分子動力学シミュレーションを用いたナノコンポジット材料の粒子分散メカニズムの検討

カテゴリ: 論文誌(論文単位)

グループ名: 【A】基礎・材料・共通部門

発行日: 2012/08/01

タイトル(英語): Molecular Dynamics Study on the Particle Dispersion Mechanism of Polyamide-imide/Silica Nano-composite Materials

著者名: 菊池　英行（日立電線（株） 巻線製線事業部），岩崎　富生（(株) 日立製作所　日立研究所），花輪　秀仁（日立電線（株） 巻線製線事業部），本田　祐樹（日立電線（株） 技術研究所）

著者名(英語): Hideyuki Kikuchi (Hitachi Cable, Ltd.), Tomio Iwasaki (Hitachi Lab., Hitachi Ltd.), Hidehito Hanawa (Hitachi Cable, Ltd.), Yuki Honda (Hitachi Cable, Ltd.)

キーワード: 分子動力学，ナノコンポジット，コロイド，ポリアミドイミド，シリカ　　molecular dynamics，nano composite，colloid，polyamide-imide，silica

要約(英語): We studied the particle dispersion mechanism of polyamide-imide/silica nano-composite material by using molecular-dynamics simulation technique based on Newtonian dynamics and quantum mechanics. In simulations, adhesive fracture energies at the interfaces between silica and solvents were calculated, and Brownian motions of silica particles were simulated to clarify dispersion properties. The simulation results showed that the colloidal state of silica was maintained by covering the silica surface with a new low hygroscopicity solvent and that the chemical structure of polymer contributed to the dispersion of silica. It is found that the results obtained from molecular dynamics agree well with those obtained by experiments, and that molecular-dynamics simulation technique will become very useful for the development of nano-composite materials in the future.

本誌: 電気学会論文誌A（基礎・材料・共通部門誌） Vol.132 No.8 （2012）

本誌掲載ページ: 692-697 p

原稿種別: 論文／日本語

電子版へのリンク: https://www.jstage.jst.go.jp/article/ieejfms/132/8/132_692/_article/-char/ja/