scholarly journals Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations

2015 ◽  
Vol 36 (16) ◽  
pp. 1196-1212 ◽  
Author(s):  
Shu-Ching Ou ◽  
Di Cui ◽  
Matthew Wezowicz ◽  
Michela Taufer ◽  
Sandeep Patel
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Temperature Effects ◽  
Salt Solutions ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Carbon Nanotube-Based Oscillators

2005 ◽  
Author(s):  
Shaoping Xiao ◽  
David R. Andersen ◽  
Wenyi Hou
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Temperature Effects ◽  
Outer Tube ◽  
Electromagnetic Forces ◽  
Stable Frequency ◽  
Nanoelectromechanical System ◽  
Voltage Pulses ◽  
Dynamics Simulations

A [10, 10]/[5,5] nanotube-based oscillator is studied using molecular dynamics in this paper. The inner tube can oscillate inside the outer tube with a stable frequency of 55GHz, if this nanomechanical system is insulated. When temperature effects are considered, it is found that the nanooscillator will stop due to the temperature-related interlayer friction between the outer tube and the inner tube. A nanoelectromechanical system (NEMS) is designed by coating electrodes on the top of the outer tube. The electromagnetic forces, induced by the WRITE voltage pulses that are applied on the electrodes, can overcome the interlayer friction. The frequency of the proposed NEMS oscillator depends on the frequency of the WRITE voltage pulses.

scholarly journals Molecular dynamics simulations of carbon nanotube porins in lipid bilayers

2018 ◽  
Vol 209 ◽  
pp. 341-358 ◽  
Author(s):  
Martin Vögele ◽  
Jürgen Köfinger ◽  
Gerhard Hummer
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Lipid Bilayers ◽  
Lipid Membranes ◽  
Dynamics Simulations

Carbon nanotube porins embedded in lipid membranes are studied by molecular dynamics simulations.

Nanoscopic insights of saline water in carbon nanotube appended filters using molecular dynamics simulations

2019 ◽  
Vol 21 (16) ◽  
pp. 8529-8542 ◽  
Author(s):  
Pooja Sahu ◽  
Sk. Musharaf Ali ◽  
K. T. Shenoy ◽  
S. Mohan
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Water Transport ◽  
Saline Water ◽  
High Salt ◽  
Salt Rejection ◽  
Dynamics Simulations ◽  
Very High

Nanotube appended membranes are shown to be very promising due to their ultrafast water transport and very high salt rejection ability.

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