Hello. Recently I read an article that I'm now trying to reproduce the results, here is the simulation part I'm looking to have the code on the lammps suitable to get the results presented on the article. 'Starting from a cubic atomic arrangement, the system was heated to 2500 K and equilibrated for 1 ns (with a time step of 1 fs) under pres- sures ranging from 0 to 25 GPa. Keeping the constant pressure, the liquid iron was quenched to 300 K at a cooling rate of 1 × 10 13 K/s. Then,the applied pressures (5, 10, 15, and 20 GPa, respectively) were released and the system was relaxed for 2 ns at 300 K. The final atomic structures in the systems are characterized by the pair distribution function (PDF),coordination number (CN) analysis and Voronoi tessellation analysis [35]. After the formation of glassy models, compression tests were carried out at 300 K by shrinking the box size along x-axis at strain rate 1.0 × 10 10 s −1 . Similarly, periodic boundary conditions are imposed in three directions during the compression processes.' How can I change pressure into the simulation by lammps and how can I shrink the box at that strain rate ?
I am waiting for your suggestions .
Here you will find the article.