計算力学
粗視化分子動力学法を用いたナノフィラーによる架橋ゴムの補強における界面効果の研究
キーワード:
High polymer materials,
Molecular simulation,
Composite material,
Molecular dynamics,
Interface
2014 年 80 巻 810 号 p. CM0032
詳細
2014 年 80 巻 810 号 p. CM0032
In this paper, modeling and simulation of nanofilled crosslinked rubber using beads spring model was reported, and the effects of the crosslinking density, the dispersibility of nanofiller and the strength of filler-polymer interactions on the reinforcement in an elongation simulation were discussed. The models were consisted two fillers, five polymer-chains, and crosslinkers with four types of filler-rubber interaction based on the Lennard-Jones potential. From the uniaxial elongation simulation, it was confirmed that the strength of interaction was affected to the stress. Furthermore, the dependency of the elongation stress and the mobility of polymer beads around filler on temperature was carried out, and it was found that the presence of low-mobility phase around filler by a strong interaction lead to the reinforcement of filled crosslinked rubber.
