Computation of Crystal Growth Arrest by an Adsorption-Inhibition Mechanism
Computation of Crystal Growth Arrest by an Adsorption-Inhibition Mechanism
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DOI：
10.1021/cg0502789
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发表时间：
2006-01
影响因子：
3.8
通讯作者：
L. Brush;Edward A. Le
中科院分区：
文献类型：
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作者：
L. Brush;Edward A. Le
本文首次通过修正的全瞬态二维晶体生长连续模型的数值解计算了已有文献记载的全局纳米级晶体生长阻滞现象，即存在吸附剂的晶体界面处处停止演化，以及沿生长的纳米晶体界面区域出现的一种新的局部生长阻滞现象。在该模型中，考虑到生长抑制界面吸附物（如抗冻蛋白）的影响，计算了纳米晶体界面的演变和体热场。通过对线性现象界面分子/原子附着动力学规律的修正，该模型代表了生长阻滞的吸附-抑制（AI）机制。结果表明，如果吸附物（AFPs）沿晶体界面的间距小于临界核直径，则晶体的生长将被全局阻止，而没有吸附物的晶体生长将无限期地继续下去。计算……
The well-documented global nanoscale crystal growth arrest phenomenon in which a crystal interface in the presence of adsorbates ceases to evolve everywhere and a novel local growth arrest phenomenon occurring along regions of growing nanocrystal interfaces are computed for the first time by the numerical solution to a modified, fully transient, 2D continuum model of crystal growth. In the model, the evolving nanocrystalline interface and the bulk thermal fields are calculated while allowing for the effect of growth-inhibiting interfacial adsorbates, for example, antifreeze proteins (AFPs). By modification of a linear phenomenological interfacial molecular/atomic attachment kinetic law, this model represents the adsorption-inhibition (AI) mechanism of growth arrest. Results show that if adsorbates (AFPs) are spaced less than the critical nucleus diameter along a crystal interface then the growth of a crystal is arrested globally, whereas without the adsorbates growth would continue indefinitely. Calculati...