scholarly journals Diamond Needles Actuating Triple-Walled Carbon Nanotube to Rotate via Thermal Vibration-Induced Collision

2019 ◽  
Vol 20 (5) ◽  
pp. 1140
Author(s):  
Hui Li ◽  
Aiqin Wang ◽  
Jiao Shi ◽  
Yongjian Liu ◽  
Gao Cheng
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Theoretical Analysis ◽  
Potential Application ◽  
Boundary Effect ◽  
Rotational Frequency ◽  
Dynamics Simulation ◽  
Simulation Results ◽  
Rotational Direction

A rotary nanomotor is an essential component of a nanomachine. In the present study, a rotary nanomotor from wedged diamonds and triple-walled nanotubes was proposed with the consideration of boundary effect. The outer tubes and mid-tubes were used as nanobearing to constrain the inner tube. Several wedges of the diamond were placed near the inner tube for driving the inner tube to rotate. At a temperature lower than 300 K, the inner tube as the rotor had a stable rotational frequency (SRF). It is shown that both the rotational direction and the value of SRF of the rotor depended on the temperature and thickness of the diamond wedges. The dependence was investigated via theoretical analysis of the molecular dynamics simulation results. For example, when each diamond wedge had one pair of tip atoms (unsaturated), the rotational direction of the rotor at 100 K was opposite to that at 300 K. At 500 K, the rotating rotor may stop suddenly due to breakage of the diamond needles. Some conclusions are drawn for potential application of such a nanomotor in a nanomachine.

scholarly journals Thermal Vibration-Induced Rotation of Nano-Wheel: A Molecular Dynamics Study

2018 ◽  
Vol 19 (11) ◽  
pp. 3513 ◽  
Author(s):  
Haiyan Duan ◽  
Jiao Shi ◽  
Kun Cai ◽  
Qing-Hua Qin
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Low Temperature ◽  
Rotational Speed ◽  
Room Temperature ◽  
Rotational Symmetry ◽  
Rotational Frequency ◽  
Dynamics Simulation ◽  
Zero Moment

By bending a straight carbon nanotube and bonding both ends of the nanotube, a nanoring (or nano-wheel) is produced. The nanoring system can be driven to rotate by fixed outer nanotubes at room temperature. When placing some atoms at the edge of each outer tube (the stator here) with inwardly radial deviation (IRD), the IRD atoms will repulse the nanoring in their thermally vibration-induced collision and drive the nanoring to rotate when the repulsion due to IRD and the friction with stators induce a non-zero moment about the axis of rotational symmetry of the ring. As such, the nanoring can act as a wheel in a nanovehicle. When the repulsion is balanced with the intertubular friction, a stable rotational frequency (SRF) of the rotor is achieved. The results from the molecular dynamics simulation demonstrate that the nanowheel can work at extremely low temperature and its rotational speed can be adjusted by tuning temperature.

A Basic Study of the CNT-Biomolecule Conjugation by Molecular Dynamics Analysis

2008 ◽  
Vol 381-382 ◽  
pp. 361-364
Author(s):  
S.M. Kim ◽  
Hyun Kyu Kweon
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Van Der Waals ◽  
Van Der Waals Force ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Basic Study ◽  
Hydrophobic Force ◽  
Simulation Results

This study is about the underlying conjugation mechanism between carbon nanotube and biomolecule by molecular dynamics. In order to know about the conjugation mechanism between carbon nanotube and biomolecule, molecular dynamics simulation between carbon nanotube and water molecules was taken first and then molecular dynamics simulation between biomolecules and water molecules was taken. At simulation between carbon nanotube and water molecules, kinetic energy and potential energy became decreased with time and it means that the distance between carbon nanotube and water molecules becomes distant with time by van der Waals force and hydrophobic force. Simulation results between biomolecules and water molecules are also same as the results of carbon nanotube and water molecules simulation. From these two simulations, the conjugation mechanism between carbon nanotube and biomolecules can be predicted. Also, from simulation results between carbon nanotube and biomolecules, the distance between carbon nanotube and biomolecules becames close and it supports previous two simulation results. From these results, we can know that biomolecules enter into the carbon nanotube's cavity because of van der Waals force and hydrophobic force.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

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