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Molecular static simulations of ferroelectric material hysteresis behaviour
Author(s) -
Endres Florian,
Steinmann Paul
Publication year - 2014
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201410192
Subject(s) - hysteresis , molecular dynamics , ferroelectricity , nonlinear system , truss , materials science , finite element method , computer science , statistical physics , structural engineering , physics , engineering , chemistry , computational chemistry , condensed matter physics , optoelectronics , quantum mechanics , dielectric
The present contribution deals with molecular static modelling and the simulation of ferroelectric material hysteresis behaviour. Therefore the core‐shell model is implemented in a molecular static algorithm. Moreover the algorithm is implemented as a finite element method for nonlinear trusses. Thereby the computational costs are reduced significantly compared to molecular dynamics. (© 2014 Wiley‐VCH Verlag GmbH & Co. KGaA, Weinheim)