尺寸效应对纳米带石墨烯上液晶有序度的影响

M. Agelmenev
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引用次数: 0

摘要

利用计算机模拟了副叶绿素的极性向列苯丙基醚在石墨烯纳米带表面的行为,揭示了许多规律。研究了石墨烯在电场和温度作用下尺寸变化的分子动力学。作为一种研究方法,分子动力学的方法被用于近似的液体状态的聚集。仿真采用原子方法进行。结果表明,石墨烯纳米带和电场定义了向列液晶分子在双轴状态下的自组装。这些状态出现在石墨烯纳米带宽长比的变化中。结果表明,当宽长比为3:1时,副叶植物的有序性开始生长。
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THE INFLUENCE OF SIZE EFFECTS ON THE ORDERING OF LIQUID CRYSTALS LOCATED ON NANORIBBON GRAPHENE
Experiments on computer simulation of the behavior of polar nematic phenylpropargyl ethers of parachlorophyllens on the surface of graphene nanoribbon made it possible to reveal a number of regularities. The dynamics of moleculesis studied when the dimensions of graphene change under the action of an electric field and temperature. As a research method, the method of molecular dynamics was used in the approximation of a liquid state of aggregation. The simulation was carried out in the atomistic approach. It was shown that the graphene nanoribbon and electric filed defines the self-assembly of the nematic liquid crystals molecules in the biaxial state. These states appear at the variation of the graphene nanoribbon ratio of width to length. It was found that in the clearing area the ordering of the parachlorophyllens starts to grow when the value of the ratio of width to length is 3: 1.
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