A molecular dynamics investigation of the deformation mechanism and shape memory effect of epoxy shape memory polymers  

作　　者：Hua Yang Zheng Dao Wang Ya Fang Guo Xing Hua Shi 

机构地区：[1]Institute of Engineering Mechanics, Beijing Jiaotong University [2]State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences

出　　处：《Science China(Physics,Mechanics & Astronomy)》2016年第3期89-95,共7页中国科学：物理学、力学、天文学（英文版）

基　　金：the National Natural Science Foundation of China(Grant Nos.11272044 and 11023001)

摘　　要：Following deformation, thermally induced shape memory polymers(SMPs) have the ability to recover their original shape with a change in temperature. In this work, the thermomechanical properties and shape memory behaviors of three types of epoxy SMPs with varying curing agent contents were investigated using a molecular dynamics(MD) method. The mechanical properties under uniaxial tension at different temperatures were obtained, and the simulation results compared reasonably with experimental data. In addition, in a thermomechanical cycle, ideal shape memory effects for the three types of SMPs were revealed through the shape frozen and shape recovery responses at low and high temperatures, respectively, indicating that the recovery time is strongly influenced by the ratio of E-51 to 4,4'-Methylenedianiline.Following deformation, thermally induced shape memory polymers （SMPs） have the ability to recover their original shape with a change in temperature. In this work, the thermomechanical properties and shape memory behaviors of three types of epoxy SMPs with varying curing agent contents were investigated using a molecular dynamics （MD） method. The mechanical properties under uniaxial tension at different temperatures were obtained, and the simulation results compared reasonably with experimental data. In addition, in a thermomechanical cycle, ideal shape memory effects for the three types of SMPs were re- vealed through the shape frozen and shape recovery responses at low and high temperatures, respectively, indicating that the recovery time is strongly influenced by the ratio of E-51 to 4,4＇-Methylenedianiline.

关 键 词：shape memory polymer molecular dynamics simulation THERMOMECHANICS 

分 类 号：O631.11[理学—高分子化学]