Abstract
We use an Evans-Gillan driving forceF d, together with isokinetic and isoenergetic constraint forcesF c, to drive steady heat currents in periodic systems of 4 and 32 hard spheres. The additional driving and constraint forces produce curved trajectories as well as additional streaming and collisional contributions to the momentum and energy fluxes. Here we develop an analytic treatment of the collisions so that the simulation becomes approximately ten times faster than our previous numerical treatment. At low field strengthsλ, forλσ less than 0.4, whereσ is the hard-sphere diameter, the 32-sphere conductivity is consistent with Alder, Gass, and Wainwright's 108-sphere value. At higher field strengths the conductivity varies roughly asλ 1/2, in parallel with the logarithmic dependence found previously for three hard disks.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
S. Chapman and T. G. Cowling,The Mathematical Theory of Non-Uniform Gases (Cambridge University Press, 1970).
B. J. Alder and T. E. Wainwright,J. Chem. Phys. 33:1439 (1960).
B. J. Alder, D. M. Gass, and T. E. Wainwright,J. Chem. Phys. 53:3813 (1970).
W. G. Hoover and B. J. Alder,J. Chem. Phys. 46:686 (1967).
W. G. Hoover and F. H. Ree,J. Chem. Phys. 49:3609 (1968).
H. S. Kang, C. S. Lee, T. Ree, and F. H. Ree,J. Chem. Phys. 84:4547 (1986).
W. G. Hoover,Phys. Today 37:44 (1984).
D. J. Evans and W. G. Hoover,Anna. Rev. Fluid Mech. 10:243 (1986).
D. J. Evans,Phys. Lett. 91A:457 (1982).
M. Dixon and M. J. Gillan,J. Phys. C 16:869 (1983).
W. G. Hoover, B. Moran, and J. Haile,J. Stat. Phys. 37:109 (1983).
W. G. Hoover, G. Ciccotti, G. Paolini, and C. Massobrio,Phys. Rev. A 32:3765 (1986).
W. G. Hoover and K. W. Kratky,J. Stat. Phys. 42:1103 (1986).
W. G. Hoover,J. Stat. Phys. 42:587 (1986).
K. W. Kratky,Phys. Rev. A 31:945 (1985).
K. W. Kratky, unpublished results.
J. J. Erpenbeck and W. W. Wood, inStatistical Mechanics, Part B, Bruce J. Berne, ed. (Plenum Press, New York, 1977).
R. Grover, W. G. Hoover, and B. Moran,J. Chem. Phys. 83:1255 (1985).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Kratky, K.W., Hoover, W.G. Hard-sphere heat conductivity via nonequilibrium molecular dynamics. J Stat Phys 48, 873–900 (1987). https://doi.org/10.1007/BF01019700
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF01019700