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 -