Endres F, Steinmann P (2013)
Publication Language: English
Publication Type: Conference contribution, Conference Contribution
Publication year: 2013
Publisher: Wiley-VCH Verlag
City/Town: Weinheim
Pages Range: 133-134
Conference Proceedings Title: Special Issue: 84th Annual Meeting of the International Association of Applied Mathematics and Mechanics
URI: http://onlinelibrary.wiley.com/doi/10.1002/pamm.201310062/abstract
The present contribution deals with the atomistic modelling of ferroelectric barium titanate. In this context a core-shell model is implemented in a Molecular Static algorithm. Furthermore, Coulomb forces are simulated by the Wolf summation method in order to allow for a small cut off radius. We discuss the core-shell model, molecular statics as a finite elements approach and present some numerical results.
APA:
Endres, F., & Steinmann, P. (2013). On molecular statics simulation of ferroelectric barium titanate. In Special Issue: 84th Annual Meeting of the International Association of Applied Mathematics and Mechanics (pp. 133-134). Weinheim: Wiley-VCH Verlag.
MLA:
Endres, Florian, and Paul Steinmann. "On molecular statics simulation of ferroelectric barium titanate." Proceedings of the 84th GAMM Annual Meeting Weinheim: Wiley-VCH Verlag, 2013. 133-134.
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