Computational Materials Modelling Using LAMMPS: Lead(Pb)
Showing posts with label Lead(Pb). Show all posts
Showing posts with label Lead(Pb). Show all posts

Finding state of a material using molecular dynamics method: Liquid

 In this blog, I will be showing how to check whether a given material at a given temperature is solid or not. For this, I am using Lead(Pb) as the material and the temperature to be around 1250K.


Input script

units metal 

boundary p p p

atom_style atomic #<What style of atoms is to be used in the simulation>

#================================================

region forbox block 0 49.508 0 49.508 0 49.508 units box

create_box 1 forbox