Impact of antiphase boundaries on structural, magnetic and
vibrational properties of Fe3Al

a 2021

Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al

FRIÁK, Martin; Miroslav ČERNÝ; Monika VŠIANSKÁ a Mojmír ŠOB

Základní údaje

Originální název

Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al

Autoři

FRIÁK, Martin; Miroslav ČERNÝ; Monika VŠIANSKÁ a Mojmír ŠOB

Vydání

Intermetallics 2021, 2021

Další údaje

Jazyk

angličtina

Typ výsledku

Konferenční abstrakt

Obor

10403 Physical chemistry

Stát vydavatele

Německo

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Označené pro přenos do RIV

Ano

Kód RIV

RIV/00216224:14310/21:00124086

Organizační jednotka

Přírodovědecká fakulta

ISBN

978-3-948023-17-1

Klíčová slova anglicky

Magnetic; Fe3Al

Příznaky

Recenzováno

Změněno: 9. 2. 2022 12:12, Mgr. Marie Novosadová Šípková, DiS.

Anotace

V originále

Antiphase boundaries (APBs) are rather common extended defects appearing in crystals with ordered sublattices. They are formed when one part of a crystal is specifically shifted with respect to the other part. Our computational study focuses on APBs in Fe3Al, which belongs to a very promising class of Fe‐Al‐based materials [1,2]. Regarding APBs in iron aluminides, two types of APBs were experimentally found in the D03 superlattice of Fe3Al. The first one is characterized by a shift of the interfacing grains in the <100> direction by a half of the lattice parameter defined for a 16‐atom cube‐shaped D03 cell and is associated solely with the D03 superlattice (D03‐type of APBs). The other type of APBs, that we focus on in the present study, can appear both in the D03 superlattice and in the B2 lattice (it is called a B2‐type of APBs) and is characterized by a ½<111> shift. We studied the D03‐APBs, which are specific to the D03 superlattice, in (i) Fe3Al with and without Cr additions [3] and (ii) Fe‐Al‐Ti compounds [4]. In our current research we build upon our expertise with the B2‐type of APBs that we theoretically studied in Fe70Al30 alloy [5].

Návaznosti

LM2015085, projekt VaV

Název: CERIT Scientific Cloud (Akronym: CERIT-SC)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, CERIT Scientific Cloud

LM2018140, projekt VaV

Název: e-Infrastruktura CZ (Akronym: e-INFRA CZ)

Investor: Ministerstvo školství, mládeže a tělovýchovy ČR, e-Infrastruktura CZ

90042, velká výzkumná infrastruktura

Název: CESNET II

Citovat

FRIÁK, Martin; Miroslav ČERNÝ; Monika VŠIANSKÁ a Mojmír ŠOB. Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al. In Intermetallics 2021. 2021. ISBN 978-3-948023-17-1.

@proceedings{1832539,
   author = {Friák, Martin and Černý, Miroslav and Všianská, Monika and Šob, Mojmír},
   booktitle = {Intermetallics 2021},
   keywords = {Magnetic; Fe3Al},
   language = {eng},
   isbn = {978-3-948023-17-1},
   title = {Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al},
   url = {https://www.intermetallics-conference.de/fileadmin/congress/media/im2021/pdf/IM2021_Proceedings.pdf},
   year = {2021}
}

TY  - CONF
ID  - 1832539
AU  - Friák, Martin - Černý, Miroslav - Všianská, Monika - Šob, Mojmír
PY  - 2021
TI  - Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al
SN  - 9783948023171
KW  - Magnetic
KW  - Fe3Al
UR  - https://www.intermetallics-conference.de/fileadmin/congress/media/im2021/pdf/IM2021_Proceedings.pdf
N2  - Antiphase boundaries (APBs) are rather common extended defects appearing in crystals with ordered sublattices. They are formed when one part of a crystal is specifically shifted with respect to the other part. Our computational study focuses on APBs in Fe3Al, which belongs to a very promising class of Fe‐Al‐based materials [1,2]. Regarding APBs in iron aluminides, two types of APBs were experimentally found in the D03 superlattice of Fe3Al. The first one is characterized by a shift of the interfacing grains in the <100> direction by a half of the lattice parameter defined for a 16‐atom cube‐shaped D03 cell and is associated solely with the D03 superlattice (D03‐type of APBs). The other type of APBs, that we focus on in the present study, can appear both in the D03 superlattice and in the B2 lattice (it is called a B2‐type of APBs) and is characterized by a ½<111> shift. We studied the D03‐APBs, which are specific to the D03 superlattice, in (i) Fe3Al with and without Cr additions [3] and (ii) Fe‐Al‐Ti compounds [4]. In our current research we build upon our expertise with the B2‐type of APBs that we theoretically studied in Fe70Al30 alloy [5].
ER  -

FRIÁK, Martin; Miroslav ČERNÝ; Monika VŠIANSKÁ a Mojmír ŠOB. Impact of antiphase boundaries on structural, magnetic and vibrational properties of Fe3Al. In \textit{Intermetallics 2021}. 2021. ISBN~978-3-948023-17-1.

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