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Heat transfer for CNT
Jiayun Shao
1.Graphene and CNT structure
2.CNT code by Matlab
3.run with lammps
4.Calculate the thermal conductivity
Sample matlab result
For a n=6 m=6 Height =100*10-10 m ;
Result:T(Translation vector) = -1*a1+1*a2 =2.46 * 10-10 mCh(Chiral vector) = 6*a1+6*a2=25.56 * 10-10 mDt(The nanotube diameter) = = 8.14 *10-10 m
Figure 1. General Graphene structure
Constructed parametrical model for Graphene and Carbon nanotube base on spatial operation based on Graphene surface with MATLAB
Figure 2. 6*6 Graphene unit in 10-10 m
Figure 3. 6*6 CNT Side view
Figure 4. 6*6 CNT top view
20 30 40 50 60 70 80290
295
300
305
310
315
f(x) = − 0.0343278571428571 x + 305.789005765306
T VS Position
T VS PositionLinear (T VS Position)
Z direction (*10^-10m)
Tem
pera
ture
(K)
Figure 5.
A (Cross section area)= Dt*3.4*Pi = 86.96 * 10-20 m2
Q = 0.1eV = 1.6*10-20 J
Based on the Fourier’s Law:
k=
Figure 6. cross section area
Stone wales defect
position Inter face start from 496.68 end at 511.165 middle point 503.9225 First part from 278.214 end at 476.161 second part from 567.894 end at 767.048
T1 at middle point 300.9966398 K
T2 at middle point 298.515463 Kdel T 2.48117675 K q 0.00000008 R=DELT/q 3.10E+07 K/ WA 8.696E-19m^2Boundary resistance 2.70E-11
K*m^2/W
Vacancy defect
position Interface start from 606.5 end at 615.5 middle point 611 First part from 328.5 end at 545.5 second part from 652.5 end at 904.5 T1 at middle point 297.4304 KT2 at middle point 301.9068 Kdel T 4.4764 K q 0.00000016 R=DELT/q 2.80E+07 K/ WA 8.696E-19M^2Boundary resistance 2.43E-11 K*M^2/W
Unzipped CNT
position Interface start from 505.13 end at 522.028 middle point 513.579 First part from 270.972 end at 406.156 second part from 585.999 end at 721.183 T1 at middle point 301.3752297 KT2 at middle point 298.734735 Kdel T 2.6404947 K q 0.00000008 R=DELT/q 3.30E+07 K/ WA 8.696E-19M^2Boundary resistance 2.87E-11 K*M^2/W
position Interface start from 505.13 end at 522.028 middle point 513.579 First part from 270.972 end at 406.156 second part from 585.999 end at 721.183 T1 at middle point 300.4431247 KT2 at middle point 297.5127663 Kdel T 2.9303584 K q 0.00000008 R=DELT/q 3.66E+07 K/ WA 8.696E-19M^2Boundary resistance 3.19E-11
K*M^2/W
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