Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes

Xiangbiao LIAO, Xi CHEN

Research output: Book Chapters | Papers in Conference ProceedingsConference paper (refereed)Referred Conference Paperpeer-review

3 Citations (Scopus)

Abstract

Using molecular dynamics (MD) simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular PNT structure plays an important role. It is proposed that the atomic structure of larger-diameter armchair PNTs (armPNTs) can remain stable at higher temperature, but the high intrinsic strain in the hoop direction renders zigzag PNTs (zigPNTs) less favorable. The mechanical properties of PNTs, including the Young's modulus and fracture strength, are sensitive to the diameter, showing a size dependence. A simple model is proposed to express the Young's modulus as a function of the intrinsic axial strain which in turns depends on the diameter of PNTs. In addition, the compressive buckling of armPNTs is length-dependent, whose instability modes transit from column buckling to shell buckling are observed as the ratio of diameter/length increases. Copyright © 2016 by ASME.
Original languageEnglish
Title of host publicationProceedings of the ASME 2016 International Mechanical Engineering Congress and Exposition
PublisherAmerican Society of Mechanical Engineers(ASME)
Number of pages13
Volume14
ISBN (Print)9780791850688
DOIs
Publication statusPublished - 2016
Externally publishedYes
EventASME 2016 International Mechanical Engineering Congress and Exposition - Phoenix, United States
Duration: 11 Nov 201617 Nov 2016

Congress

CongressASME 2016 International Mechanical Engineering Congress and Exposition
Country/TerritoryUnited States
CityPhoenix
Period11/11/1617/11/16

Bibliographical note

X.C. and F. H acknowledge the support from the National Natural Science Foundation of China (11172231 and 11372241), ARPA-E (DE-AR0000396) and AFOSR (FA9550-12-1-0159); X.L. and H.X. acknowledge the China Scholarship Council for the financial support.

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