Campus Units

Aerospace Engineering, Mechanical Engineering, Ames Laboratory

Document Type

Article

Publication Version

Accepted Manuscript

Publication Date

5-19-2020

Journal or Book Title

Carbon

DOI

10.1016/j.carbon.2020.05.038

Abstract

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.

Comments

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." Carbon (2020). DOI: 10.1016/j.carbon.2020.05.038. Posted with permission.

Creative Commons License

Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License
This work is licensed under a Creative Commons Attribution-Noncommercial-No Derivative Works 4.0 License.

Copyright Owner

Elsevier Ltd.

Language

en

File Format

application/pdf

Available for download on Thursday, May 19, 2022

Published Version

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