THEORY, SIMULATION, AND MODELING OF INTERFACES IN MATERIALS-BRIDGING THE LENGTH-SCALE GAP - A WORKSHOP REPORT

The workshop on interfaces in materials-bridging the length-scale gap was held on September 12-15, 1993, at the University of California at San Diego Institute for Mechanics and Materials, La Jolla, CA. This workshop addressed length-scale issues associated with developing a predictive capability for materials whose properties are interface controlled. The goal of this workshop was to identify touch points bridging the various length scales important in materials modeling of systems whose properties are controlled by interfaces. The format of this workshop broke with convention by initiating discussion at the macro scale. Each speaker identified key physical parameters central to their model. Subsequent speakers, in order of decreasing length scale, identified where their model fitted within the context of the larger length scales and which parameters required at the larger length scales can be predicted. The topics that were covered include (1) modeling at the macro scale-phenomenological and finite element, (2) modeling at the micro scale-crystalline effects, (3) modeling and simulation at the atomic scale-interatomic potentials for complex systems, (4) electronic structure calculations-application to interfaces, and (5) critical experiments which serve to validate theoretical models.