How to simulate a phase transition in Molecular Dynamics?

I am trying to simulate the phase transition for gold and silicon separately using LAMMPS. I got the melting point for gold right using the below code.

units   metal
atom_style      atomic
boundary        p p p
variable        a equal 4.0782

lattice fcc 4.0782
region  box block 0 10 0 10 0 10
create_box      1 box
create_atoms    1 box
mass    1 196.97

pair_style      eam
pair_coeff      * * Au_u3.eam

minimize        1.0e-8 1.0e-8 1000 100000
min_style       cg

timestep 0.001
velocity all create 300.0 454883 mom yes rot yes dist gaussian

thermo  50000
thermo_style    custom step pe ke etotal temp vol press density atoms

fix 1 all press/berendsen iso 0.0 0.0 100.0
fix 2 all nvt temp 300.00 2400.00 1.0

run     10000000


However, when I apply this code to silicon, I don't get the right results. I feel like I am not understanding the code and the physics behind getting a phase transition graph using molecular dynamics. So I guess my request here is if you have recommendations of some papers or books I should read to be able to perform the simulation (phase transition in molecular dynamics). I have browsed through the book " Understanding Molecular Dynamics by Dan Frenkel and Berend Smit", but still I feel like I am missing something.

edited : the output is shown below for both gold and silicon.

• Tried different boundary conditions? – Emil Feb 7 '18 at 6:17
• Show us what you get with gold and what you get with silicon. Give us more details on why do you think that your simulation has failed. – valerio Feb 7 '18 at 9:03
• (An aside: your nvt time constant is about $10\times$ too large) – lemon Feb 7 '18 at 9:26
• @valerio92 the output is shown above, where the in gold the phase transition is shown to be at around 1300 k which is correct and I did calculate the latent heat and was correct too. however, for silicon the melting point was not correct where it was around 2000 k and the correct value is around 1600 k. – phyM Feb 7 '18 at 13:27