Computer simulation of obtaining thin films process technology using a new kind of pair interaction potential for atoms with covalent bond

摘要

Today the computer simulation is one of powerful tool for synthetic and optimization of processes in the tasks of nanotechnology to get high quality of product. In spite of two big approaches of computer simulation the main part of their using in large range of tasks is a “top-down” approach nowadays. In this article we will show the description and apply of new one of pair interaction potential for atoms with covalent bond in simulation of obtaining thin films process technology. Based on the specific of atomic orbital for anisotropic bonding a new model of an atom and interatomic interaction of bonding were created. In this work the results of computer simulation were shown, as well as limitations of the new given algorithm and a discussion of it.