Electronic materials process modeling

Summary

This report focuses on current needs in the process modeling of materials used in electronic and optoelectronic device fabrication and provides specific recommendations in addressing these needs. The establishment of relationships between materials structure and processing is identified as the critical modeling need in the electronics industry. A hierarchical modeling approach is suggested aiming at the development of efficient and robust process simulators with predictive capabilities and, thus, providing modeling tools for development of optimal materials processing strategies. This approach is based on linking a variety of existing theoretical and computational methods which include: ab initio, semi-empirical, and empirical atomic-scale simulation methods for accurate calculation of materials properties and mechanistic physical understanding; microstructural-scale thermodynamic, transport, and kinetic modeling; and macroscopic process-specific process simulation. Issues of interdisciplinary communication and collaboration and exploratory research for new materials are also addressed.