Thermal stability of Benzorod arrays: Molecular-dynamics simulations

Date

2005-05-01

Author

Malcıoğlu, Osman Barış

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

214
views

0
downloads

A set of Benzorod arrays on a graphene substrate has been investigated by performing classical molecular-dynamics simulations. Benzorod is composed of aligned and dehydrogenated benzene rings that are stacked to form a rod-like structure. It has been found that the arrays considered axe thermally stable up to elevated temperatures, with a dependence on length.

Subject Keywords

Mathematical Physics, Computational Theory and Mathematics, General Physics and Astronomy, Statistical and Nonlinear Physics, Computer Science Applications

URI

https://hdl.handle.net/11511/38904

Journal

INTERNATIONAL JOURNAL OF MODERN PHYSICS C

DOI

https://doi.org/10.1142/s0129183105007558

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

Molecular-dynamics simulations of carbon nanocage structures: Nanoballs and nanotoroids Erkoç, Şakir; Vural, DC (World Scientific Pub Co Pte Lt, 2001-06-01) The structural stability of carbon nanocages, fullerens and toroids, have been investigated by performing molecular-dynamics computer simulations. The systems considered are C-120 and C-240 in ball and toroidal structures. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that C-120 ball is very unstable, and the other structures are relatively more strong against heat treatment.
Junction formation in crossed nanotubes under pressure: Molecular-dynamics simulations Tasci, E; Malcıoğlu, Osman Barış; Erkoc, A (World Scientific Pub Co Pte Lt, 2005-09-01) Junction formation in crossed C(10,0) single wall carbon nanotubes under pressure has been investigated, using classical molecular-dynamics simulations at 1 K. It has been found that a stable mechanical junction was formed by means of placing two crossed single wall carbon nanotubes between two rigid graphene layers which move toward each other.
EXACTLY SOLVABLE EFFECTIVE MASS D-DIMENSIONAL SCHRODINGER EQUATION FOR PSEUDOHARMONIC AND MODIFIED KRATZER PROBLEMS IKHDAİR, SAMEER; Sever, Ramazan (World Scientific Pub Co Pte Lt, 2009-03-01) The point canonical transformation (PCT) approach is used to solve the Schrodinger equation for an arbitrary dimension D with a power-law position-dependent effective mass (PDEM) distribution function for the pseudoharmonic and modified Kratzer (Mie-type) diatomic molecular potentials. In mapping the transformed exactly solvable D-dimensional (D >= 2) Schrodinger equation with constant mass into the effective mass equation by using a proper transformation, the exact bound state solutions including the energ...
Electronic structure calculations of low-dimensional semiconductor structures using B-spline basis functions Dikmen, B; Tomak, Mehmet (World Scientific Pub Co Pte Lt, 2005-02-01) An efficient method for the low-dimensional semiconductor structure is investigated. The method is applied to symmetric double rectangular quantum well as an example. A basis set of Cubic B-Splines is used as localized basis functions. The method compares well with analytical solutions and the finite difference method.
Structural properties of diamond nanorods: molecular-dynamics simulations Malcioglu, OB; Malcıoğlu, Osman Barış (World Scientific Pub Co Pte Lt, 2003-05-01) The structural properties of carbon nanorods obtained from diamond crystal have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. Diamond nanorods have been generated from three low-index planes of diamond crystal. It has been found that the average coordination number, cross-section geometry, and surface orientation from which the nanorod is generated play a role in the stability of ...

Citation Formats

O. B. Malcıoğlu, “Thermal stability of Benzorod arrays: Molecular-dynamics simulations,” INTERNATIONAL JOURNAL OF MODERN PHYSICS C, pp. 827–834, 2005, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/38904.