Lim / Zhong Carbon Nanotubes as Nanodelivery Systems

An Insight Through Molecular Dynamics Simulations
2013
ISBN: 978-981-4451-39-0
Verlag: Springer Singapore
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, 60 Seiten, eBook

Reihe: SpringerBriefs in Applied Sciences and Technology

This book showcases the application of carbon nanotubes as nanodelivery systems for copper atoms, using molecular dynamics simulations as a means of investigation. The nanodelivery system of the carbon nanotube presents the possible usage of the carbon structure in many areas in the future. This book is comprehensive and informative, and serves as a guide for any reader who wishes to perform a molecular dynamics simulation of his own and to conduct an analytical study of a molecular system.

Zielgruppe

Research

Autoren/Hrsg.

Lim, Melvin Choon Giap

Zhong, ZhaoWei

Inhaltsverzeichnis

CHAPTER 1 Introduction 1.1 Background 1.2 Bibliography  CHAPTER 2 Building an MD simulation program 2.1 Introduction 2.2 Ensembles 2.3 Periodic Boundary Conditions 2.4 Neighbour list 2.5 Potential energy and forces 2.6 The velocity Verlet method 2.7 Simulation algorithm 2.8 Bibliography  CHAPTER 3 Sample of an application of an MD simulation program 3.1 Introduction 3.2 Simulation details for bulk Al slab and Al (110) Surface 3.3 The atomic behaviour of bulk Al slab and Al (110) surface 3.4 Bibliography CHAPTER 4 Carbon Nanotube Channels as Nanodelivery systems 4.1 Introduction 4.2 Transportation of copper atoms along a (5,5)–(4,4) CNT channel 4.3 Analyses of the dynamical behaviour of copper atoms in a (5,5)–(4,4) CNT channel 4.4 Analyses of the atomic arrangement of copper atoms under electromigration conditions 4.5 Bibliography CHAPTER 5 Variation in Carbon Nanotube Channels as Nanodelivery Systems 5.1 Introduction 5.2 Effects of junctions sizes on the flow of copper atoms along CNT channels 5.3 Analyses of copper due to different junction sizes CHAPTER 6 Carbon Nanotube Chirality and the Flow Phenomena of Copper Atoms 6.1 Introduction 6.2 Effect of CNT chirality on the spiral flow of copper atoms in their cores 6.3 Analyses of the spiral flow phenomenon of copper atoms 6.4 Bibliography