Effect of end‐tethered polymers on surface adhesion of glassy polymers
Effect of end‐tethered polymers on surface adhesion of glassy polymers
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DOI：
10.1002/polb.10672
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发表时间：
2004-01
期刊：
影响因子：
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通讯作者：
S. Sides;G. Grest;M. Stevens;S. Plimpton
中科院分区：
文献类型：
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作者：
S. Sides;G. Grest;M. Stevens;S. Plimpton
玻璃态聚合物熔体和基板之间的粘附性进行了研究，在化学连接到基板表面的末端接枝链的存在下。通过分子动力学模拟研究了束缚链面密度∑和拉伸速度v对粘接失效机理的影响。使用双桥接算法生成初始构型，其中新的键形成在与其各自的自由端等距的一对单体上。这产生了新的链配置，其与原始的两个链有很大的不同，使得系统可以在合理的CPU时间内平衡。在最慢的拉伸拉伸速度研究，从断链到银纹的交叉观察覆盖率的增加，而对于非常大的拉速，只有断链观察。随着覆盖率的增加，从界面拉出的拴系链的部分形成足够强以抑制断链的银纹的原纤维，导致内聚而不是粘合失效。© 2003威利期刊公司聚合物科学杂志B部分：聚合物物理42：199-208，2004
The adhesion between a glassy polymer melt and substrate is studied in the presence of end-grafted chains chemically attached to the substrate surface. Extensive molecular dynamics simulations have been carried out to study the effect of the areal density ∑ of tethered chains and tensile pull velocity v on the adhesive failure mechanisms. The initial configurations are generated using a double-bridging algorithm in which new bonds are formed across a pair of monomers equidistant from their respective free ends. This generates new chain configurations that are substantially different than the original two chains such that the systems can be equilibrated in a reasonable amount of cpu time. At the slowest tensile pull velocity studied, a crossover from chain scission to crazing is observed as the coverage increases, while for very large pull velocity, only chain scission is observed. As the coverage increases, the sections of the tethered chains pulled out from the interface form the fibrils of a craze that are strong enough to suppress chain scission, resulting in cohesive rather than adhesive failure. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 199–208, 2004