Molecular Dynamics Simulation of Magnetic Field Induced Orientation of Nanotube-Polymer Composite

نویسندگان

  • Marwan S. AL-HAIK
  • M. Yousuff HUSSAINI
چکیده

Molecular dynamics simulations are carried out to study the reorientation of single wall carbon nanotubes in a polyethylene matrix under the influence of a 25 T magnetic field. The simulations are based on a variant of velocity Verlet algorithm, which relaxes the Larmor time-step restriction while preserving second-order accuracy. Simulations reveal that the unfolding and reorganization of the polyethylene (PE) chain facilitates the reorientation of the single wall carbon nanotubes closer to the direction of the applied magnetic field. Also, they bring out the difference between the behavior of the carbon nanotubes of zigzag chirality and that of armchair chirality. [DOI: 10.1143/JJAP.45.8984]

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

Mechanical Properties of CNT-Reinforced Polymer Nano-composites: A Molecular Dynamics Study

Understanding the mechanism underlying the behavior of polymer-based nanocomposites requires investigation at the molecular level. In the current study, an atomistic simulation based on molecular dynamics was performed to characterize the mechanical properties of polycarbonate (PC) nanocomposites reinforced with single-walled armchair carbon nanotubes (SWCNT). The stiffness matrix and elastic p...

متن کامل

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

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

The Effects of Carbon Nanotube Orientation and Aggregation on Static Behavior of Functionally Graded Nanocomposite Cylinders

In this paper, the effects of carbon nanotube (CNT) orientation and aggregation on the static behavior of functionally graded nanocomposite cylinders reinforced by CNTs are investigated based on a mesh-free method. The used nanocomposites are made of the straight CNTs that are embedded in an isotropic polymer as matrix. The straight CNTs are oriented, randomly or aligned or local aggregated int...

متن کامل

Molecular dynamics simulations of the elastic properties of polymer/carbon nanotube composites

Carbon nanotubes (CNTs) are promising additives to polymeric materials due to the potential for their enhancement of the structural, mechanical and electronic properties of the resulting composite. However, improvements in properties are by no means guaranteed, and the results are often sensitive to the particular polymer chosen, in addition to the quantity and quality of CNTs used in the compo...

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:

دوره   شماره 

صفحات  -

تاریخ انتشار 2006