Hard-sphere heat conductivity via nonequilibrium molecular dynamics

Journal Article · Sat Aug 01 04:00:00 EDT 1987 · J. Stat. Phys.; (United States)

DOI:https://doi.org/10.1007/BF01019700· OSTI ID:6269337

Kratky, K W; Hoover, W G

We use an Evans--Gillan driving force F/sup //sup d/, together with isokinetic and isoenergetic constraint forces F/sup //sup 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 strengths lambda, for lambdasigma less than 0.4, where sigma 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 as lambda/sup 1/2/, in parallel with the logarithmic dependence found previously for three hard disks.

• Research Organization: Institut fuer Experimentalphysik, Universitaet Wien, A-1090 Wien, Austria
• OSTI ID: 6269337
• Journal Information: J. Stat. Phys.; (United States), Journal Name: J. Stat. Phys.; (United States) Vol. 48:2; ISSN JSTPB
• Country of Publication: United States
• Language: English

Related Subjects

657000* -- Theoretical & Mathematical Physics
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
ANALYTICAL SOLUTION
COLLISIONS
HARD-SPHERE MODEL
HEAT FLOW
HEAT FLUX
PHYSICAL PROPERTIES
THERMAL CONDUCTIVITY
THERMODYNAMIC PROPERTIES