March 21, 2013

Speaker: Dr. Chandra Veer Singh, University of Toronto

Title: Multi-scale Modelling Of Materials - Application to Aerospace and Energy

Abstract: Materials technology has driven the advancement of human civilization throughout our history. In this century, we are faced with increasing energy demand while minimizing its environmental impact. In order to meet these goals, we need to develop novel materials that are stronger, lighter, durable and multi-functional. Past few decades of materials research have brought forward a plethora of new materials with fascinating properties. However, in real applications these materials fail far below their intrinsic limits. Computational Materials Science (CMS) can bridge this gap and by developing a more fundamental understanding of deformation and failure in novel materials, minimizing the expensive and time consuming laboratory testing, and better quantify uncertainty. This can eventually lead to more efficient, sustainable and cost-effective designs.

In this talk, we will showcase computational approaches to improve upon materials technology related to aerospace and energy fields. First, we will develop an atomistics based multi-scale model to predict strength and fracture toughness in aerospace grade Al-Cu alloys. The importance of atomic level understanding of dislocation-precipitate interactions will be highlighted. By analyzing the sources for discrepancy between our predictions and experiments, this work aims to better illuminate the current state of physics-based materials modelling and highlight the challenges that remain. In the second half of our talk, we will describe computational design of materials for sustainable energy