Tight-binding molecular dynamics study of the role of defects on carbon nanotube moduli and failure

2007 ◽  
Vol 127 (7) ◽  
pp. 074708 ◽  
Author(s):  
Richard W. Haskins ◽  
Robert S. Maier ◽  
Robert M. Ebeling ◽  
Charles P. Marsh ◽  
Dustin L. Majure ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Tight Binding

Carbon Nanotube Based Molecular Electronic Devices

1998 ◽  
Vol 13 (9) ◽  
pp. 2357-2362 ◽  
Author(s):  
Madhu Menon ◽  
Deepak Srivastava
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Electronic Devices ◽  
Tight Binding ◽  
Single Walled Carbon Nanotubes ◽  
Building Blocks ◽  
Local Minima ◽  
Molecular Electronic ◽  
Walled Carbon Nanotubes

Complex three-point junctions of single-walled carbon nanotubes are proposed as building blocks of nanoscale electronic devices. Both T- and Y-junctions, made up of tubes with differing diameters and chiralities, are studied as prototypes. All the proposed complex junctions have been found to be local minima of the total energy on relaxation with a generalized tight-binding molecular dynamics scheme.

THEORETICAL INVESTIGATIONS OF QUANTUM TRANSPORT THROUGH CARBON NANOTUBE DEVICES

2000 ◽  
Vol 07 (05n06) ◽  
pp. 637-642 ◽  
Author(s):  
C. ROLAND ◽  
M. BUONGIORNO NARDELLI ◽  
H. GUO ◽  
H. MEHREZ ◽  
J. TAYLOR ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Quantum Transport ◽  
Function Analysis ◽  
Tight Binding ◽  
Spin Valve ◽  
Superconducting Devices ◽  
Binding Model ◽  
Theoretical Investigations ◽  
Carbon Nanotube Devices

By combining a nonequilibrium Green's function analysis with a standard tight-binding model, we have investigated quantum transport through carbon nanotube devices. For finite-sized nanotubes, transport is dominated by resonant tunneling, with the conductance being strongly dependent on the length of the nanotubes. Turning to nanotube devices, we have investigated spin-coherent transport in ferromagnetic–nanotube–ferromagnetic devices and nanotube-superconducting devices. The former shows a significant spin valve effect, while the latter is dominated by resonant Andreev reflections. In addition, we discuss AC transport through carbon nanotubes and the role of photon-assisted tunneling.

scholarly journals The transport of a charged peptide through carbon nanotubes under an external electric field: a molecular dynamics simulation

RSC Advances ◽  
2021 ◽  
Vol 11 (38) ◽  
pp. 23589-23596
Author(s):  
Wen Li ◽  
Shun Cheng ◽  
Bin Wang ◽  
Zheng Mao ◽  
Jianhua Zhang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Electric Field ◽  
External Electric Field ◽  
Dynamics Simulation

The role of electric field and types of carbon nanotube influencing the delivery process of peptide through CNTs were studied via all-atom molecular dynamics simulation.

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