Al-Si alloy with trace Sr impurities is proposed.Observations made by sub-angstrom resolution scanning transmission electron microscopy andX-ray probing proved the presence of <110> Sr columns located preferentially at twin boundaries.Density functional theory simulations indicate that Sr atoms bind in the Si lattice only along the<110> direction, with preferential positions at first and second nearest neighbors for interstitialand substitutional Sr, respectively. Density functional theory total energy calculations confirm thattwin nucleation at Sr columns is energetically favorable. Hence, twins may nucleate in Si precipitatesafter solidification, which provides a different perspective to the currently accepted mechanism whichsuggests twin formation during precipitate growth.",
author = "Mihaela Albu and Anirban Pal and Christian Gspan and C. Picu and Ferdinand Hofer and Gerald Kothleitner",
year = "2016",
doi = "10.1038/srep31635",
language = "English",
volume = "6",
pages = "31635/1--31635/7",
journal = "Scientific reports",
issn = "2045-2322",
publisher = "Nature Publishing Group",

}

TY - JOUR

T1 - Self-organized Sr leads to solid state twinning in nano-scaled eutectic Si phase

AU - Albu, Mihaela

AU - Pal, Anirban

AU - Gspan, Christian

AU - Picu, C.

AU - Hofer, Ferdinand

AU - Kothleitner, Gerald

PY - 2016

Y1 - 2016

N2 - A new mechanism for twin nucleation in the eutectic Al-Si alloy with trace Sr impurities is proposed.Observations made by sub-angstrom resolution scanning transmission electron microscopy andX-ray probing proved the presence of <110> Sr columns located preferentially at twin boundaries.Density functional theory simulations indicate that Sr atoms bind in the Si lattice only along the<110> direction, with preferential positions at first and second nearest neighbors for interstitialand substitutional Sr, respectively. Density functional theory total energy calculations confirm thattwin nucleation at Sr columns is energetically favorable. Hence, twins may nucleate in Si precipitatesafter solidification, which provides a different perspective to the currently accepted mechanism whichsuggests twin formation during precipitate growth.

AB - A new mechanism for twin nucleation in the eutectic Al-Si alloy with trace Sr impurities is proposed.Observations made by sub-angstrom resolution scanning transmission electron microscopy andX-ray probing proved the presence of <110> Sr columns located preferentially at twin boundaries.Density functional theory simulations indicate that Sr atoms bind in the Si lattice only along the<110> direction, with preferential positions at first and second nearest neighbors for interstitialand substitutional Sr, respectively. Density functional theory total energy calculations confirm thattwin nucleation at Sr columns is energetically favorable. Hence, twins may nucleate in Si precipitatesafter solidification, which provides a different perspective to the currently accepted mechanism whichsuggests twin formation during precipitate growth.

U2 - 10.1038/srep31635

DO - 10.1038/srep31635

M3 - Article

VL - 6

SP - 31635/1-31635/7

JO - Scientific reports

JF - Scientific reports

SN - 2045-2322

ER -