Recent Progress in Multi-scale Modeling at the Intersection of Ab-initio Methods, Mechanics and Mathematics

Vikram Gavini, University of Michigan
Phanish Suryanarayana, Georgia Institute of Technology
Amartya S Banerjee, University of Minnesota

This symposium aims to bring together researchers involved in developing mathematical formulations and computational methods which aid the understanding of atomistic and mesoscopic underpinnings of materials behavior at macroscopic scales. Areas of interest include, but are not limited to

(i) Consistent mathematical formulations for spatial and temporal coarse-graining of ab-initio and atomistic calculations.

(ii) Mathematics of microstructure evolution, and recent progress is computational methods such as cluster Hamiltonian methods, phase field crystal formulations and classical density functional theory

(iii) Recent progress in mesoscale methods including dislocation dynamics and statistical methods for mesoscale physics

(iv) Simulations (ab-initio, atomistic, mesoscale) aiding the understanding of defect nucleation, kinetics and evolution, and their role in governing the macroscopic materials behavior