Computational Materials Group: Research Projects

The research activities in the Computational Materials Group are focused on the development of new computational approaches for materials modeling and application of these approaches for numerical and theoretical analysis of the dynamic non-equilibrium processes in materials undergoing processing by short laser pulses, investigation of the microscopic mechanisms of phase transformations, properties of nanostructured and non-crystalline materials.

Current projects include: Computer modeling of laser interaction with metals and organic materials: melting and rapid resolidification, photomechanical spallation, and massive material ejection (ablation) Development of a model for computational investigation of matrix-assisted pulsed laser evaporation (MAPLE) technique for deposition of polymer and nanocomposite thin films (collaboration with James M. Fitz-Gerald) Computational investigation of the mechanisms of nanoparticles generation in laser ablation (collaboration with Laboratory of Lasers, Plasmas & Photonic Processing (LP3), CNRS, Marseille, France) Investigation of ionization mechanisms in MALDI mass spectrometry (collaboration with Richard Knochenmuss, Novartis, Switzerland) Computational study of processes leading to self-assembly of Ge islands on FIB patterned Si surface (part of UVa MRSEC) Computational study of the thermal spike model for sputtering (collaboration with Robert E. Johnson) Development of computational models for investigation of the nanomechanics of polymeric/biological nanofibers and fibrous materials (collaboration with Ioannis Chasiotis, UIUC) Design of a combined hydrodynamic - molecular dynamics model for simulation of laser - materials interactions

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Last updated - August 1st, 2005