EFFECT OF ADSORPTION OF EAM METAL ATOMS ON THE STRUCTURE OF A SODIUM-ALUMINO SILICATE GLASS-SURFACE - A MOLECULAR-DYNAMICS SIMULATION

The simulation of the deposition of model platinum atoms onto a sodium -alumino silicate glass surface was performed using classical molecula r dynamics computer simulations. In order to more accurately simulate adatom/adatom atomic interactions, embedded atom method (EAM) potentia l functions for Pt were used, Results obtained herein are compared to a previous publication where a Lennard-Jones potential was used for ad atom/adatom interactions. Similarities with the previous results were observed in the structural shifts of the NAS glass despite the differe nt potentials for the adsorbate atoms used in this simulation. There i s, however, a difference observed between the degree of metal penetrat ion into the glass and the behavior of Na ions during the deposition f or the different adatom/adatom potentials.