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General Questions and Answers / Re: Thermal Conductivity Simulation.
« on: March 17, 2016, 03:18 »
I should use the method in the link. You are a lifesaver,thank you.
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General Questions and Answers / Thermal Conductivity Simulation.
« on: March 15, 2016, 19:32 »
I am trying to calculate the thermal conductivity of a Silver interface using a 100 grain and a 110 grain. The potential I am using for the calculation is the 2011 Sheng. Before trying silver, I did the thermal conductivity simulation in the tutorial for silicon and arrived at the published value. For silver I am getting a thermal conductivity several orders of magnitude smaller than the published value. I also get 0.0006 for <dq/dt>. Does ATK classical work well for metals when it come to thermal conductivity? Is the 2011 Sheng potential appropriate for this type of calculation? Is there any parameters in the calculation that need adjusted for the simulations? Thank you in advance.
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