• Asia-pacific Journal of Multimedia Services Convergent with Art, Humanities, and Sociology
• /
• v.8 no.1
• /
• pp.887-894
• /
• 2018

We investigated the position controlling C60 fullerene encapsulated into a graphene-nanoribbon trench via classical molecular dynamics simulations. The graphene-nanoribbon trench can provide nanoscale empty spaces, and a C60 encapsulated therein can be considered as media for a nanoelectromechanical shuttle device. The classical molecular dynamics simulations presented here provide information on the potential application of a graphene-nanoribbon trench in a C60 shuttle device. Driving forces applied to C60 resulted in its motion toward the edges of the graphene-nanoribbon trench, the suction forces induced at both edges were balanced with the driving forces, and finally, the C60 fullerene gradually settled on the edges of the graphene-nanoribbon trench after several oscillations. The results of the present simulation suggest the importance of graphene-nanoribbon trenches encapsulating fullerenes in a wide range of applications in the field of nanotechnology.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
• /
• 2008.11a
• /
• pp.341-342
• /
• 2008

The dynamics of nano particles in LC medium under an external electric field is of theoretical and technological interest. In this work, the dynamical characteristics of fullerene $(C_{60})$ particles in liquid crystal (LC) medium under dc electric field have been investigated. This effect was studied for homogeneously aligned nematic LC cells driven by in-plane field. The $C_{60}$ was found to be aggregated in a form of cluster inside the LC medium. Hence polystytene was used to protect the aggregation of $C_{60}$ in LC medium. When the electric field was applied, the fullerenes start to move in direction of applied electric field. The density of $C_{60}$'s particles at the electrodes increase with increase in the value of applied electric field. The dynamical motions of fullerene $(C_{60})$ particles in liquid crystal (LC) suggest that fullerene can be designed for electrophoretic displays (i.e., electronic ink).

• Coupled systems mechanics
• /
• v.3 no.4
• /
• pp.329-344
• /
• 2014

In this work, quantum molecular dynamics simulations (QMD) are preformed to study the hydrogen molecules in three types of carbon nanostructures, $C_{60}$ fullerene, (5,5) and (9,0) carbon nanotubes and graphene layers. Interactions between hydrogen and the nanostructures is of importance to understand hydrogen storage for the development of hydrogen economy. The QMD method overcomes the difficulties with empirical interatomic potentials to model the interaction among hydrogen and carbon atoms in the confined geometry. In QMD, the interatomic forces are calculated by solving the Schrodinger's equation with the density functional theory (DFT) formulation, and the positions of the atomic nucleus are calculated with the Newton's second law in accordance with the Born-Oppenheimer approximation. It is found that the number of hydrogen atoms that is less than 58 can be stored in the $C_{60}$ fullerene. With larger carbon fullerenes, more hydrogen may be stored. For hydrogen molecules passing though the fullerene, a particular orientation is required to obtain least energy barrier. For carbon nanotubes and graphene, adsorption may adhere hydrogen atoms to carbon atoms. In addition, hydrogen molecules can also be stored inside the nanotubes or between the adjacent layers in graphite, multi-layer graphene.

• Journal of Powder Materials
• /
• v.28 no.3
• /
• pp.253-258
• /
• 2021

There is increasing demand for the development of a new material with high strength, high stiffness, and good electrical conductivity that can be used for high-voltage direct current cables. In this study, we develop aluminum-based composites containing C₆₀ fullerenes, carbon nanotubes, or graphene using a powder metallurgical route and evaluate their strength, stiffness, coefficient of thermal expansion, and electrical conductivity. By optimizing the process conditions, a material with a tensile strength of 800 MPa, an elastic modulus of 90 GPa, and an electrical conductivity of 40% IACS is obtained, which may replace iron-core cables. Furthermore, by designing the type and volume fraction of the reinforcement, a material with a tensile strength of 380 MPa, elastic modulus of 80 GPa, and electrical conductivity of 54% IACS is obtained, which may compete with AA 6201 aluminum alloys for use in all-aluminum conductor cables.

• Journal of the Korean Vacuum Society
• /
• v.14 no.1
• /
• pp.40-48
• /
• 2005

Bucky shuttle memory systems were investigated by the classical molecular dynamics(MD) simulations. Energetics and operating response of the shuttle-memory-elements u?ere examined by MD simulations of the C/sub 60/ shuttle in the nanomemory systems under various external force fields. Single-nanopeapod type was consisting of three fullerenes encapsulated in (10, 10) boron-nitride nanotube and filled Cu electrode. Studied systems could be applied to nonvolatile memory. MD simulation results showed that the stable bit flops could be achieved from the external force fields of 0.1 eV/Å for single-nanopeapod type.