Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates
Continuum modeling of the cohesive energy for the interfaces between films, spheres, coats and substrates
复制标题
薄膜、球体、涂层和基材之间界面的内聚能的连续体建模
DOI：
10.1016/j.commatsci.2014.06.050
复制
发表时间：
2015
影响因子：
3.3
通讯作者：
Rabczuk, Timon
中科院分区：
文献类型：
--
作者：
Lu, Lixin;Zhang, Zhiliang;Guo, Wanlin;Rabczuk, Timon
通过对薄膜/涂层、球体/涂层、球体/基体和球体/基底之间的界面内聚能的显式解，可以通过对它们之间的范德华相互作用进行连续介质建模来获得这些界面。分析结果表明，内聚能很大程度上取决于它们的尺寸和间距。对于给定的薄膜厚度和球体半径，内聚强度随着涂层厚度的增加而增加，然后当涂层厚度达到临界值时趋于恒定。当球体半径达到临界值时，球体/基体界面的内聚强度保持恒定。与全原子分子力学计算对比表明，连续介质解具有较高的精度。所建立的分析解决方案对于理解纳米结构与基底、生物材料之间的相互作用、设计纳米复合材料和纳米机电系统有很大帮助。
Explicit solutions of the cohesive energy for the interfaces between film/coat, sphere/coat, sphere/matrix and sphere/substrate are obtained by continuum modeling of the van der Waals interaction between them. The analytical results show that the cohesive energy strongly depends on their size and spacing. For a given film thickness and sphere radius, the cohesive strength increases with increasing coat thickness and then tends to a constant when the coat thickness is up to a critical value. The cohesive strength for the interface between sphere/matrix keeps a constant when the sphere radius is up to a critical value. Checking against full atom molecular mechanics calculations show that the continuum solution has high accuracy. The established analytical solutions should be of great help for understanding the interactions between the nanostructures and substrates, biomaterials, designing nanocomposites and nanoelectromechanical systems.
登录
查看更多内容
DOI：
10.1016/s0022-5096(00)00079-x
发表时间：
2001-06-01
影响因子：
5.3
作者：
Ru, CQ
通讯作者：
Ru, CQ
影响因子：
6.4
作者：
Sun JinMei;Guo WanLin
通讯作者：
Guo WanLin
影响因子：
3.3
作者：
Zhiliang Zhang;H. Kristiansen;Johan Liu
通讯作者：
Zhiliang Zhang;H. Kristiansen;Johan Liu
影响因子：
5.3
作者：
He, XQ;Kitipornchai, S;Liew, KM
通讯作者：
Liew, KM
影响因子：
5.3
作者：
Jiang, L. Y.;Huang, Y.;Liu, B.
通讯作者：
Liu, B.