The molecular dynamics study of vacancy defect influence on carbon nanotube performance as drug delivery system

• Published in: Engineering analysis with boundary elements Vol. 143; pp. 109 - 123
• Main Authors: Li, Shuai, Sajadi, S. Mohammad, Alharbi, Khalid Abdulkhaliq M, El-Shorbagy, M.A., Tlili, Iskander
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 01.10.2022
• Subjects: Atomic defect vacancy; Carbon nanotube; Drug delivery; Molecular dynamics; Nanopumping; Carbon nanotube; Molecular dynamics; Drug delivery; Atomic defect vacancy; Nanopumping

In the current research, we described atomic vacancy defect influence on nanopumping performance of CNT structure with molecular dynamics (MD) method (for the first time). In our simulations, CNT structure is defined in the presence of C20 molecule and Au tips in the nanopumping process. Temperature...