An ISODATA Approach to the Estimation of Atomistic Definition for Continuum Stress
Du Baolei, Qi Fei Jian · Materials science forum · 2017
The atomic stress tensor at a given continuum point is a spatial average value of some volume near the point. Recent progresses in multiscale modeling include the dealing of the optimal number and the size of these volumes. In this paper, we motivate the application of Iterative self-organizing data analysis technique algorithm to estimate volume numbers. The size of these space averaging volumes then could be got using Gaussian mixture model. Reduced computation complexity is offered by this method. Atomistic simulations are conducted to analyze the stress of a stone-wales defect graphene sheet to validate the method. Other multiscale values could also be determined using this method.