Instability analysis of silicon cylindrical nanoshells under axial compressive load using molecular dynamics simulations
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TECHNICAL PAPER
Instability analysis of silicon cylindrical nanoshells under axial compressive load using molecular dynamics simulations Banghua Xie1 • Qiuxiang Li1,2 • Kaihua Zeng1 • Saeid Sahmani3 • Daniel M. Madyira3 Received: 13 February 2020 / Accepted: 10 April 2020 Ó Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract Molecular dynamics (MD) simulation has provided researchers with a simple as well as accurate technique to investigate atomic and molecular systems. In the current investigation, the nonlinear axial buckling characteristics of cylindrical nanoshells made of silicon are studied based on MD simulations with Tersoff interatomic potential. Nanoshells with radius to thickness ratio of 10 are considered. The simulations are performed for different thermal environments and shell lengths to demonstrate the influences of them on the critical axial buckling loads of cylindrical nanoshells. It is found that through increase of length to radius ratio, the critical axial buckling load of silicon nanoshell decreases, but its critical endshortening increases. Furthermore, it is revealed that by increasing the value of temperature, the both critical buckling load and critical end-shortening of silicon nanoshell under axial compressive load decreases. The given MD results can be useful to develop more computationally efficient and accurate continuum descriptions of silicon micro/nano-structures.
1 Introduction One of the materials which have been chosen for the microelectronics industry is silicon. Recent developments, especially those enabled by nanoscale engineering of the electronic and photonic properties, are starting to change the picture, and some silicon nanostructures now approach or even exceed the performance of equivalent directbandgap materials (Priolo et al. 2014). In recent years, several investigations have been carried out to study the characteristics of different nanostructures made of silicon. For example, Kagimura et al. (2005) reported an ab initio investigation of several structures of pristine silicon nanowires with diameters between 0.5 and 2.0 nm. Rurali and Lorente (2005) studied by means of density functional calculations the role of lateral surface reconstructions in determining the electrical properties of silicon nanowires. & Saeid Sahmani [email protected]; [email protected] 1
School of Civil Engineering and Architecture, Nanchang Institute of Technology, Nanchang 330099, China
2
School of Civil Engineering & Architecture, Nanchang University, Nanchang 330031, China
3
Mechanical Engineering Science Department, Faculty of Engineering and Built Environment, University of Johannesburg, Johannesburg 2006, South Africa
They explored the different lateral reconstructions by relaxing all nanowires with crystalline bulk silicon structure and all possible ideal facets that correspond to an average diameter of 1.5 nm. Rurali et al. (2006) investigated the geometrical and electronic structure properties of h100i and h11
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