MONTE-CARLO STUDIES OF EFFECTS OF SUBSTRATE SIZE ON WATER-SUBSTRATE INTERACTION ENERGY AND WAFER STRUCTURE

Water on a planar substrate and on spherical substrates of radii r = 1 0, 15, and 20 Angstrom are studied at temperatures of 200, 240, 270, a nd 290 K by Monte Carlo simulations, The average water-water potential energies and the average water-substrate interaction energies are obt ained by use of the single point charge model for the water-water inte raction and the nonsingular van der Waals potential plus the Born-type repulsive potential for the water-substrate interaction, Water struct ure and water-substrate interaction energy are shown to be sensitive t o substrate cite. (C) 1997 American Institute of Physics.