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Keywords: md simulation
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Proceedings Papers
Publisher: Society of Petroleum Engineers (SPE)
Paper presented at the SPE Eastern Regional Meeting, October 15–17, 2019
Paper Number: SPE-196588-MS
... We used LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) to run our whole simulation, and PACKMOL was used to construct CNT. The carbon nanotube was made of pure carbon atoms, and every carbon atom has 1.42 A diameter. ( Figure 2 shown). Part II: details of MD simulation...