Research Projects

Fundamental Atomistic Studies of Solid State Aggregation Phenomena. Our work in this area is concerned with the study of basic mechanisms of diffusion, reaction, and aggregation in complex environments such as external fields and compositional variations. We use multiscale computional techniques to isolate the basic phenomenology of nucleation and growth, which is then used to develop predictive models in systems of technological and scientific interest.

Novel Multiscale Simulation Development: Extending the scope of atomic-scale simulations is a critically important goal because these types of simulations are required to fully understand the mechanisms responsible for the formation of many interesting nanoscale phenomena such as quantum dots, precipitate ordering, and mechanical fracture. Our research program in this area has been focused on the development of dual-resolution MD simulations in which only a (variable) fraction of the atoms in the system are fully considered.

Systems-Level Modeling of Defect Formation in Silicon (and Silicon-Alloy) Materials Processing: The object of our effort in this area is to develop process scale models for microstructural evolution during the growth and thermochemical processing of silicon (and related materials). In this area of research we collaborate closely with industry to take advantage of the enormous experimental database avaliable for model validation and testing. These models are subsequently used by industry to optimize existing processes and identify new ones.

Directed Assembly in Hard and Soft Materials: The ability to spatially order a distribution of self-assembled nano- and micro-sized clusters to a high degree of perfection remains elusive in most systems of technological interest. The aim of this project is to investigate avenues for achieving spatial order in both crystalline atomic and colloidal systems. Both experimental and theoretical approaches are combined through a multi-investigator collaborative effort.