纳米注塑聚合物-金属异质界面黏合行为的分子动力学模拟  

Molecular Dynamics Simulation of the Adhesion Behavior of the Polymer-Metal Interface in Nano Injection Molding

作　　者：周锋 李宏晨 刘东雷[1] 辛勇[1] 易泽伟 Feng Zhou;Hongchen Li;Donglei Liu;Yong Xin;Zewei Yi(School of Mechanical&Electrical Engineering,Nanchang University,Nanchang 330031,China)

机构地区：[1]南昌大学机电工程学院,江西南昌330031

出　　处：《高分子材料科学与工程》2021年第3期100-105,共6页Polymer Materials Science & Engineering

基　　金：江西省自然科学基金面上项目(20202BAB204016);国家自然科学基金资助项目(51565034)。

摘　　要：基于分子动力学模拟实验研究了纳米注塑成型聚合物-金属异质界面黏合行为与锚栓机制。以金属Cu为金属基材,构建了包含纳米级矩形槽、V型槽及无纳米凹坑结构3种Cu基材模型;以尼龙6(PA6)、聚对苯二甲酸丁二醇酯(PBT)、聚甲基丙烯酸甲酯(PMMA)等为实验材料建立了包含聚合度均为15的聚合物层模型,进而组合得到了9种包含真空层的聚合物-Cu三层界面特征模型。模拟实验结果表明,聚合物在基材凹槽的填充过程中呈现出明显的壁面滑移现象,壁面滑移与材料极性呈正相关趋势;纳米级凹槽界面可以显著提升聚合物-金属界面结合强度,相较于矩形凹槽,V型凹槽更有利于聚合物-金属界面凹槽填充与黏合;界面特征相同条件下,PA6-Cu体系界面能、填充率均最大,PBT-Cu次之,PMMA-Cu最低。Molecular dynamics simulations were proposed to study the interfacial adhesion behavior of polymer-metal interfaces in nano molding.Three kinds of copper(Cu)substrate layers containing the nano-scale rectangular slot,V-shaped slot and no nano-pit structure were constructed.Nylon6(PA6),polybutylene terephthalate(PBT)and polymethyl methacrylate(PMMA)were chosen as candidate polymer,and each layer consisting of 22,13 and 26 chains with a degree of polymerization of 15 were built successively.Then nine paired polymer-metal interfacial systems consisted of the metal,polymer and vacuum layer from bottom to top were constructed respectively.Simulation results show that the wall-slip behavior was pronounced in nano injection molding.Material polarity has a positive effect on the wall-slip behavior.The nano-scale slot interfaces can significantly improve the polymer-metal interface bonding strength.Compared with rectangular slot,"V"slot is more conducive to enhance the interfacial adhesion performance of the polymer-metal systems.With the same interfacial characteristics,PA6-Cu system shows the largest interface energy and the best filling rate,followed by PBT-Cu system,while PMMA-Cu system shows the poorest interfacial adhesion effects.

关 键 词：纳米注塑 聚合物-金属 界面 黏合 分子动力学 

分 类 号：TQ320.662[化学工程—合成树脂塑料工业]