Comparison of Voronoi tessellation-derived and molecular dynamics-derived atomistic models of polycrystalline titania: a computational study of structures, band structures, and mechanical properties

Publication Information

Title

Japanese:
English:	Comparison of Voronoi tessellation-derived and molecular dynamics-derived atomistic models of polycrystalline titania: a computational study of structures, band structures, and mechanical properties

Author

Japanese:	岡本卓磨, 亀田恵佑, H. Wang, 伊原学, MANZHOS SERGEI.
English:	T. Okamoto, K. Kameda, H. Wang, M. Ihara, S. Manzhos.

Language

English

Journal/Book name

Japanese:
English:	Adv. Theory Simul

Volume, Number, Page

Published date

2025

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English:

Conference name

Japanese:
English:

Conference site

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English: