二维环形聚合物中玻璃态的起始：刚度与拥挤的相互作用
Onset of glassiness in two-dimensional ring polymers: interplay of stiffness and crowding
AI总结：
本文通过粗粒化分子动力学模拟二维环形聚合物，揭示刚度与压力共同调控玻璃化转变，并区分柔性环拥挤与刚性环取向成畴两种机制。
摘要：
本文利用大量粗粒化分子动力学模拟，研究了环形刚度和压力对二维环形聚合物热组装体玻璃态动力学的影响。在所有情况下，均观察到动力学随压力增加而减慢，从而在所得单体密度与环形刚度构成的平面内确定了平衡动力学的相空间。当环高度柔性（即环形刚度较低）时，玻璃态通过呈球状的皱缩聚合物的拥挤而开始形成。相比之下，在较大环形刚度下，当环在压缩过程中趋于具有较大非球度时，我们观察到在高压下出现具有取向有序的局域畴。因此，我们的模拟揭示了改变环的可变形性如何在驱动体系进入玻璃态区域时导致截然不同的机制。
英文摘要：
The effect of ring stiffness and pressure on the glassy dynamics of a thermal assembly of two-dimensional ring polymers is investigated using extensive coarse-grained molecular dynamics simulations. In all cases, dynamical slowing down is observed with increasing pressure and thereby a phase space for equilibrium dynamics is identified in the plane of obtained monomer density and ring stiffness. When the rings are highly flexible, i.e. low ring stiffness, glassiness sets in via crowding of crumpled polymers which take a globular form. In contrast, at large ring stiffness, when the rings tend to have large asphericity under compaction, we observe the emergence of local domains having orientational ordering, at high pressures. Thus, our simulations highlight how varying the deformability of rings leads to contrasting mechanisms in driving the system towards the glassy regime.
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