Persistent homology and many-body atomic structure for medium-range order in the glass

Takenobu Nakamura, Yasuaki Hiraoka, Akihiko Hirata, Emerson G. Escolar, Yasumasa Nishiura

研究成果: Article査読

48 被引用数 (Scopus)

抄録

The characterization of the medium-range (MRO) order in amorphous materials and its relation to the short-range order is discussed. A new topological approach to extract a hierarchical structure of amorphous materials is presented, which is robust against small perturbations and allows us to distinguish it from periodic or random configurations. This method is called the persistence diagram (PD) and introduces scales to many-body atomic structures to facilitate size and shape characterization. We first illustrate the representation of perfect crystalline and random structures in PDs. Then, the MRO in amorphous silica is characterized using the appropriate PD. The PD approach compresses the size of the data set significantly, to much smaller geometrical summaries, and has considerable potential for application to a wide range of materials, including complex molecular liquids, granular materials, and metallic glasses.

本文言語English
論文番号304001
ジャーナルNanotechnology
26
30
DOI
出版ステータスPublished - 2015 7 31
外部発表はい

ASJC Scopus subject areas

  • バイオエンジニアリング
  • 化学 (全般)
  • 材料科学(全般)
  • 材料力学
  • 機械工学
  • 電子工学および電気工学

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