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Shape Stability of Metallic Nanoplates: A Molecular Dynamics Study.
Nanoscale Research Letters ( IF 5.418 ) Pub Date : 2019-11-29 , DOI: 10.1186/s11671-019-3192-7
Xiwen Chen 1 , Rao Huang 1 , Tien-Mo Shih 2 , Yu-Hua Wen 1
Affiliation  

Metallic nanoplates have attracted widespread interests owing to their functional versatility, which relies heavily on their morphologies. In this study, the shape stability of several metallic nanoplates with body-centered-cubic (bcc) lattices is investigated by employing molecular dynamics simulations. It is found that the nanoplate with (110) surface planes is the most stable compared to the ones with (111) and (001) surfaces, and their shapes evolve with different patterns as the temperature increases. The formation of differently orientated facets is observed in the (001) nanoplates, which leads to the accumulation of shear stress and thus results in the subsequent formation of saddle shape. The associated shape evolution is quantitatively characterized. Further simulations suggest that the shape stability could be tuned by facet orientations, nanoplate sizes (including diameter and thickness), and components.

中文翻译:

金属纳米板的形状稳定性:分子动力学研究。

金属纳米板由于其功能多样性而引起了广泛的关注,而功能多样性在很大程度上取决于其形态。在这项研究中,通过使用分子动力学模拟研究了几种具有体心立方(bcc)晶格的金属纳米板的形状稳定性。发现具有(110)表面平面的纳米板与具有(111)和(001)表面的纳米板相比最稳定,并且它们的形状随着温度的升高而以不同的模式演变。在(001)纳米板上观察到取向不同的小平面的形成,这导致剪切应力的累积,并因此导致随后形成鞍形。相关的形状演变被定量表征。进一步的模拟表明,形状稳定性可以通过刻面方向进行调整,
更新日期:2019-11-29
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