Molecular dynamics study of carbon nanotube oscillators revisited.

نویسندگان

  • Xiongce Zhao
  • Peter T Cummings
چکیده

We performed molecular dynamics simulation of double walled carbon nanotube (DWCNT) oscillators under constant energy and constant temperatures with various commensurations and nanotube lengths. We clarify and resolve questions and differences raised by previous simulation results of similar systems. At constant energy, sustained oscillation is available for a wide range of initial temperatures. But low initial temperature is advantageous for DWCNTs to sustain oscillation under constant energy. We observed sustained oscillation at constant energy for both commensurate and incommensurate DWCNTs. On the other hand, under constant temperatures, both high and low temperatures are disadvantageous to sustain DWCNT oscillations. At constant low temperature, neither commensurate nor incommensurate DWCNTs can maintain oscillation. At appropriate constant temperatures, the oscillatory behavior of incommensurate nanotubes is much more sustained than that of commensurate tubes. The oscillatory frequency of DWCNTs depends significantly on the length of tubes. The initial oscillatory frequency is inversely proportional to the DWCNT lengths. The oscillation frequency of DWCNTs is insensitive to the initial temperatures at constant energy, but slightly dependent on the temperature at constant temperatures.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

How Do Palladium Complexes Affect on Coil Structure of Human Serum Albumin in the Presence of Carbon Nanotube? A Molecular Dynamics Study

To investigate the interaction and adsorption of drug and carbon nanotube on human serum albumin, three anti-cancer drugs ([Pd(phen)(R-gly)]NO3, R = methyl, propyl and amyl) with different hydrophobic tails and anticancer activities were selected. These drugs have better anti-tumor activity and less side effects than that known cis-platinum drug. Human serum albumin is also ...

متن کامل

Separation of ibuprofen drugs enantiomers by using chiral carbon nanotube with molecular dynamics simulation

Background: The separation of drug enantiomers in the pharmaceutical industry is of great importance since most organic compounds are chiral. The main purpose of this study was to calculate the binding energy of ibuprofen isomers interacting with the CNT, according to various adsorption configurations. Moreover, we have evaluated the performance of (16.4) chiral carbon nanotube for separation o...

متن کامل

Molecular Dynamics Simulation of Water in Single WallCarbon Nanotube

The overall aim of this study is to calculate some water properties in the single wall carbon naotubes (SWCNT) and compare them to the bulk water properties to investigate the deviation of water properties inside the SWCNT from those in the bulk. Here some physical and transport properties of water molecules in the single wall carbon nanotube were reported by performing molecular dynamics (MD) ...

متن کامل

A molecular dynamics simulation of water transport through C and SiC nanotubes: Application for desalination

In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes be comparable, the chiral vectors of C and Si-C nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

متن کامل

A molecular dynamics simulation of water transport through C and SiC nanotubes: Application for desalination

In this work the conduction of ion-water solution through two discrete bundles of armchair carbon and silicon carbide nanotubes, as useful membranes for water desalination, is studied. In order that studies on different types of nanotubes be comparable, the chiral vectors of C and Si-C nanotubes are selected as (7,7) and (5,5), respectively, so that    a similar volume of fluid is investigated ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:
  • The Journal of chemical physics

دوره 124 13  شماره 

صفحات  -

تاریخ انتشار 2006