Siquieri R, Emmerich H
Center for Computational Engineering Science and Institute of Minerals Engineering, RWTH Aachen University, D-52056 Aachen, Germany.
J Phys Condens Matter. 2009 Nov 18;21(46):464105. doi: 10.1088/0953-8984/21/46/464105. Epub 2009 Oct 27.
The application of phase-field modeling to nucleation as a phenomenon at the nanoscale is justified, if one takes into account the great success of continuum approaches in nanofluidics as proven by the many comparisons to experiments. Employed in this manner it provides an approach allowing us to account for effects of the physical diffuseness of a nucleus' interface and thereby go beyond classical nucleation theory (Gránásy and James 2000 J. Chem. Phys. 113 9810; Emmerich and Siquieri 2006 J. Phys.: Condens. Matter 18 11121). Here we extend the focus of previous work in this field and address the question of how far the phase-field method can also be applied to gain further insight into nucleation statistics, in particular the nucleation prefactor appearing in the nucleation rate. In this context we describe in detail a morphology-dependent crossover effect noticeable for the nucleation rate at small driving forces.
如果考虑到连续介质方法在纳米流体学中取得的巨大成功，这已被许多与实验的比较所证明，那么将相场模型应用于纳米尺度上的成核现象是合理的。以这种方式使用它提供了一种方法，使我们能够考虑核界面物理扩散的影响，从而超越经典成核理论（格拉纳西和詹姆斯，2000年，《化学物理杂志》，113卷，9810页；埃默里希和西基耶里，2006年，《物理学杂志：凝聚态物质》，18卷，11121页）。在这里，我们扩展了该领域先前工作的重点，并探讨相场方法在多大程度上也可用于进一步深入了解成核统计，特别是成核速率中出现的成核前因子。在这种情况下，我们详细描述了一种与形态相关的交叉效应，该效应在小驱动力下的成核速率中很明显。
