Structure and dynamics of material surfaces, interphase-interfaces and finite aggregates, Progress report, November 1, 1994--October 31, 1995

摘要

The focus of the research program supported by this grant is the formulation, development, implementation and application of modeling strategies and large-scale computer simulation methods for studies of critical issues in three main areas: (1) Physical and chemical properties of atomic and molecular clusters and the origins of size-evolutionary patterns of materials properties; charging and fission of atomic and molecular clusters-energetics, geometry, and electronic structure of metallic, ionic and semi-conductor clusters; cluster collisions and cluster reactions; metal-insulator transitions in finite systems; and nanocluster assemblies. (2) Tribological Interactions, Nanomechanics, Thin Film Lubrication, and dynamical and rheological properties of thin films of complex molecular liquids. (3) Surface processing, the stablity of nanostructures on surfaces, the mechanical and electric properties of interfacial junctions, and the electric, magnetic and spectroscopic properties of nano- and micro-structures, such as dots, antidots and point-contacts. During the current report period research efforts were aimed toward the above objectives.