Exact polarization energy for clusters of contacting dielectrics

Exact polarization energy for clusters of contacting dielectrics
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接触电介质簇的精确极化能

DOI:
10.1039/d2sm00245k
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发表时间:
2022
期刊:
影响因子:
3.4
通讯作者:
Qin, Jian
Qin, Jian
中科院分区:
化学2区
文献类型:
--
作者:
Lian, Huada;Qin, Jian

文献摘要

相似文献

当电介质颗粒形成紧密接触时,感生的表面电荷出现发散。由于需要高的空间分辨率,因此用数值方法解决这个奇异性是非常昂贵的。我们表明,这种奇异性的强度是对数的粒子间的分离和介电常数。提出了一种正则化方案来隔离这种奇异性,并计算接触的电介质颗粒簇的精确内聚能。结果表明,当介电常数较高时,极化能稳定团簇的开放构型,这与导电粒子的行为一致;当介电常数较低时,极化能稳定团簇的紧凑构型。
The induced surface charges appear to diverge when dielectric particles form close contacts. Resolving this singularity numerically is prohibitively expensive because high spatial resolution is needed. We show that the strength of this singularity is logarithmic in both inter-particle separation and dielectric permittivity. A regularization scheme is proposed to isolate this singularity, and to calculate the exact cohesive energy for clusters of contacting dielectric particles. The results indicate that polarization energy stabilizes clusters of open configurations when permittivity is high, in agreement with the behavior of conducting particles, but stabilizes the compact configurations when permittivity is low.