高、低密度反式1,2-二氯乙烯液体的微观结构和动力学
Microscopic structure and dynamics of high and low density trans-1,2-dichloroethylene liquids
摘要:
利用中子散射技术(衍射、小角中子散射和飞行时间谱)和分子动力学模拟研究了反式-1,2-二氯乙烯在高密度和低密度液体中的动力学和结构变化。结果表明,分子短程有序的变化伴随着分子动力学的变化:高密度液体的结构和动力学比低密度液体的结构和动力学更协调.在高密度液体中的合作运动的微观机制已被发现有关的背散射的分子由于一个强的相关性的分子有序。
英文摘要:
We present a study of the dynamics and structural changes for trans-1,2-dichloroethylene between high and low density liquids using neutron scattering techniques (diffraction, small angle neutron scattering and time of flight spectroscopy) and molecular dynamics simulations. We show that changes in the short range ordering of molecules goes along with a change of the molecular dynamics: both structure and dynamics of the high density liquid are more cooperative than those of the low density liquid. The microscopic mechanism underlying the cooperative motions in the high density liquid has been found to be related to the backscattering of molecules due to a strong correlation of molecular ordering.
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