Molecular dynamics simulation of heterogeneous nucleation on nanorods
Molecular dynamics simulation of heterogeneous nucleation on nanorods
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DOI：
10.1063/1.4803212
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发表时间：
2013-04
期刊：
影响因子：
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通讯作者：
D. Suh;K. Yasuoka;X. Zeng
中科院分区：
文献类型：
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作者：
D. Suh;K. Yasuoka;X. Zeng
通过经典分子动力学研究了各种固体纳米粒子构型的气液生长。早期的研究表明，在初始生长过程中存在曲率效应，这使得球体和立方体之间的生长速率提高了大约一个数量级。在本研究中，使用不同过饱和度的两个长方体来观察长径比是否影响生长。根据目前的结果，没有明确的证据表明纵横比的变化会影响纳米颗粒的生长，尽管表面积存在很大差异。没有观察到过饱和率效应，这与之前的研究一致。
Vapor-to-liquid growth on various solid nanoparticle configurations was studied by classical molecular dynamics. Earlier studies have shown a curvature effect to exist in the initial growth process, which increases the growth rate around one order of magnitude between a sphere and cube. In this study, two cuboids in different supersaturation ratios were used to see if the aspect ratio influences growth. Based on the current results, there is no clear evidence that the change in aspect ratio affects the growth of nanoparticles at all even though there is a large difference in the surface areas. No supersaturation ratio effect could be observed, which coincides with previous studies.