Surface anchoring of rodlike molecules on corrugated substrates.
Surface anchoring of rodlike molecules on corrugated substrates.
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波纹基材上棒状分子的表面锚定。
DOI：
10.1063/1.2155529
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
Y. Shimizu
中科院分区：
文献类型：
--
作者：
K. Kiyohara;K. Asaka;H. Monobe;Naohiro Terasawa;Y. Shimizu
采用分子动力学模拟方法研究了棒状分子在表面波纹基底上的表面锚定机理。我们构建了一个模型的基板，可以有各向异性的地形图案，如ESTA。计算了棒状分子在波纹表面上的结构和热力学性质，包括弹性和锚定性质，讨论了表面结构对锚定的影响。我们发现，棒状分子在分子与波纹表面之间的各向异性分子相互作用的引导下，沿着波纹表面的凹槽排列。在分子水平上，发现当周期变短时，锚定强度增加。
We studied the mechanism of surface anchoring of rodlike molecules on substrates with the surfaces corrugated at molecular scale by molecular-dynamics simulation. We constructed a model for substrates that can have anisotoropic topographical patterns such as corrugation. The structural and thermodynamic properties of rodlike molecules on the corrugated surfaces, including the elastic and anchoring properties, were calculated and the influence of the surface structure on the anchoring was discussed. We found that the rodlike molecules are aligned along the grooves of the corrugated surfaces guided by the anisotropic molecular interaction between the molecules and the corrugated surface. The strength of anchoring was found to be increased when the period of corrugation is decreased at molecular level.