Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

Shingo Urata, Hiroyuki Hijiya, Kazuhiko Niwano, Jun Matsui

研究成果: ジャーナルへの寄稿学術誌査読

2 被引用数 (Scopus)

抄録

To theoretically explore amorphous materials with a sufficiently low dielectric loss, which are essential for next-generation communication devices, the applicability of a nonequilibrium molecular dynamics simulation employing an external alternating electric field was examined using alkaline silicate glass models. In this method, the dielectric loss is directly evaluated as the phase shift of the dipole moment from the applied electric field. This method enabled us to evaluate the dielectric loss in a wide frequency range from 1 GHz to 10 THz. It was observed that the dielectric loss reaches its maximum at a few THz. The simulation method was found to qualitatively reproduce the effects of alkaline content and alkaline type on the dielectric loss. Furthermore, it reasonably reproduced the effect of mixed alkalines on the dielectric loss, which was observed in our experiments on sodium and/or potassium silicate glasses. Alkaline mixing was thus found to reduce the dielectric loss.

本文言語英語
ジャーナルJournal of the American Ceramic Society
DOI
出版ステータス印刷中 - 2022

!!!All Science Journal Classification (ASJC) codes

  • セラミックおよび複合材料
  • 材料化学

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