Studying mechanical behavior of non-wrinkled phosphorene nanotubes under uniaxial loading

Subject Areas : journal of New Materials

هومن Esfandyar ¹ (Graduate student/ Shiraz University of Technology)
A.R Setoodeh ² (Associate Professor/ Shiraz University of Technology)

Received: 2017-02-03 Accepted : 2018-03-01 Published : 2018-02-20

Keywords: Non-wrinkled phosphorene nanotubes, Tensile and buckling behavior, Effects of Defect, Molecular Dynamics,

Abstract :

    Recently, phosphorene nanotubes like carbon nanotubes have been attracted much interest due to their superior mechanical, thermal, and electrical properties. Studying the mechanical behavior and material properties of such nano-structures is highly significant. Thus, in this research, the tensile and compressive behavior of phosphorene nanotubes is firstly simulated using molecular dynamics method and the effects of geometrical parameters on the mechanical behavior are studied. The impacts of diameter change on the tensile behavior and the influences of aspect ratio on the buckling behavior of the flat phosphorene nanotubes exhibit that the tensile strength increases for the larger diameters while the compressive strength decreases with increase of the aspect ratio. Subsequently, as a pioneering work in this field, the effects of defects on the tensile and compressive behavior of the nanotubes are investigated. The results demonstrate that the defects considerably decrease the tensile and buckling strength of the nanotubes. Also, it is seen that the buckling behavior is more sensitive to existing defects in comparison to the tensile behavior, such that 13.5 and 4.3 percentages drop of the compressive and tensile strengths are observed by removing mono-atom and a group of 2% atoms, respectively.  

References:

1-K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov, “Electric field effect in atomically thin carbon films”, Science, Vol.306, pp.666-669, 2004.          

2-C. Soldano, A. Mahmood, and E. Dujardin, “Production, properties and potential of graphen”, Carbon, Vol.48, pp.2127-2150, 2010.

3-R. Mas-Balleste, C. Gomes-Navaro, J. Gomes-Herrero, and F. Zamora,”2D materials to graphene and beyond”, Nanoscale, Vol.3, pp.20-30, 2011.    

4-S.Z. Butler, S.M. Hollen, L. Cao, and Y. Cui,”Progress challenges and opportunities in two dimensional material beyond graphene”, ACS Nano, Vol.7, pp.2898-926, 2013.

5-S. Zhu, Y. Hung, and T. Li, “Exteremely compliant and highly stretchable patterned graphene”, Appl.Phys.Lett, Vol.104, pp.151-173, 2014.   
           

6-M. Buscema, D.J. Groenendijk, G.A. Steele, H.S.J. Van der zant, and A. Castellanos-Gomes, “Photovoltaic effrct in few-layer black Phosphorus PN junctions defined by local electrostatic gating” ,Nature communications, Vol.5, pp.46-51, 2014.

7- L.Z. Kou, T. Fraunhrim, and C.F. Chen, “Phosphorene as a superior gas sensor selective adsorption and distinc I-V response”, Physical chemistry Lett, Vol.5, pp.2675-2681, 2014.  

8- Y.X. Deng, Z. Luo, N.J. Conrad, H. Liu, Y.J. Gong, S. Najmaei, P.M. Ajayam, J. Lou, X.F. Xu, and P.D. Ye, “black phosphorus mono-layar Mos2 van der waals heterojunction p-n diode”, ACS Nano, Vol.8, pp.8292-9, 2014.           

9-W.F. Li, Y. Yang, and G. Zhang, “Ultrafast and directional diffusion of lithium in phosphorene for high-performance lithium-ion battery”, Nano Lett, Vol.15, pp.1691-7

10-R. Fei, and L. Yang, “Strain Engineering the anisotropic Electrical Conductance of few-layer black phosphorus”, Nano Lett, Vol.14, pp.2884-89, 2014.          

11-G. Wang, G.C. Loh, R. Pendey, and S.P. Karna, “out of plane structural flexibility of phosphorene”, Nanotechnology, Vol.27, pp.(7), 2015.         

12-Q. Wei, and X. Peng, “superior mechanical flexibility of phosphorene and few-layer black phosphorus”, APPL PHYS LETT, Vol.104.251915, 2014.           

13-S. Zheng-Dong, Q.X. Pei, Z. Ding, J.W. Jiang, and Y.W. Zhang, “mechanical properties and fracture behavior of single layer phosphorene at finite temperatures”, Physics D, Vol.48,2015.  

14-Y. Zhaoyao, Z. Junhua, and W. Ning, “Temprature-dependent Mechanical properties of mono-layer black phosphorus by molecular dynamics simulation” , Physics Letters, Vol.107, 023107, 2015.

15-C. Kun, W. Jing, Y. Likui, and W.Ning, “Mechanical behavior of composite double wall nanotubes from carbon and phosphorus”, Materials Science, Vol.1, 2016.

16-H. Feng, X. Liao, H. Xiao,and X.Chen, “Effects of intrinsic strain on the structural stability and mechanical properties of phosphorene nanotubes”, Nanotechnology, Vol.27, 2016.      

17-D. Zhen and X.Qing, “Atomic vacancies significantly degrade the mechanical properties of phosphorene”, Nanotechnology, Vol.27, 2016.         

18- و. حسینی و م. وحدتی " تاثیر هندسه و سرعت ابزار بر تولید حرارت در فرایند برش نانو متری تک بلور مسی با استفاده از روش شبیه سازی دینامیک مولکولی" مجله مواد نوین، دوره 3، شماره8، ص 57-45 ، تابستان 1391.