Zhou Min, Cheng Ke, Sun Haoran, Jia Guozhu
College of Physical and Electronics Engineering, Sichuan Normal University, Chengdu, 610101, China.
College of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu, 610103, China.
Sci Rep. 2018 May 8;8(1):7186. doi: 10.1038/s41598-018-21846-4.
The nonlinear response of output-input microwave power for DMSO-ethanol mixture, which was exhibited as the direct evidence of non-thermal effect in experiment, was investigated by molecular dynamics simulation. Effects of microwave field on the mixture were evaluated from the alteration in structure, transport, hydrogen bonding dynamics and intermolecular interaction energy. Increasing the strength of the microwave field did not lead to any markedly conformational change, but decrease the diffusion coefficient. Prolonged hydrogen bonding lifetimes, which caused by the redistribution of microwave energy, was also detected. Distinct threshold effect was observed, which was consistent with the behavior in the experiment.
通过分子动力学模拟研究了二甲基亚砜-乙醇混合物输出-输入微波功率的非线性响应，该响应在实验中作为非热效应的直接证据被展现出来。从结构、传输、氢键动力学和分子间相互作用能的变化来评估微波场对混合物的影响。增加微波场强度并未导致任何明显的构象变化，但会降低扩散系数。还检测到由于微波能量重新分布导致的氢键寿命延长。观察到明显的阈值效应，这与实验中的行为一致。
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