The optimum cut-off radius in Monte Carlo simulation of Yukawa potential point particles

Frontiers in Theoretical and Applied Physics/UAE 2017

Suwan, I.^1 ; Hussein, H.^1 ; Hussein, A.^2 ; Daragmeh, M.^1

Department of Mathematics and Statistics, Arab American University, Jenin, Palestine^1

Department of Physics, Arab American University, Jenin, Palestine^2

关键词: Infinite system;    Monte Carlo techniques;    Periodic boundary conditions;    Physical behaviors;    Point particle;    Three dimensions;    Total potential energy;    Yukawa potentials;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/869/1/012054/pdf
DOI  :  10.1088/1742-6596/869/1/012054

来源: IOP

【 摘 要 】

In this paper, infinite systems of point particles with Yukawa potential and periodic boundary conditions are simulated using Monte Carlo technique in three dimensions. Because of the short range nature of the Yukawa potential, cut-off radius rcutis considered in calculations (i.e, for each particle i, the effect of the other particles on it inside a sphere of radius rcutis taken into account). The cut-off radius used in Monte Carlo simulation affects the physical behavior of the system being simulated. A sequence of rcutvalues are used. When the change in the total potential energy becomes negligible, the optimum value of the cut-off radius is determined. This value is found to be independent of density and temperature in the NVT-ensemble case.