Investigation of the effect of crystal size on the piezoelectric features of lead-free barium titanate ceramic using molecular dynamics simulation

Investigation of the effect of crystal size on the piezoelectric features of lead-free barium titanate ceramic using molecular dynamics simulation

Abstract This study investigated the piezoelectric properties of BaTiO3 ceramics with different sizes through molecular dynamics simulations. The results show that all samples reached thermal equilibrium at 300 K and equilibrium in potential energy within 10 ns, confirming effective equilibration. A...

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Bibliographic Details
Main Authors: S. Esmaeili, M. H. Ehsani, Davood Toghraie, S. Saber-Samandari
Format: Article
Language:English
Published: Nature Portfolio 2024-11-01
Series:Scientific Reports
Subjects:
Crystal size
Piezoelectric features
Lead-free barium titanate
Molecular dynamics simulation
Online Access:https://doi.org/10.1038/s41598-024-79941-8
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