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

Shingo Urata, Hiroyuki Hijiya, Kazuhiko Niwano, Jun Matsui

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)4200-4207
Number of pages8
JournalJournal of the American Ceramic Society
Volume105
Issue number6
DOIs
Publication statusPublished - Jun 2022

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

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