On molecular statics simulations of ferroelectric functional materials

Conference contribution
(Conference Contribution)


Publication Details

Author(s): Steinmann P, Endres F
Editor(s): GAMM
Publisher: wiley
Publishing place: Weinheim
Publication year: 2015
Conference Proceedings Title: Proceedings in Applied Mathematics and Mechanics
Pages range: 15-18
ISSN: 1617-7061
Language: English


Abstract


The simulation of ferroelectric materials on the atomistic length scale is getting more and more important due to recent advancements in related manufacturing technologies. Therefore, we present an extended molecular statics algorithm in order to not only compute equilibrium configurations efficiently but also to consider the deformation of a discrete particle system due to macroscopic stress. Furthermore, we discuss the impact of mechanical stress and strain on the spontaneous polarization and the magnitude of the coercive field of a ferroelectric barium titanate system.



FAU Authors / FAU Editors

Steinmann, Paul Prof. Dr.-Ing.
Lehrstuhl für Technische Mechanik


How to cite

APA:
Steinmann, P., & Endres, F. (2015). On molecular statics simulations of ferroelectric functional materials. In GAMM (Eds.), Proceedings in Applied Mathematics and Mechanics (pp. 15-18). Lecce, Italy, IT: Weinheim: wiley.

MLA:
Steinmann, Paul, and Florian Endres. "On molecular statics simulations of ferroelectric functional materials." Proceedings of the 86th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Lecce, Italy Ed. GAMM, Weinheim: wiley, 2015. 15-18.

BibTeX: 

Last updated on 2018-21-10 at 01:20