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Updated August 21, 2017

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Quantitative evaluation of charge transfer in dielectrics based on first principles calculation

M. SATO, A. KUMADA, K. HIDAKA, T. HIRANO, and F. SATO

Organic molecules have been widely used as electrical insulation and dielectric materials. With the expected advent of high-voltage, direct-current (DC) electric power transmission system, there is an increasing need to understand the electrical degradation mechanisms of polymeric insulators, that are correlated with the conduction of charge carriers in the material. Though modeling of carrier transfer in electrical insulators is of paramount importance, there are few studies dealing with this issue. This is because, although carrier transfer in solids is an intrinsically quantum mechanical phenomenon, carrier transfer in polymeric insulators has not been treated as such. We will develop a computational model, which is capable of simulating carrier transfer in polymeric insulators with various defects, impurities, additives or composites. The model will be built from an atomistic perspective, and without any ad hoc parameters in order to enable rational design of polymeric insulators and go beyond the empirical Edisonian approach, which has been practiced for more than a century.


Fig. 1 Multi-scale modeling method
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