中国物理B ›› 2017, Vol. 26 ›› Issue (3): 30501-030501.doi: 10.1088/1674-1056/26/3/030501
Rapidly calculating the partition function of macroscopic systems
Jing-Tian Li(李菁田), Bo-Yuan Ning(宁博元), Le-Cheng Gong(龚乐诚), Jun Zhuang(庄军), Xi-Jing Ning(宁西京)
- 1 Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China;
2 Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
Rapidly calculating the partition function of macroscopic systems
Jing-Tian Li(李菁田)1, Bo-Yuan Ning(宁博元)2, Le-Cheng Gong(龚乐诚)1, Jun Zhuang(庄军)2, Xi-Jing Ning(宁西京)1
- 1 Institute of Modern Physics, Department of Nuclear Science and Technology, Fudan University, Shanghai 200433, China;
2 Department of Optical Science and Engineering, Fudan University, Shanghai 200433, China
摘要：
It has remained an open problem to accurately compute the partition function of macroscopic systems since the establishment of statistical physics. A rapid method approaching this problem was presented and was strictly tested by molecular dynamic (MD) simulations on Ar atoms in both dense gaseous and liquid states. The outcomes from the method on the internal energy and the work of isothermal expansion (and therefore the free energy) are in good agreement with the MD simulations, suggesting the method would be immediately applied in vast areas.
中图分类号: (Classical ensemble theory)
- 05.20.Gg