We have used a simple ionic potential to simulate the melting of KCI pseudo-infinite crystal. Two MD simulations, one with constant Volume and the other with constant pressure condition are performed. These results are compared with the previous micro-sample simulation results. In the constant volume simulation the melting temperature increase substantially with increasing pressure. A method for constant pressure MD simulation of melting is discussed.
Amini, S. M. (1989). Molecular Dynamics Simulation of Potassium Chloride Melting (II. Constant Volume and Constant Pressure Simulation of Filled System). International Journal of Engineering, 2(1), 15-24.
MLA
S. Mohammad Amini. "Molecular Dynamics Simulation of Potassium Chloride Melting (II. Constant Volume and Constant Pressure Simulation of Filled System)". International Journal of Engineering, 2, 1, 1989, 15-24.
HARVARD
Amini, S. M. (1989). 'Molecular Dynamics Simulation of Potassium Chloride Melting (II. Constant Volume and Constant Pressure Simulation of Filled System)', International Journal of Engineering, 2(1), pp. 15-24.
VANCOUVER
Amini, S. M. Molecular Dynamics Simulation of Potassium Chloride Melting (II. Constant Volume and Constant Pressure Simulation of Filled System). International Journal of Engineering, 1989; 2(1): 15-24.