Understanding temperature and chemical potential using computer simulations

American Journal of Physics

Volumn 73, Issue 8, 2005, Pages 708-716

  Tobochnik, Jan ^a   Gould, Harvey ^b   Machta, Jonathan ^c  

^a KALAMAZOO COLLEGE   (United States)

^b CLARK UNIVERSITY   (United States)

^c UNIVERSITY OF MASSACHUSETTS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 25144466558     PISSN: 00029505     EISSN: None     Source Type: Journal    
DOI: 10.1119/1.1834923     Document Type: Article

References (13)

1. Ralph Baierlein, "The elusive chemical potential," Am. J. Phys. 69, 423-434 (2001).
2. See also Ralph Baierlein, Thermal Physics (Cambridge University Press, Cambridge, UK, 1999).
3. Michael Creutz, "Microcanonical Monte Carlo simulation," Phys. Rev. Lett. 50, 1411-1414 (1983).
4. Harvey Gould and Jan Tobochnik, An Introduction to Computer Simulation Methods, 2nd ed. (Addison-Wesley, Reading, MA, 1996). This text discusses various Monte Carlo algorithms including the demon and Metropolis algorithms.
5. The Monte Carlo Method in the Physical Sciences: Celebrating the 50th Anniversary of the Metropolis Algorithm, edited by James E. Gubernatis (AIP Conference Proceedings, Melville, NY, 2003), Vol. 690.
6. If the demon energy is not continuous, then the initial demon energy should be consistent with the possible energies of the demon.
7. -βE d=kT if the possible demon energies are continuous. The upper bound can be taken to be infinite even though the total energy in our simulations is finite because the high energy states contribute a negligible amount to the integral.
8. d〉 ≠ kT except in the limit of high temperature.
9. See, for example, Daan Frenkel and Berend Smit, Understanding Molecular Simulation (Academic, San Diego, 1996).
10. The original paper is B. Widom, "Some topics in the theory of fluids," J. Chem. Phys. 39, 2802-2812 (1963).
11. e/kT).
12. See, for example, David L. Goodstein, States of Matter (Dover, Mineola, NY, 1985), p. 18.
13. See, for example, Dan Schroeder, An Introduction to Thermal Physics (Addison-Wesley, Reading, MA, 2000).