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The Interfacial Behavior of Water/PMMA Thin Film Under Normal Compression

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Molecular dynamics simulation (MD) has been used to investigate the structure property of water/PMMA interface under compression and compression release. A virtual repulsive wall was employed to generate a normal compression strain on the simulation model, leading a compressive system. In order to understand the difference of interfacial phenomenon between the system under strain and under release, the hydrogen bond and density distributions of water and PMMA along the normal direction are calculated. The results show that the hydrogen bond distribution profile of compressive system is different from that of the release system at the same strain. It demonstrates that the characteristic structure of water/PMMA interface under a compression-release cycle is not reversible.
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Keywords: HYDROGEN BOND; MOLECULAR DYNAMICS SIMULATION; WATER/PMMA

Document Type: Research Article

Publication date: 2010-11-01

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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