首页|Multi-field Coupled Inverse Hall-Petch Relations for Ferroelectric Nanocrystals

Multi-field Coupled Inverse Hall-Petch Relations for Ferroelectric Nanocrystals

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Tailoring grain size can improve the strength of polycrystals by regulating the proportion of grains to grain boundaries and the interaction area.As the grain size decreases to the nanoscale,the deformation mechanism in polycrystals shifts from being primarily mediated by dislocations to deformation occurring within the grains and grain boundaries.However,the mechanism responsible for fine-grain strengthening in ferroelectric materials remains unclear,primarily due to the complex multi-field coupling effect arising from spontaneous polarization.Through molecular dynamics simulations,we investigate the strengthening mechanism of barium titanate(BaTiO3),with extremely fine-grain sizes.This material exhibits an inverse Hall-Petch relationship between grain size and strength,rooting in the inhomogeneous concentration of atomic strain and grain rotation.Furthermore,we present a theoretical model to predict the transition from the inverse Hall-Petch stage to the Hall-Petch stage based on strength variations with size,which aligns well with the simulation results.It has been found that the piezoelectric properties of the BaTiO3 are affected by polarization domain switching at various grain sizes.This study enhances our understanding of the atomic-scale mechanisms that contribute to the performance evolution of fine-grain nano-ferroelectric materials.It also provides valuable insights into the design of extremely small-scale ferroelectric components.

FerroelectricsMulti-field couplingMolecular dynamicsFine-grain reinforcementInverse Hall-Petch effect

Xiaodong Zhang、Wei Yan、Xuhui Lou、Yujun Chen、Zhihong Zhou、Qingyuan Wang、Lianhua Ma、Xiaobao Tian

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Non-Destructive Testing Laboratory,School of Quality and Technical Supervision,Hebei University,Baoding 071002,China

AVIC Huiyang Aviation Propeller Co.,Ltd,Baoding 071051,China

Department of Mechanics and Engineering,Sichuan University,Chengdu 610065,China

Yibin Institute of Industrial Technology,Sichuan University Yibin Park,Yibin 644000,China

Research Institute of Interdisciplinary Sciences(RISE),Dongguan University of Technology,Dongguan 523808,China

School of Materials Science and Engineering,Dongguan University of Technology,Dongguan 523808,China

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National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Science and Technology Major ProjectNational Numerical WindtunnelHigh-Performance Computing Center of Hebei University

1217211712372154J2019-Ⅲ-0010-0054NNW2019-JT01-023

2024

固体力学学报(英文版)
中国力学学会

固体力学学报(英文版)

EI
影响因子:0.214
ISSN:0894-9166
年,卷(期):2024.37(1)
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