Short- and medium-range orders in Al90Tb10 glass and their relation to the structures of competing crystalline phases

dc.contributor.author Tang, L.
dc.contributor.author Yang, Z. J.
dc.contributor.author Wen, T. Q.
dc.contributor.author Ho, Kai-Ming
dc.contributor.author Kramer, Matthew
dc.contributor.author Wang, Cai-Zhuang
dc.contributor.department Ames Laboratory
dc.contributor.department Physics and Astronomy
dc.date 2021-01-14T22:30:17.000
dc.date.accessioned 2021-02-24T20:28:46Z
dc.date.available 2021-02-24T20:28:46Z
dc.date.embargo 2021-12-01
dc.date.issued 2020-12-01
dc.description.abstract <p>Molecular dynamics simulations using an interatomic potential developed by artificial neural network deep machine learning are performed to study the local structural order in Al90Tb10 metallic glass. We show that more than 80% of the Tb-centered clusters in Al90Tb10 glass have short-range order (SRO) with their 17 first coordination shell atoms stacked in a ‘3661’ or ‘15551’ sequence. Medium-range order (MRO) in Bergman-type packing extended out to the second and third coordination shells is also clearly observed. Analysis of the network formed by the ‘3661’ and ‘15551’ clusters show that ~82% of such SRO units share their faces or vertexes, while only ~6% of neighboring SRO pairs are interpenetrating. Such a network topology is consistent with the Bergman-type MRO around the Tb-centers. Moreover, crystal structure searches using genetic algorithm and the neural network interatomic potential reveal several low-energy metastable crystalline structures in the composition range close to Al90Tb10. Some of these crystalline structures have the ‘3661’ SRO while others have the ‘15551’ SRO. While the crystalline structures with the ‘3661’ SRO also exhibit the MRO very similar to that observed in the glass, the ones with the ‘15551’ SRO have very different atomic packing in the second and third shells around the Tb centers from that of the Bergman-type MRO observed in the glassy phase.</p>
dc.identifier archive/lib.dr.iastate.edu/ameslab_manuscripts/808/
dc.identifier.articleid 1802
dc.identifier.contextkey 21076576
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath ameslab_manuscripts/808
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/93251
dc.language.iso en
dc.relation.ispartofseries IS-J 10374
dc.source.bitstream archive/lib.dr.iastate.edu/ameslab_manuscripts/808/IS_J_10374.pdf|||Sat Jan 15 02:05:48 UTC 2022
dc.source.uri 10.1016/j.actamat.2020.116513
dc.subject.disciplines Engineering Physics
dc.title Short- and medium-range orders in Al90Tb10 glass and their relation to the structures of competing crystalline phases
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isOrgUnitOfPublication 25913818-6714-4be5-89a6-f70c8facdf7e
relation.isOrgUnitOfPublication 4a05cd4d-8749-4cff-96b1-32eca381d930
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