Dear LAMMPS users,
I am a new worker in the field of molecular dynamics. In fact I am yet to download and install the source code. However, before starting I would like to know if the following problem can be addressed using LAMMPS.
I have a system with a combination of ions, say Cs+, Cl- and an actinide ions, say U3+ at high temperature , say 1000 K.
So, basically we have a combination of two ionic solids; namely CsCl and UCl3. Now, I use a composition X(UCl3)=0.50 X(CsCl)=0.50.
I want to calculate the enthalpy of mixing of these salts at 1000 K. Can this problem be addressed using LAMMPS?
With the best regards