Evaluation of thermal conductivity by using Non-Equilibrium MD
22
Jul
| Thermal conductivity of water, epoxy resin and PMMA was evaluated by a series of VSOP (Molecular Dynamics : MD) calculation and Python scripts (Non-Equilibrium MD). Simulation box was divided into some slabs and a center slab was kept low temperature ,and end slabs were kept high temperature by using velocity scaling method. Thermal conductivity was calculated by obtained temperature gradient and heat flux. |
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Calculated thermal conductivity
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Average temperature of each slab
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