Modeling thermal decay of high-aspect-ratio nanostructures

被引:8
作者
Castez, Marcos F. [1 ]
Salvarezza, Roberto C. [1 ]
机构
[1] Natl Univ La Plata, INIFTA, CONICET, RA-1900 La Plata, Argentina
关键词
molecular dynamics method; Monte Carlo methods; nanostructured materials; surface diffusion; DYNAMIC MONTE-CARLO; SURFACE; NANOCOLUMNS; PROFILES; GROWTH;
D O I
10.1063/1.3077030
中图分类号
O59 [应用物理学];
学科分类号
摘要
A multiapproach modeling of surface diffusion driven decay of three dimensional high-aspect-ratio nanostructures is presented. Three different strategies are used: a continuous model, kinetic Monte Carlo simulations, and a molecular dynamics approach using an embedded atom model potential. All these models predict that an initially single-valued surface evolves into an intermediate multivalued state, in which features on the surface develop into a nonconvex shape. Moreover, such nanofeatures in the case of discrete models are quite well described in terms of the continuous modeling. Quantitative bounds for the aspect-ratios in which emergence of overhangs starts are estimated.
引用
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页数:3
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