Large-Scale Atomistic Modeling of Semiconductors and Ceramics; a United States-Israel Binational Science Foundation (BSF) Project
The field of computational atomistic modeling is a research area of
considerable importance and interest. In particular, the quantitatively
accurate atomistic modeling of solids is no longer a dream, but a rapidly
developing discipline with many practical applications. In this project we
plan to use various kinds of molecular dynamics and Monte Carlo simulation
techniques to explore a range of phenomena associated with semiconductors
and ceramics.
The kinds of behavior that will be studied include the interfaces in
mixtures of silicon, germanium and carbon, and the processes responsible
for generating defects and the subsequent graphitization of diamond; the
complexity of these phenomena is such that a detailed atomistic modeling
approach is essential. The simulations will be closely coordinated with
ongoing experimental studies. Because of the heavy computational
requirements and the detailed data analysis involved, the work entails the
development of algorithms to support parallel processing together with
specialized visualization techniques.
