Reading this result: Near a target of 120, thermal energy rivals the Lennard-Jones well depth, so the 120-atom lattice loses its order and begins to flow — melting.
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Each pair of atoms interacts via the Lennard-Jones 12-6 potential, integrated with velocity-Verlet in a periodic box using the minimum-image convention. A velocity-rescaling thermostat holds the target temperature. This is the same method used to study diffusion, phase transitions, and material properties from first principles.
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