Implementation of consistent embedding for a larger system-Amorphous silica

Krishna Muralidharan; Aditi Mallik; Keith A Runge; P. A. Deymier

doi:10.1007/s10820-006-9015-z

Implementation of consistent embedding for a larger system-Amorphous silica

Krishna Muralidharan, Aditi Mallik, Keith A Runge, P. A. Deymier

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1 Scopus citations

Abstract

We examine the performance and behavior of the consistent embedding multi-scale simulation techniques described in the preceding article. The test is bulk amorphous silica, primarily in the small-strain regime. We also examine some practical issues that arise when the technique is used to model mechanical failure. For context, we present results of classical molecular dynamics simulations of fracture mechanisms of amorphous silica.

Original language	English (US)
Pages (from-to)	61-73
Number of pages	13
Journal	Journal of Computer-Aided Materials Design
Volume	13
Issue number	1-3
DOIs	https://doi.org/10.1007/s10820-006-9015-z
State	Published - Oct 2006

ASJC Scopus subject areas

General Materials Science
Computer Science Applications
Computational Theory and Mathematics

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abstract = "We examine the performance and behavior of the consistent embedding multi-scale simulation techniques described in the preceding article. The test is bulk amorphous silica, primarily in the small-strain regime. We also examine some practical issues that arise when the technique is used to model mechanical failure. For context, we present results of classical molecular dynamics simulations of fracture mechanisms of amorphous silica.",

author = "Krishna Muralidharan and Aditi Mallik and Runge, {Keith A} and Deymier, {P. A.}",

note = "Funding Information: This work was supported in part by the U.S. National Science Foundation under ITR award DMR-0325553.",

year = "2006",

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AU - Mallik, Aditi

AU - Runge, Keith A

AU - Deymier, P. A.

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AB - We examine the performance and behavior of the consistent embedding multi-scale simulation techniques described in the preceding article. The test is bulk amorphous silica, primarily in the small-strain regime. We also examine some practical issues that arise when the technique is used to model mechanical failure. For context, we present results of classical molecular dynamics simulations of fracture mechanisms of amorphous silica.

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Implementation of consistent embedding for a larger system-Amorphous silica

Abstract

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