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Atomistic approach for the evaluation of direct flexoelectric coefficients in gradient theory
Ferroelectrics ( IF 0.8 ) Pub Date : 2020-12-09 , DOI: 10.1080/00150193.2020.1822681
Jan Sladek 1, 2 , Stephen Hocker 2 , Hansjorg Lipp 2 , Vladimir Sladek 1 , Qian Deng 3
Affiliation  

Abstract A simplified two length-scale model is applied in direct flexoelectricity for two-dimensional problems. Numerical experiments are performed to obtain the two unknown flexoelectric parameters that appear in gradient theory in elasticity. They are determined by fitting the results from an atomistic model with an analytical solution for a simple problem employing gradient theory, namely, a square domain with a simple polynomial variation of displacements. This is demonstrated by a numerical example for alpha alumina α-Al2O3.

中文翻译:

在梯度理论中评估直接挠曲电系数的原子方法

摘要 一个简化的两长度尺度模型被应用于二维问题的直接柔电中。进行数值实验以获得弹性梯度理论中出现的两个未知的挠曲电参数。它们是通过将原子模型的结果与采用梯度理论的简单问题的解析解拟合来确定的,即具有简单多项式位移变化的方形域。α-氧化铝 α-Al2O3 的数值例子证明了这一点。
更新日期:2020-12-09
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