Lattice Instability during Solid-Solid Structural Transformations under a General Applied Stress Tensor: Example of Si I → Si II with Metallization

dc.contributor.author Zarkevich, Nikolai
dc.contributor.author Chen, Hao
dc.contributor.author Johnson, Duane
dc.contributor.author Levitas, Valery
dc.contributor.department Aerospace Engineering
dc.contributor.department Ames National Laboratory
dc.contributor.department Mechanical Engineering
dc.contributor.department Materials Science and Engineering
dc.date 2019-09-21T16:33:34.000
dc.date.accessioned 2020-06-29T22:45:27Z
dc.date.available 2020-06-29T22:45:27Z
dc.date.copyright Mon Jan 01 00:00:00 UTC 2018
dc.date.issued 2018-10-19
dc.description.abstract <p>The density functional theory was employed to study the stress-strain behavior and elastic instabilities during the solid-solid phase transformation (PT) when subjected to a general stress tensor, as exemplified for semiconducting Si I and metallic Si II, where metallization precedes the PT, so stressed Si I can be a metal. The hydrostatic PT occurs at 76 GPa, while under uniaxial loading it is 11 GPa (3.7 GPa mean pressure), 21 times lower. The Si I → Si II PT is described by a critical value of the phase-field’s modified transformation work, and the PT criterion has only two parameters given six independent stress elements. Our findings reveal novel, more practical synthesis routes for new or known high-pressure phases under predictable nonhydrostatic loading, where competition of instabilities can serve for phase selection rather than free energy minima used for equilibrium processing.</p>
dc.description.comments <p>This article is published as Zarkevich, Nikolai A., Hao Chen, Valery I. Levitas, and Duane D. Johnson. "Lattice Instability during Solid-Solid Structural Transformations under a General Applied Stress Tensor: Example of Si I→ Si II with Metallization." <em>Physical Review Letters</em> 121, no. 16 (2018): 165701. DOI: <a href="https://dx.doi.org/10.1103/PhysRevLett.121.165701" target="_blank">10.1103/PhysRevLett.121.165701</a>. Posted with permission.</p>
dc.format.mimetype application/pdf
dc.identifier archive/lib.dr.iastate.edu/aere_pubs/129/
dc.identifier.articleid 1130
dc.identifier.contextkey 13162212
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath aere_pubs/129
dc.identifier.uri https://dr.lib.iastate.edu/handle/20.500.12876/1973
dc.language.iso en
dc.source.bitstream archive/lib.dr.iastate.edu/aere_pubs/129/2018_Levitas_LatticeInstability.pdf|||Fri Jan 14 19:32:59 UTC 2022
dc.source.uri 10.1103/PhysRevLett.121.165701
dc.subject.disciplines Engineering Physics
dc.subject.disciplines Materials Science and Engineering
dc.subject.disciplines Metallurgy
dc.subject.disciplines Structural Materials
dc.title Lattice Instability during Solid-Solid Structural Transformations under a General Applied Stress Tensor: Example of Si I → Si II with Metallization
dc.type article
dc.type.genre article
dspace.entity.type Publication
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