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Nonequilibrium Kink Density from One-Dimensional Nucleation for Step Velocity Predictions
Crystal Growth & Design ( IF 3.8 ) Pub Date : 2018-01-16 00:00:00 , DOI: 10.1021/acs.cgd.7b01092
Mark N. Joswiak 1 , Baron Peters 1 , Michael F. Doherty 1
Affiliation  

Crystal growth rates depend on the density of kink sites along step edges, ρ. The supersaturation-dependence of the kink density, ρ(S), is often ignored despite available nonequilibrium models for centrosymmetric crystals. The aim of this work is to derive ρ(S) from a rather simple one-dimensional nucleation framework in a manner that accounts for multiheight kinks. These become more prevalent at higher S and/or lower kink energies where the step front roughens (i.e., higher ρ). We arrive at a density of kinetic kinks that contribute to the step velocity and make comparisons with other models and simulations. Our model almost entirely eliminates systematic errors in predicted step velocities and crystal growth rates.

中文翻译:

一维成核对步速预测的非平衡扭结密度

晶体生长速率取决于沿台阶边缘ρ的扭结部位的密度。尽管存在用于中心对称晶体的非平衡模型,但经常会忽略扭折密度ρ(S)的过饱和依赖性。这项工作的目的是从一个相当简单的一维成核框架中得出ρ(S),以解决多高度纠缠的问题。在较高的S和/或较低的扭折能量处(阶跃前部变粗糙)(即,较高的ρ),这些变得更加普遍。我们得出有助于步速的动力学扭结密度,并与其他模型和仿真进行比较。我们的模型几乎完全消除了预测步速和晶体生长速率方面的系统误差。
更新日期:2018-01-16
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