Blaak Ronald, Auer Stefan, Frenkel Daan, Löwen Hartmut
Institut für Theoretische Physik II, Heinrich-Heine-Universität, Universitätsstrasse 1, D-40225 Düsseldorf, Germany.
Phys Rev Lett. 2004 Aug 6;93(6):068303. doi: 10.1103/PhysRevLett.93.068303. Epub 2004 Aug 5.
We use Brownian dynamics simulations in combination with the umbrella sampling technique to study the effect of shear flow on homogeneous crystal nucleation. We find that a homogeneous shear rate leads to a significant suppression of the crystal nucleation rate and to an increase of the size of the critical nucleus. A simple, phenomenological extension of classical nucleation theory accounts for these observations. The orientation of the crystal nucleus is tilted with respect to the shear direction.
我们结合布朗动力学模拟和伞形抽样技术来研究剪切流对均匀晶体成核的影响。我们发现均匀剪切速率会导致晶体成核速率显著降低以及临界核尺寸增大。经典成核理论的一个简单唯象扩展可以解释这些观测结果。晶核的取向相对于剪切方向发生倾斜。