Computational Mechanics & Materials Group

Led by faculty member Derek Warner, the Computational Mechanics & Materials Group combines scientific supercomputing with concurrent multi-scale modeling to bridge length and time scales: from the subatomic to the macroscopic. The group is made up of seven other members including: Linh Nguyen, Kris Baker, Geoff Bomarito, Rick Zamora, Kelvin Leung, Kevin Muich, and Bassel Khoury.

The group's research is centered around five focus areas:

1) Atomistic reaction rate predictions of deformation and failure processes
2) Extended time scale atomistic simulations of crack-tip processes
3) Development and application of a coupled multiscale Density Functional Theory Discrete Dislocation Dynamics simulation framework
4) Modeling of dynamic fragmentation events
5) Application of 3D finite element modeling to problems involving large deformations and remeshing


Their research is aimed at understanding the connection between microscopic physical phenomena and the macroscopic deformation and failure of engineering materials by coupling cutting-edge computing technologies with state-of-the-art simulation techniques. Within this theme, current research efforts involve: (1) the use of atomistic and discrete dislocation modeling to better understand the mechanisms that control the failure of structural materials, (2) the use of micromechanical continuum finite element modeling to uncover the connections between nano-scale mechanical processes and macroscopic behavior, and (3) the advancement of the methods that make such studies possible.

Computational Mechanics & Materials Group