Nanomechanical Architecture of Strained Bi-layer Films: from design principles to experimental fabrication.

Description: This combined theoretical and experimental project investigates structural and mechanical properties of strained bi-layer nanoscale thin films for the design and fabrication of novel nanoobjects (e.g., nanotubes, nanorings, nanocoils, etc¡­) Theoretically, it involves first-principles, molecular dynamics and material point method simulations as well as continuum mechanics and variational theory calculations of structure, energy, stress, and dynamics of surfaces, interfaces, and nanoscale thin films; experimentally, it involves microfabrication, epitaxial growth, photolithography, E-beam patterning and characterization of nanoscale thin films and novel nanoobjects.

Growth of Nanostructures on Patterned Substrates.

Description: This theoretical project investigates fundamental growth mechanisms underlying self-assembly/self-organization of nanostructures on patterned substrate. In involves continuum theory and mesoscopic modeling of strain induced morphological instability and nanostructure formation on patterned (curved) substrates, as well as first-principles calculations of thermodynamic and kinetic growth parameters.

Growing Metal and Semiconductor Nanostructures on Molecule Corrals.

Description: This theoretical and computational research program explores a novel approach for growing metal and semiconductor nanostructures using a unique class of templates called molecule corrals. It focuses on three areas: (1) Quantitative determination of the kinetic and thermodynamic growth parameters from first-principles theory; (2) Computer simulation of growth morphology and dynamics inside molecule corrals; (3) Development of fundamental theories of growth modes and nanostructure formation on the molecule-corral templates.

Quantum Dots on Silicon-on-Insulator (QD/SOI): Nanoscale Strain and Band Structure Engineering.

Description: This theoretical project is being carried our in collaboration with an experimental project at university of Wisconsin-Madision. This project investigates novel phenomena of quantum dot (Ge island) growth on ultrathin SOI substrate, a system of tremendous current industrial interest. It involves combined first-principles calculation and continuum modeling to achieve a quantitative understanding of quantum dot formation (self-assembly), as well as molecular dynamics and finite element simulations of strain films on compliant SOI substrate.

Development of In Situ Continuous Intraocular Pressure Monitor for Glaucoma Research and Treatment.

Description: This project develops the prototype of in situ continuous intraocular pressure (IOP) monitoring device for the use of Glaucoma research and treatment.

Fundamental Studies of Catalytic Mechanisms of Oxide Supported Metal Nanoclusters.

Description: This project explores the catalytic activity of the oxide-supported metals at the limit of low coverage of small nanoclusters, using extensive large-scale first-principles surface calculations.

Computational Design and Testing Novel Materials and Devices.

Description: see web page of

Development of computational algorithms for first-principles electronic-structure, molecular dynamics, and transport calculations, as well as for web-based computational interface.