TY - JOUR

T1 - Computing optimal electronic and mathematical properties of Buckyball nanoparticle using graph algorithms

AU - Khataee, H R

AU - Ibrahim, Mahrous Yousef

AU - Sourchi, S

AU - Eskandari, L

AU - Teh Noranis, M A

PY - 2012

Y1 - 2012

N2 - Purpose - One of the significant underlying principles of nanorobotic systems deals with the understanding and conceptualization of their respective complex nanocomponents. This paper introduces a new methodology to compute a set of optimal electronic and mathematical properties of Buckyball nanoparticle using graph algorithms based on dynamic programming and greedy algorithm. Design/methodology/approach - Buckyball, C60, is composed of sixty equivalent carbon atoms arranged as a highly symmetric hollow spherical cage in the form of a soccer ball. At first, Wiener, hyper-Wiener, Harary and reciprocal Wiener indices were computed using dynamic programming and presented them as: W(Buckyball) = 11870.4, WW(Buckyball) = 52570.9, Ha(Buckyball) = 102.2 and RW(Buckyball) = 346.9. The polynomials of Buckyball, Hosoya and hyper-Hosoya, which are in relationship with Buckyball s indices, have also been computed. The relationships between Buckyball s indices and polynomials were then computed and demonstrated a good agreement with their mathematical equations. Also, a graph algorithm based on greedy algorithms was used to find some optimal electronic aspects of Buckyball s structure by computing the Minimum Weight Spanning Tree (MWST) of
Buckyball.

AB - Purpose - One of the significant underlying principles of nanorobotic systems deals with the understanding and conceptualization of their respective complex nanocomponents. This paper introduces a new methodology to compute a set of optimal electronic and mathematical properties of Buckyball nanoparticle using graph algorithms based on dynamic programming and greedy algorithm. Design/methodology/approach - Buckyball, C60, is composed of sixty equivalent carbon atoms arranged as a highly symmetric hollow spherical cage in the form of a soccer ball. At first, Wiener, hyper-Wiener, Harary and reciprocal Wiener indices were computed using dynamic programming and presented them as: W(Buckyball) = 11870.4, WW(Buckyball) = 52570.9, Ha(Buckyball) = 102.2 and RW(Buckyball) = 346.9. The polynomials of Buckyball, Hosoya and hyper-Hosoya, which are in relationship with Buckyball s indices, have also been computed. The relationships between Buckyball s indices and polynomials were then computed and demonstrated a good agreement with their mathematical equations. Also, a graph algorithm based on greedy algorithms was used to find some optimal electronic aspects of Buckyball s structure by computing the Minimum Weight Spanning Tree (MWST) of
Buckyball.

UR - http://www.emeraldinsight.com/products/journals/journals.htm?id=compel

U2 - 10.1108/03321641211200491

DO - 10.1108/03321641211200491

M3 - Article

SN - 0332-1649

VL - 31

SP - 387

EP - 400

JO - COMPEL - the International Journal for Computation and Mathematics in Electrical and Electronic Engineering

JF - COMPEL - the International Journal for Computation and Mathematics in Electrical and Electronic Engineering

IS - 2

ER -