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 | Johnson, Duane | |
dc.contributor.author | Levitas, Valery | |
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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