Modeling the Deformation of Engineered Nano-Layered Structures by Computer Simulations
Final technical rept. 3 Jan 2003-31 Dec 2006
CALIFORNIA UNIV LOS ANGELES SCHOOL OF ENGINEERING AND APPLIED SCIENCE
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We developed here fundamental models of plasticity, based on dislocation dynamics and atomistic computer simulation methods for the prediction of the strength and plastic deformation at the nano-to-micro-length scales. The models are applied to the simulation of plastic flow in ultra-strong nano-laminates. The developed methods are 1 An ab-initio based hybrid approach based on an extension of the parametric dislocation dynamics DD to bi-materials where the dislocation spreading over the interface is explicitly accounted 2 a hybrid ab initio-discrete dislocation dynamics model to study the core structure in straight and curved dislocations, with application to single layers and across material interfaces 3 Molecular dynamics MD modeling of dislocation motion and deformation in nano-layered composite materials and twins and 4 Dislocation Dynamics DD modeling of dislocation motion and deformation modes of anisotropic, nano-layered composite materials.
- Computer Programming and Software