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I am doing a molecular dynamics simulation with FCC metals bulks in the NVT ensemble. I have to detect or study the phase-transition from solid to liquid when heating the bulk. I use a Nose-Hoover thermostat with parameters 1.0 and 3.0 ps, and use Quantum Sutton-Chen potential for interaction between the atoms.

My question is, what parameters or properties can I monitor and plot to notice the phase-transition?

I have already plotted the RDF functions according to the temperature, and I see the widening of the peaks when increasing the temperature, but are there any other properties, such as energies, that can tell me about the point of the phase-transition?

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First-order phase transitions (such as moving from solid to liquid), under the Ehrenfest classification, involve a discontinuity in density. You could simply watch the density of the system to indicate a phase transition.

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