On an atomistic scale finite element method for the simulation of ferroelectric functional materials
Endres F, Steinmann P (2014)
Publication Language: English
Publication Type: Conference contribution
Publication year: 2014
Pages Range: 17-20
Conference Proceedings Title: Proceedings on 2nd SMMM Conference on Smart Materials
Event location: Bad Honnef, Germany
Abstract
Molecular dynamics (MD) simulations of ferroelectric materials improved over the last decades and are an indispensable tool in order to predict the behaviour of materials on an atomistic level. Especially the core-shell model has been used for the simulation of ferroelectric materials. However the computational costs of MD calculations are significant. In this work molecular statics has been implemented as a finite element method using the core-shell model. For validation of the molecular statics algorithm barium titanate has been simulated. Furthermore periodic boundary conditions have been applied in order to simulate bulk material.
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How to cite
APA:
Endres, F., & Steinmann, P. (2014). On an atomistic scale finite element method for the simulation of ferroelectric functional materials. In Proceedings on 2nd SMMM Conference on Smart Materials (pp. 17-20). Bad Honnef, Germany, DE.
MLA:
Endres, Florian, and Paul Steinmann. "On an atomistic scale finite element method for the simulation of ferroelectric functional materials." Proceedings of the 2nd Seminar on the mechanics of multifunctional materials, Bad Honnef, Germany 2014. 17-20.
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