论文信息 - NpT‐Ensemble Monte Carlo Calculations for the Hard‐Disk Fluid

NpT‐Ensemble Monte Carlo Calculations for the Hard‐Disk Fluid

The NpT‐ensemble Monte Carlo method previously described, in which the hard‐disk interaction is represented by a soft pseudopotential in a reduced configuration space with a fixed periodic enclosure, is used to calculate the equation of state and radial distribution function in the high‐density fluid phase. The equation of state agrees within statistical error with the (3, 3) Pade approximant to the six‐term virial expansion and, for large enough systems, with Salsburg's analysis of the N dependence. The results also agree with recent Monte Carlo calculations by Chae, Ree, and Ree using the NVT ensemble. Some qualitative results for systems of 48 and 90 disks which lend further support to the now‐accepted presence of a solid–fluid phase transition are also presented.

W. W. Wood

[1] B. Alder,et al. Studies in Molecular Dynamics. IV. The Pressure, Collision Rate, and Their Number Dependence for Hard Disks , 1967 .

[2] F. Ree,et al. Radial Distribution Functions and Equation of State of the Hard‐Disk Fluid , 1969 .

[3] John S. Rowlinson,et al. Physics of simple liquids , 1968 .

[4] B. Alder,et al. Phase Transition in Elastic Disks , 1962 .

[5] G. Marsaglia. Random numbers fall mainly in the planes. , 1968, Proceedings of the National Academy of Sciences of the United States of America.

[6] W. G. Hoover,et al. Seventh Virial Coefficients for Hard Spheres and Hard Disks , 1967 .

[7] William G. Hoover,et al. Melting Transition and Communal Entropy for Hard Spheres , 1968 .

[8] W. W. Wood. Monte Carlo Calculations for Hard Disks in the Isothermal‐Isobaric Ensemble , 1968 .

[9] Fred Lado,et al. Equation of State of the Hard‐Disk Fluid from Approximate Integral Equations , 1968 .

[10] W. G. Hoover,et al. Use of Computer Experiments to Locate the Melting Transition and Calculate the Entropy in the Solid Phase , 1967 .