A B.F.S. Method Survey of Surface and Interfacial Properties of Multicomponent Metallic Systems

Abstract

ABSTRACTComputer modeling of atomic processes on surfaces and bulk materials has seen noticeable growth due to the availability of new, powerful semiempirical techniques that provide both the numerical simplicity, physical foundation and computational efficiency necessary for the study of complex systems. In an attempt to partially summarize the current status of this work, we apply one of these techniques, the BFS method for alloys, to the study of several basic topics in surface structure and analysis: surface energies of alloy surfaces, multilayer relaxation of ordered alloy surfaces, temperature-dependent segregation profiles, surface alloying and thin film growth of multicompo-nent systems.