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- W2073705067 abstract "Based on a shell model potential obtained from first principles calculations, we performed molecular dynamics simulations to investigate the electromechanical response of a ferroelectric perovskite under finite temperature and electric field. We characterize the switching paths by which a homogeneous polarization reorientation process would take place in the prototypical ferroelectric PbTiO3. We observe the hysteresis loop and butterfly electric-strain curve and obtain finite temperature piezoelectric coefficients in good agreement with experiments." @default.
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- W2073705067 date "2011-10-03" @default.
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- W2073705067 title "Thermo-electromechanical response of a ferroelectric perovskite from molecular dynamics simulations" @default.
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- W2073705067 doi "https://doi.org/10.1063/1.3646377" @default.
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