Nano-indentation of Graphene Sheet using Molecular Dynamic Simulation
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Transcript of Nano-indentation of Graphene Sheet using Molecular Dynamic Simulation
Roy Downs University of Arkansas
Faculty Mentor: Joe RencisGraduate Student Mentor: Sachin Terdalkar
Nano-indentation of Graphene Sheet using
Molecular Dynamic Simulation
Monolayer Structure of Carbon Atoms
Hexagonal Shape Lattice
Characteristics Very Strong Highly Conductive High Opacity
Graphene Sheet
http://en.wikipedia.org/wiki/File:Graphene_xyz.jpg
• Nano-scale Electronics
• Ultracapacitors
• Pressure Sensors
• Nano Resonators
Potential Applications
[Freitag, M., Nature Nanotechnology 2008]
Graphene Transistor
Experimental Measurement of Mechanical Properties
Mechanical Properties: Project Focuso Young’s Modulus (measured E=1.0 TPa)o Intrinsic Strength (measured sint=130 GPa)
Graphene on Silicon Substrate
Atomic Force Microscope (AFM)http://www.sciencemag.org/ http://www3.physik.uni-greifswald.de/
method/afm/eafm.htm
Graphene
Sheet
Silicon Substrat
e
Silicon Substrat
e
Graphene
Sheet
Load – Indentation Curve
332 )( aD aqEF
Graphene Sheet & AFM Indenterhttp://www.physorg.com/news135959004.html
http://www.sciencemag.org/
d
Atoms are assumed lumped point masses
Interaction through Inter-atomic Potential
Atomic position from numerical integration of equations of motion
Molecular Dynamics Simulation
F = ma
http://en.wikipedia.org/wiki/File:Argon_dimer_potential_and_Lennard-
Jones.png
Using MD SimulationsGenerate load-indentation
curveDetermine Young’s
ModulusCalculate Intrinsic
Strength
Determine Interaction Between Si Substrate and Graphene Sheet Using MD Simulations
Goals
http://www.sciencemag.org/
http://www.physorg.com/news135959004.html
Silicon Substrat
eGraphe
ne Sheet
Questions?