Shear-induced diamondization of multilayer graphene structures: A computational study Paul, Shiddartha Momeni, Kasra Levitas, Valery Levitas, Valery
dc.contributor.department Aerospace Engineering
dc.contributor.department Ames Laboratory
dc.contributor.department Mechanical Engineering 2020-06-05T03:03:19.000 2020-06-29T22:45:45Z 2020-06-29T22:45:45Z Wed Jan 01 00:00:00 UTC 2020 2022-05-19 2020-05-19
dc.description.abstract <p>Diamond is the hardest superhard material with excellent optoelectronic, thermomechanical, and electronic properties. Here, we have investigated the possibility of a new synthesis technique for diamane and diamond thin films from multilayer graphene at pressures far below the graphite→diamond transformation pressure. We have used the Molecular Dynamics technique with reactive force fields. Our results demonstrate a significant reduction (by a factor of two) in the multilayer graphene→diamond transformation stress upon using a combined shear and axial compression. The shear deformation in the multilayer graphene lowers the phase transformation energy barrier and plays the role of thermal fluctuations, which itself promotes the formation of diamond. We revealed a relatively weak temperature dependence of the transformation strain and stresses. The transformation stress vs. strain curve for the bulk graphite drops exponentially for finite temperatures.</p>
dc.description.comments <p>This is a manuscript of an article published as Paul, Shiddartha, Kasra Momeni, and Valery Levitas. "Shear-induced diamondization of multilayer graphene structures: A computational study." <em>Carbon</em> (2020). DOI: <a href="" target="_blank">10.1016/j.carbon.2020.05.038</a>. Posted with permission.</p>
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dc.identifier archive/
dc.identifier.articleid 1166
dc.identifier.contextkey 17911720
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath aere_pubs/165
dc.language.iso en
dc.source.bitstream archive/|||Fri Jan 14 21:01:26 UTC 2022
dc.source.uri 10.1016/j.carbon.2020.05.038
dc.subject.disciplines Materials Science and Engineering
dc.subject.disciplines Structures and Materials
dc.title Shear-induced diamondization of multilayer graphene structures: A computational study
dc.type article
dc.type.genre article
dspace.entity.type Publication
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