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What is MD Simulation of Argon Conductivity about?

This document contains an MD simulation script for calculating the thermal conductivity of argon. The script initializes an FCC lattice of argon atoms in a periodic box and assigns velocities from a Gaussian distribution at 0.71 K. It then equilibrates the system with a Berendsen thermostat. Heat baths are added to hot and cold regions and the temperature difference is measured over time to calculate thermal conductivity.

Author

吳晨維

Language

EN