An extended molecular statics algorithm simulating the electromechanical continuum response of ferroelectric materials

DOI10.1007/S00466-014-1072-7MaRDI QIDQ487885zbMATH OpenOpenAlexFDO

Authors F. Endres, Paul Steinmann

Publication date 23 January 2015

Published in Computational Mechanics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s00466-014-1072-7

zbMATH Keywords

ferroelectric materialmolecular staticsbarium titanatecore-shell modelferroelectric hysteresis

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Electromagnetic effects in solid mechanics (74F15) Problems involving hysteresis in solids (74N30)

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Cites work

• scientific article; zbMATH DE number 1102775 (Why is no real title available?)
• A constitutive model for ferroelectric polycrystals
• Comparison of several staggered atomistic-to-continuum concurrent coupling strategies
• Computational modeling of domain wall interactions with dislocations in ferroelectric crystals
• Continuum thermodynamics of ferroelectric domain evolution: theory, finite element implementation, and application to domain wall pinning
• Ferroelectric and ferroelastic piezoceramics -- modeling of electromechanical hysteresis phenomena.
• Modeling materials. Continuum, atomistic and multiscale techniques.
• Nichtlineare Finite-Element-Methoden
• On (Andersen-)Parrinello-Rahman molecular dynamics, the related metadynamics, and the use of the Cauchy-Born rule
• On higher gradients in continuum-atomistic modelling.
• On the Cauchy—Born Rule
• On the physical interpretation of material parameters in phase field models for ferroelectrics

Cited in

(1)

• Molecular statics simulations of ferroelectric barium titanate in the rhombohedral phase

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