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From
Thermal Transportation Behaviour Prediction of Defective Graphene Sheet at Various Temperature: A Molecular Dynamics Study
Muhammad Rubayat Bin Shahadat, Md. Ferdous Alam, Nur Alam Mandal, Md. Mahasin Ali
American Journal of Nanomaterials
.
2018
, 6(1), 34-40 doi:10.12691/ajn-6-1-4
Figure
1.
(a) Simulation domain of rectangular single layer graphene sheet (b) Defective graphene sheet by deleting 75 atoms (c) 205 atoms (d) 405 atoms (e) 505 atoms (f) 1200 atoms
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Figure
2
. Ratio of MD to quantum temperature versus MD temperature [16]
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Figure
3
. (a) Step-wise temperature variation all through process (b) Step wise temperature variation in equilibrium (c) Bin-wise temperature variation (d) Steady state temperature profile of pristine graphene and defected graphene sheet (e) Directional and resultant pressure distribution along 3 directions
Full size figure and legend
Figure
4
. (a) Variation of thermal conductivity of pure and defective graphene sheet with temperature using Optimized Tersoff Potential (b) Drop of thermal conductivity with the % of defect at 300 K temperature
Full size figure and legend
Figure
5
.
(a) Variation of thermal conductivity of pure and defective graphene sheet with temperature using Quantum Corrected Optimized Tersoff Potential (b) Drop of thermal conductivity with the % of defect at 300 K temperature
Full size figure and legend