@inproceedings{673247df584e422f8a34ceacdc450b06,
title = "Consistent embedding: A multi-scale approach to brittle fracture",
abstract = "A method for the construction of multi-scale hierarchies that capture the behavior of more computationally demanding, accurate methods at larger length and longer time scales is presented. Consistent embedding, which provides a framework for building such multi-scale hierarchies is defined and applied to both a serial and concurrent multi-scale illustration. The failure of a 108-atom silica nanorod provides the test example for the consistent embedding hierarchies and it is shown that the concurrently modeled composite system behaves according to the more accurate quantum chemical method. A further illustration of the utility of molecular dynamics is the determination of the initiating event in brittle fracture of amorphous silica.",
keywords = "Consistent embedding, Molecular dynamics, Multi-scale modeling, Quantum chemistry",
author = "K. Runge and K. Muralidharan and P. Deymier",
year = "2011",
language = "English (US)",
isbn = "9781618392619",
series = "Materials Science and Technology Conference and Exhibition 2011, MS and T'11",
pages = "268--275",
booktitle = "Materials Science and Technology Conference and Exhibition 2011, MS and T'11",
note = "Materials Science and Technology Conference and Exhibition 2011, MS and T'11 ; Conference date: 16-10-2011 Through 20-10-2011",
}