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[lammps-users] fix heat for thermal conductivity
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[lammps-users] fix heat for thermal conductivity


From: "??????" <869488901@...1204...>
Date: Thu, 31 Aug 2017 19:22:42 +0800

Dear Lammps users:
    I am using fix heat command to calculate thermal conductivity, and I have some questions about this command.
    This is part of my in file:
                                       fix             hot all heat 10 2 region hot
                                       fix             cold all heat 10 -2 region cold
                                       run             2000000
    And I calculate thermal conductivity with  equation, K = ??/(Area*temperature gradient), the units of ??is W, and timestep is 0.0005ps. "2" means rate of heat addition or subtraction is 2eV/ps, and total time is 2000000*0.0005ps=1000ps, so the total energy that add to the group is 2*1000eV.And then ??=(2000*1.602*10^(-19)J) /(1000*10^(-12)s)=3.204*10^(-7)W.
    Am I right?

    Best regards!
    NCM.