论文标题
拓扑对模型杂聚合物的塌陷过渡和瞬时形状的影响
Effect of topology on the collapse transition and the instantaneous shape of a model heteropolymer
论文作者
论文摘要
通过计算机模拟研究了拓扑对能量分散聚合物（模型杂聚合物）的崩溃过渡和瞬时形状的影响。特别是，我们考虑了三种不同的链拓扑，即线性（L），环（R）和Trefoil结（T）。通过将每个单体分配一个相互作用参数，$ \ varepsilon_i $，从高斯分布中随机绘制来对杂聚合物进行建模。通过链尺寸缩放过渡温度，$θ$的位置并比较了不同的topogies链中。拓扑的影响反映在$θ$的值中，并观察到$θ（\ text {l}）>θ（\ text {r}）>θ（\ text {t}）$以类似的方式以均值对应物的方式类似。还研究了链尺寸分布，并根据旋转张量的特征值来表征通过形状参数来表征的过渡温度的形状变化。据观察，对于模型杂聚合物，除了链拓扑外，$θ$ - 温度还取决于能量多分散性。
The effect of topology on the collapse transition and instantaneous shape of an energy polydisperse polymer (a model heteropolymer) is studied by means of computer simulations. In particular, we consider three different chain topology, namely, linear (L), ring (R) and trefoil knot (T). The heteropolymer is modeled by assigning each monomer an interaction parameter, $\varepsilon_i$, drawn randomly from a Gaussian distribution. Through chain size scaling the transition temperature, $θ$, is located and compared among the chains of different topogies. The influence of topology is reflected in the value of $θ$ and observed that $θ(\text{L}) > θ(\text{R}) > θ(\text{T})$ in a similar fashion to that of the homopolymer counterpart. Also studied chain size distributions, and the shape changes across the transition temperature characterised through shape parameters based on the eigenvalues of the gyration tensor. It is observed that, for the model heteropolymer, in addition to chain topology the $θ$-temperature also depends on energy polydispersity.
