ANEW, EFFECTIVE METHOD FOR COMPUTING THE INTERACTION POTENTIAL OF HARD CYCLIC MULTIMER SYSTEMS

TASK Quarterly

MIKOŁAJ BILSKI¹ 

[1] Poznan University of Technology, Faculty of Technical Physics;

关键词: hard cyclic multimer;    hard potential;    computer simulation;    Monte Carlo method;   

DOI  :  10.17466/TQ2015/19.1/A

来源: DOAJ

【 摘 要 】

Studies of efficiency of several methods for calculating the interaction potential of a pair of two-dimensional hard cyclic multimers – molecules formed by hard disks (atoms) placed at the vertices of a regular polygon – are reported in this work. Such hard-body particles, known as hard cyclic multimers, constitute a class of important reference systems in modeling structural and thermodynamic properties of molecular systems. A new method is proposed which can be easily implemented to Monte Carlo simulations of two dimensional cyclic multimers and which is faster than the fastest method used previously.

【 授权许可】

Unknown