By Melvin Choon Giap Lim, ZhaoWei Zhong
This publication showcases the appliance of carbon nanotubes as nanodelivery platforms for copper atoms, utilizing molecular dynamics simulations as a method of research. The nanodelivery approach of the carbon nanotube offers the potential utilization of the carbon constitution in lots of components sooner or later. This booklet is finished and informative, and serves as a advisor for any reader who needs to accomplish a molecular dynamics simulation of his personal and to behavior an analytical research of a molecular system.
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Extra resources for Carbon Nanotubes as Nanodelivery Systems: An Insight Through Molecular Dynamics Simulations
10, the critical undercooling temperature for the Al material would then be about 680 K. References 1. J. Y. Ye, Simple analytical embedded-atom-potential model including a long-range force for fcc metal and their alloys. Phys. Rev. B 54, 8398–8410 (1996) 2. -J. Chang, Molecular-dynamics study of mechanical properties of nanoscale copper with vacancies under static and cyclic loading. Microelectron. Eng. 65, 239–246 (2003) 3. K. Narayan, K. Behdinan, Z. Fawaz, An engineering-oriented embedded-atom-method potential fitting procedure for pure fcc and bcc metals.
1d. The spiral flow behaviour has been mentioned earlier in Chap. 4. However, a more thorough investigation shows that Fig. 1 Translocation of copper atoms along a (5,5)–(4,4) CNT channel at 673 K, with a 4 V bias voltage. 1 ps respectively 52 6 Carbon Nanotube Chirality and the Flow Phenomena of Copper Atoms Fig. 2 Translocation of copper atoms along a (8,0)–(7,0) CNT channel at 673 K, with a 4 V bias voltage. 1 ps respectively the copper atoms not only rotate while flowing, but forms a two copper atoms arrangement visible through the cross-sectional view of the (4,4) CNT.
4, it is observed that the spiral flow phenomenon in the (8,0)– (7,0) CNT channel is more obvious than that in the (5,5)–(4,4) CNT channel when the copper atoms are at the 08 configuration. It is also noted that the low bias voltage (2 V) results in a weaker driving force, and hence the repulsion by the junction of the channel onto the copper atoms is not strong. The convergence process of the copper atoms along the downstream is therefore smoother. 5 shows the flow of the first four copper atoms along the channels at 1073 K, with a 2 V bias voltage.
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