Simulation Of Gas Surface Dynamical Interactions

Download or read book Simulation of Gas-Surface Dynamical Interactions written by and published by . This book was released on 2007 with total page 27 pages. Available in PDF, EPUB and Kindle. Book excerpt: The interaction of atoms and molecule with surfaces is of great technological relevance. Both advantageous and harmful processes can occur at surfaces. If an atom or molecule impinges on a surface, it can either scatter back into the gas phase or become adsorbed on the surface. Molecules can furthermore undergo chemical reactions at the surface. All these processes are accompanied by energy transfer between the impinging projectile and the substrate. The simulation of the dynamics of the gas-surface interaction still represents a considerable challenge since the coupling of a low-dimensional object, the impinging atom or molecule, to the substrate with in principle infinitely many degrees of freedom has to be modeled. Furthermore, depending on the mass of the atom or molecule, quantum e ects both in the molecular motion as well as in the excitation of the substrate have to be taken into account. In this lecture, the quantum and classical methods required for the simulation of gas-surface dynamical interactions will be reviewed. Furthermore, the main processes occuring in the interaction of atoms and molecules with substrates will be illustrated using quantum calculations and classical molecular dynamics simulations.