Molecular dynamics simulation of the melting processes of core-shell and pure nanoparticles

Yuki Tamura, Noriyoshi Arai

研究成果: Article査読

15 被引用数 (Scopus)

抄録

Core-shell nanoparticles are nanosized particles that consist of a core and a shell, constructed from different metallic elements. Core-shell nanoparticles have received extensive attention, owing to their various potential applications such as paints, optical films and catalysts. Herein, we investigate the melting behaviours of different core-shell nanoparticles under continuous heating using molecular dynamics simulation. Different metallic elements were examined as core-shell and pure nanoparticles. Five different processes were observed during the melting of core-shell nanoparticles. In contrast, only one process was identified during the melting of pure nanoparticles. These processes were influenced by the nanoparticle size, shell thickness and differences between the lattice constants and melting point temperatures of the metallic elements. Our simulation provides microscopic insights into the melting behaviours of existing and proposed core-shell nanoparticles that would be highly beneficial towards the fabrication of materials with different chemical coatings.

本文言語English
ページ(範囲)905-912
ページ数8
ジャーナルMolecular Simulation
41
10-12
DOI
出版ステータスPublished - 2015 8月 13
外部発表はい

ASJC Scopus subject areas

  • 化学 (全般)
  • 情報システム
  • 化学工学(全般)
  • モデリングとシミュレーション
  • 材料科学(全般)
  • 凝縮系物理学

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