National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8543, USA.
J Chem Phys. 2017 Feb 7;146(5):054502. doi: 10.1063/1.4973935.
We show that by representing quasi-elastic and inelastic neutron scattering from propylene carbonate (PC) with an explicitly heterogeneous model, we recover signatures of two distinct localized modes in addition to diffusive motion. The intermediate scattering function provides access to the time-dependence of these two localized dynamic processes, and they appear to correspond to transitions between inherent states and between metabasins on a potential energy landscape. By fitting the full q-dependence of inelastic scattering, we confirm that the Johari-Goldstein (β) relaxation in PC is indistinguishable from metabasin transitions.
我们通过使用显含非均匀模型来描述碳酸丙烯酯(PC)的准弹性和非弹性中子散射,发现除了扩散运动之外,还恢复了两个局域模式的特征。中间散射函数可以获取这两个局域动力学过程的时间依赖性,它们似乎对应于势能面上本征态之间和亚稳态之间的转变。通过拟合非弹性散射的完整 q 依赖性,我们证实 PC 中的 Johari-Goldstein(β)弛豫与亚稳态转变无法区分。