TY - GEN
T1 - Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes
AU - LIAO, X.
AU - CHEN, X.
N1 - 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.
PY - 2016
Y1 - 2016
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=85021633093&partnerID=8YFLogxK
U2 - 10.1115/IMECE201665911
DO - 10.1115/IMECE201665911
M3 - Conference paper (refereed)
VL - 14
BT - ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)
ER -