Title: A reduced molecular statics model Speaker: Professor Xiantao Li, Dept of Mathematics, Penn State University Date/Time: Monday, March 28, 2011, 1:30 pm Location: CSRI Building/Room 90 (Sandia NM) Brief Abstract: I will present a reduction method for molecular statics models. The method has been motivated by boundary integral methods for continuum elasticity models. It greatly reduces the dimension of the problem. In particular I will present the method a. as a computational tool to simulate problems with dislocations and cracks. b. as a analytical tool to study the asymptotic displacement field around a crack tip, and interpret the classical Griffith and Irwin's criteria at the atomic level to predict crack initiation.CSRI POC: Rich Lehoucq, 505-845-8929 |