Solidification of gold nanoparticles in carbon nanotubes
Solidification of gold nanoparticles in carbon nanotubes
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DOI：
10.1103/physrevlett.94.105502
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发表时间：
2005-03-18
影响因子：
8.6
通讯作者：
Koumoutsakos, P
中科院分区：
文献类型：
--
作者：
Arcidiacono, S;Walther, JH;Koumoutsakos, P
用分子动力学模拟方法研究了金纳米颗粒在碳纳米管中的结构和凝固过程。模拟结果表明，封闭颗粒的预测凝固温度低于块体颗粒的凝固温度，但高于真空中团簇的凝固温度。与唯象模型的比较表明，在所考虑的0.5-lt；R-CNT&1.6 nm的管径范围内，凝固温度主要取决于颗粒的长度，对R-CNT的影响很小。
The structure and the solidification of gold nanoparticles in a carbon nanotube are investigated using molecular dynamics simulations. The simulations indicate that the predicted solidification temperature of the enclosed particle is lower than its bulk counterpart, but higher than that observed for clusters placed in vacuum. A comparison with a phenomenological model indicates that, in the considered range of tube radii (R-CNT) of 0.5 < R-CNT < 1.6 nm, the solidification temperature depends mainly on the length of the particle with a minor dependence on R-CNT.