Nonequilibrium simulations of model ionomers in an oscillating electric field.
Nonequilibrium simulations of model ionomers in an oscillating electric field.
复制标题
振荡电场中模型离聚物的非平衡模拟。
DOI：
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发表时间：
2016
影响因子：
4.4
通讯作者：
A. Frischknecht
中科院分区：
文献类型：
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作者：
Christina L. Ting;Karen E Sorensen;M. Stevens;A. Frischknecht
我们进行分子动力学模拟的粗粒度模型的离聚物熔体在施加的振荡电场。频率依赖的电导率和磁化率直接计算从电流密度和极化密度，分别。在高频率下，我们发现由于离子的等离子体振荡，电导率的真实的部分中有一个峰值。在较低的频率下，离聚物的动态响应取决于系统中的离子聚集体形态，其由分离的或分离的聚集体组成。我们表明，模型离聚物的动态响应所施加的振荡场可以理解的系统中，从独立的计算获得的相关的时间尺度的比较。
We perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understood by comparison with relevant time scales in the systems, obtained from independent calculations.
分子离子液体原始模型中的相行为和动力学
影响因子：
0.6
作者：
Ganzenmüller
通讯作者：
Ganzenmüller