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  3. Department Werkstoffwissenschaften

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Institute of Materials Simulation

Website of the Institute of Materials Simulation

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    • Discovering Equations from Graph Neural Networks using Symbolic Regression
    • Analysis of ferroelectrics using molecular dynamics
    • Fracture surface geometry in 3D hierarchical material adhesion
    • From Atomic Defects To Turbine Blades: Multiscale Modeling & Informatics Towards Materials By Design For Extreme Conditions
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Analysis of ferroelectrics using molecular dynamics

Location

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Room: Room 2.018-2
Dr.-Mack-Str. 77
90762 Fürth

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Takahiro Tsuzuki

Department of Physical Science and Engineering
Nagoya Institute of Technology, Japan

11. Mai 2022, 17:00
WW8, Zoom

 

My objective of research is analysis of defect effects on ferrelectric domain using molecular dynamics simulation. I analyzed defect effects during domain switching of BaTiO3. I found 1st neighbor divacancies of VBa-VO and VTi-VO assist the domain growth when the defect dipole is parallel to the applied electric field direction. And I found the domain growth speed towards applied electric field direction is two orders rather than that towards pependicular direction.

Friedrich-Alexander-Universität Erlangen-Nürnberg
Institute of Materials Simulation

Dr.-Mack-Str. 77
90762 Fürth
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