Abstract
Two nonequilibrium methods for simulating homogeneous periodic heat flow are applied to 108 three-dimensional soft spheres in both the fluid and face-centered cubic solid phases. Both nonequilibrium methods use irreversible thermodynamics to express heat conductivity in terms of the work required to generate heat flow. The Evans-Gillan method, derived from Green-Kubo theory, correctly reproduces Ashurst's heat conductivities. An approach based on Gauss' principle of least constraint, in which the heat flow is constrained to a fixed value, fails this test. Heat flow is an inhomogeneous, nonlinear function of particle velocities and coordinates. Thus, Gauss' principle cannot be relied upon for treating inhomogeneous nonlinear nonholonomic constraints.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
