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 language | English |
|---|---|
| Title of host publication | Proceedings of the ASME 2016 International Mechanical Engineering Congress and Exposition |
| Publisher | American Society of Mechanical Engineers(ASME) |
| Number of pages | 13 |
| Volume | 14 |
| ISBN (Print) | 9780791850688 |
| DOIs | |
| Publication status | Published - 2016 |
| Externally published | Yes |
| Event | ASME 2016 International Mechanical Engineering Congress and Exposition - Phoenix, United States Duration: 11 Nov 2016 → 17 Nov 2016 |
Congress
| Congress | ASME 2016 International Mechanical Engineering Congress and Exposition |
|---|---|
| Country/Territory | United States |
| City | Phoenix |
| Period | 11/11/16 → 17/11/16 |
Funding
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.