Numerical Analysis of the Blended Quasicontinuum Method
Brian Van Koten (UCLA), Christoph Ortner (University of Warwick), Mitchell Luskin ()
From Atomistics to Reality: Spanning Scales in Simulations and Experiments Symposium B
Wed 3:10 - 4:30
CIT 165
The energy-based Blended Quasicontinuum method (BQCE) is an atomistic-to-continuum coupling used to simulate defects such as cracks and vacancies in crystalline materials. I will present a numerical analysis of BQCE. I will then explain how the analysis can be used to choose optimal approximation parameters for the implementation of BQCE. I will also explain how the analysis leads to novel continuum models which can be used in versions of BQCE for materials which have multi-lattice structure.