Molecular static simulations of ferroelectric material hysteresis behaviour
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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)
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