Molecular mass dependence of point-to-set correlation length scale in polymers.
Molecular mass dependence of point-to-set correlation length scale in polymers.
复制标题
聚合物中点对集相关长度尺度的分子量依赖性。
DOI：
--
复制
发表时间：
2012
影响因子：
4.4
通讯作者：
V. Ganesan
中科院分区：
文献类型：
--
作者：
Ben Hanson;V. Pryamitsyn;V. Ganesan
我们使用最近提出的度量，称为点到集相关函数，来探测 4、5、8 和 10 个重复单元的玻璃形成低聚链液体中相关静态长度尺度的分子量依赖性。与简单单原子流体的结果一致，我们发现当温度降低到流体的玻璃化转变温度时，低聚物的静态长度尺度单调增加。更有趣的是，静态长度尺度随着链长度的增加而增加。在我们模拟的误差范围内，静态长度尺度似乎与低聚物的回转半径成比例，但有一个前因子，该前因子比统一大得多并且随着温度而增长。上述行为与从低聚物系统的径向分布函数中提取的长度尺度形成对比，后者实际上与链长无关。
We use a recently proposed metric, termed the point-to-set correlation functions, to probe the molecular weight dependence of the relevant static length scales in glass-forming oligomeric chain liquids of 4, 5, 8, and 10 repeat units. In agreement with the results for simple, monatomic fluids, we find that static length scales of the oligomers increase monotonically when the temperature is lowered towards the glass transition temperature of the fluid. More interestingly, the static length scale increases with increasing chain length. Within the bounds of error in our simulations, the static length scale appears to scale as the radius of gyration of the oligomer, but with a prefactor, which is much larger than unity and which grows with the temperature. The preceding behavior contrasts with the length scales extracted from the radial distribution function of the oligomer system, which is practically independent of the chain length.
影响因子：
8.6
作者：
Hocky, Glen M.;Markland, Thomas E.;Reichman, David R.
通讯作者：
Reichman, David R.