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Discretisation originated Peierls–Nabarro barriers in simulations of ferroelectrics

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ABSTRACT We have analysed domain-wall-motion-related energy barriers, which originate from the regular discretisation grid utilised in phase-field simulations of ferroelectric materials. We develop three approaches to determine the barrier height,… Click to show full abstract

ABSTRACT We have analysed domain-wall-motion-related energy barriers, which originate from the regular discretisation grid utilised in phase-field simulations of ferroelectric materials. We develop three approaches to determine the barrier height, and we demonstrate these on a specific model of BaTiO. All lead to comparable results. Finally, we show that the barrier properties for both 180 and 90 domain walls depend on the size of the discretisation step and the distance between the domain walls.

Keywords: barriers simulations; originated peierls; nabarro barriers; discretisation originated; peierls nabarro; discretisation

Journal Title: Phase Transitions
Year Published: 2018

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