Molecular dynamics studies of silica wafer bonding

Molecular dynamics simulations are performed to investigate the atomic proc esses initiated by the adhesion of two silica surfaces, which are covered w ith adsorbates of oxygen, hydrogen or water molecules. The calculations des cribe the mechanism of hydrophilic silicon wafer bonding in terms of empiri cal potentials assumed. The challenge of the macroscopically relevant compu tations is to understand and to predict the formation of covalent bonds as a function of initial silica structures, external forces, adsorbates, and a nnealing temperatures applied. (C) 1999 American Institute of Physics. [S00 21-8979(99)04005-0].