Ab initio simulation of helium inside carbon nanotubes

被引：5

作者：

Timerkaeva, D. B. ^{[1
]}

Stutzmann, V. ^{[1
]}

Minisini, B. ^{[1
]}

Tayurskii, D. A.

机构：

[1] Inst Super Mat & Mecan Avances Mans, F-72000 Le Mans, France

来源：

INTERNATIONAL CONFERENCE ON RESONANCES IN CONDENSED MATTER: ALTSHULER100 | 2011年 / 324卷

关键词：

ADSORPTION; APPROXIMATION; HYDROGEN; STATE;

D O I：

10.1088/1742-6596/324/1/012040

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

In present work we consider the complex behaviour of quantum liquids like liquid He-4 inside carbon nanotubes. Interactions between helium atoms and carbon atoms of the short-length atomistic model and model with periodical boundary conditions of carbon nanotube were studied via ab initio quantum simulations. Effects of geometrical confinement of the tube on the He behaviour inside CNT (13,0) have been explored. Nanotubes with typical average diameter of 10 angstroms are under consideration.

引用

页数：8

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