[G] Computational Materials Science and Data Science

10:00 AM - 10:15 AM JST(1:00 AM - 1:15 AM UTC)

[285] Coarse graining operations in multiscale calculations

○Tetsuo Mohri¹ (1. Hokkaido University)

Keywords:

First-principles CVM＋PFM,Coarse graining operation,Limit transition

The objective of the present work is to compare the first principles CVM+PFM calculation with "Limit transition" proposed by Khachaturyan and discuss the coarse graining operations