skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study

Abstract

Stanene, a graphene like two dimensional honeycomb structure of tin has attractive features in electronics application. In this study, we performed molecular dynamics simulations using modified embedded atom method potential to investigate mechanical properties of stanene. We studied the effect of temperature and strain rate on mechanical properties of α-stanene for both uniaxial and biaxial loading conditions. Our study suggests that with the increasing temperature, both the fracture strength and strain of the stanene decrease. Uniaxial loading in zigzag direction shows higher fracture strength and strain compared to the armchair direction, while no noticeable variation in the mechanical properties is observed for biaxial loading. We also found at a higher loading rate, material exhibits higher fracture strength and strain. These results will aid further investigation of stanene as a potential nano-electronics substitute.

Authors:
 [1];  [2];  [3]
  1. Department of Mechanical Engineering, Bangladesh University of Engineering and Technology, Dhaka 1000 (Bangladesh)
  2. Department of Mechanical and Aerospace Engineering, Case western Reverse University, Cleveland, Ohio 44106 (United States)
  3. Department of Mechanical and Nuclear Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)
Publication Date:
OSTI Identifier:
22492728
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 118; Journal Issue: 12; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; FRACTURE PROPERTIES; GRAPHENE; HONEYCOMB STRUCTURES; MOLECULAR DYNAMICS METHOD; STRAIN RATE; STRAINS; TIN; TWO-DIMENSIONAL SYSTEMS

Citation Formats

Mojumder, Satyajit, Amin, Abdullah Al, and Islam, Md Mahbubul, E-mail: mmi122@psu.edu. Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study. United States: N. p., 2015. Web. doi:10.1063/1.4931572.
Mojumder, Satyajit, Amin, Abdullah Al, & Islam, Md Mahbubul, E-mail: mmi122@psu.edu. Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study. United States. doi:10.1063/1.4931572.
Mojumder, Satyajit, Amin, Abdullah Al, and Islam, Md Mahbubul, E-mail: mmi122@psu.edu. Mon . "Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study". United States. doi:10.1063/1.4931572.
@article{osti_22492728,
title = {Mechanical properties of stanene under uniaxial and biaxial loading: A molecular dynamics study},
author = {Mojumder, Satyajit and Amin, Abdullah Al and Islam, Md Mahbubul, E-mail: mmi122@psu.edu},
abstractNote = {Stanene, a graphene like two dimensional honeycomb structure of tin has attractive features in electronics application. In this study, we performed molecular dynamics simulations using modified embedded atom method potential to investigate mechanical properties of stanene. We studied the effect of temperature and strain rate on mechanical properties of α-stanene for both uniaxial and biaxial loading conditions. Our study suggests that with the increasing temperature, both the fracture strength and strain of the stanene decrease. Uniaxial loading in zigzag direction shows higher fracture strength and strain compared to the armchair direction, while no noticeable variation in the mechanical properties is observed for biaxial loading. We also found at a higher loading rate, material exhibits higher fracture strength and strain. These results will aid further investigation of stanene as a potential nano-electronics substitute.},
doi = {10.1063/1.4931572},
journal = {Journal of Applied Physics},
number = 12,
volume = 118,
place = {United States},
year = {Mon Sep 28 00:00:00 EDT 2015},
month = {Mon Sep 28 00:00:00 EDT 2015}
}
  • Stress-relaxation properties for kernels of one hybrid (yellow dent) of corn were experimentally determined from uniaxial compressive tests of core specimens at a constant deformation rate of 0.0212 mm/s 2.67 [times] 10[sup [minus]3] mm/(mm[center dot]s). Moisture content and temperature ranges from 9.7 to 26% dry basis (d.b.) and 25 to 100[degree]C, respectively. A relaxation modulus master curve was developed from constant deformation-rate data by applying the Boltzmann superposition principle and the method of reduced variables. The data of the master curve was represented by a five-term generalized Maxwell model (R[sup 2] = 0.990). A failure master curve (R[sup 2] =more » 0.893) was developed by applying time-moisture and time-temperature shift factor functions determined from relaxation modulus data to failure data. 30 refs., 8 figs., 2 tabs.« less
  • The elastic behavior of single-walled boron nitride nanotubes is studied under axial and torsional loading. Molecular dynamics simulation is carried out with a tersoff potential for modeling the interatomic interactions. Different chiral configurations with similar diameter are considered to study the effect of chirality on the elastic and shear moduli. Furthermore, the effects of tube length on elastic modulus are also studied by considering different aspects ratios. It is observed that both elastic and shear moduli depend upon the chirality of a nanotube. For aspect ratios less than 15, the elastic modulus reduces monotonically with an increase in the chiralmore » angle. For chiral nanotubes, the torsional response shows a dependence on the direction of loading. The difference between the shear moduli against and along the chiral twist directions is maximum for chiral angle of 15°, and zero for zigzag (0°) and armchair (30°) configurations.« less
  • The purpose of this study is to investigate the evolution of dislocation structure in polycrystalline copper under uniaxial loading by an in situ X-ray diffraction experiment using synchrotron radiation. The dislocation structures are characterized in terms of dislocation density and the spatial fluctuation of their distribution from the Fourier analysis of broadened X-ray line profiles. Some conclusions from this work are as follows: (a) the dynamic evolution of dislocation density and its spatial fluctuation during deformation exhibits some fluctuation, not a merely monotonic behavior, as has been generally accepted for the case of static (unloaded) dislocation structure in plastically deformedmore » metals; (b) dynamic recovery is ascribed mainly to a rearrangement of dislocations; (c) the variation of dislocation density in the cell walls and cell interiors asserts a nearly periodic rearrangement and/or annihilation of dislocations.« less