We use Brownian dynamics simulations to study the topological simplification of knots that untie from chains in elongational flows. Focusing on the 8₁ knot, we track changes in conformational states as initially centered knots move off chains in planar elongational flows. We show that the non-uniform tension profile along the chain leads to a redistribution of conformational states at different knot locations along the chain. The rotational mode of motion for knots in elongational flows promotes a preferred knot conformational state rearrangement pathway, which results in a dominant untying pathway. The interplay between chain tension, conformational state rearrangement pathway and knot untying time is further probed by varying chain length. Finally, we generalize our findings by considering the untying pathways of other twist knots in elongational flows. From a practical standpoint, using flow kinematics to influence the topological simplification pathway of a knot can be potentially exciting for single-molecule applications.

中文翻译：

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伸长流中解开的复杂结的拓扑简化

我们使用布朗动力学模拟来研究从伸长流中的链解开的结的拓扑简化。专注于8 ₁结，我们跟踪构象状态的变化，因为最初居中的结在平面伸长流中从链中移出。我们表明，沿链的不均匀张力分布导致沿链的不同结位置的构象状态重新分布。伸长流动中结的旋转运动模式促进了优选的结构象状态重排途径，这导致了主要的解链途径。通过改变链长进一步探究链张力，构象状态重排途径和解链时间之间的相互作用。最后，我们通过考虑伸长流中其他扭结的解开路径来概括我们的发现。从实际的角度来看，