Goswami Amrita, Dalal Indranil Saha, Singh Jayant K
Department of Chemical Engineering, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh 208016, India.
Phys Rev Lett. 2021 May 14;126(19):195702. doi: 10.1103/PhysRevLett.126.195702.
Using molecular simulations and a modified classical nucleation theory, we study the nucleation, under flow, of a variety of liquids: different water models, Lennard-Jones, and hard sphere colloids. Our approach enables us to analyze a wide range of shear rates inaccessible to brute-force simulations. Our results reveal that the variation of the nucleation rate with shear is universal. A simplified version of the theory successfully captures the nonmonotonic temperature dependence of the nucleation behavior, which is shown to originate from the violation of the Stokes-Einstein relation.
利用分子模拟和修正的经典成核理论，我们研究了多种液体在流动条件下的成核过程：不同的水模型、 Lennard-Jones 模型以及硬球胶体。我们的方法使我们能够分析强力模拟无法达到的广泛剪切速率范围。我们的结果表明，成核速率随剪切的变化具有普遍性。该理论的一个简化版本成功地捕捉到了成核行为的非单调温度依赖性，结果表明这种依赖性源于对斯托克斯 - 爱因斯坦关系的违反。
