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Single-walled carbon nanotube array ; hydrogen storage ; physisorption ; grand canonical ensemble ; molecular dynamics simulation

单壁碳纳米管阵列;物理吸附;储氢;巨正则系综;分子动力学模拟

Thirdly, by adopting Lennard-Jones potential model and MD method, we build a MD simulation cell, which contains the information of a Grand Canonical Ensemble, and the elastic collision mechanism, and then simulate the process of hydrogen physisorption in single walled carbon nanotube.

然后,建立一个包含巨正则系综信息的分子动力学模拟元胞和弹性碰撞机制,采用Lennard-Jones势能模型和MD方法,对单壁碳纳米管储氢的物理吸附过程进行了模拟计算。

The main contents include ? the foundation of MD simulation cell in Grand Canonical Ensemble;? the establishment of elastic collision mechanism between hydrogen molecules and carbon nanotube walls and arithmetic design;? molecular dynamics simulation details of hydrogen physisorption in single walled carbon nanotube arrays and program design;? the acquirement and analysis of computer simulation results, where the influences of tube diameter, distance between tubes, temperature and pressure on hydrogen physisorption in SWCNTA are investigated in detail.

主要内容为:①巨正则系综分子动力学模拟元胞的创建;②氢分子与碳纳米管壁弹性碰撞机制的建立及算法设计;③碳纳米管阵列物理吸附储氢的分子动力学模拟细节及程序设计;④计算机模拟研究结果的获取与分析,重点研究了管径、管间距、温度和压强对单壁碳纳米管阵列物理吸附储氢的影响。

The renowned Athens Acropolis (5th century BC), atop a craggy walled hill, is home to four main edifices-the Propylaea , Parthenon, Erechtheum (Ionic temple noted for its caryatid porch), and Temple of Athena Nike-all built from white marble plentiful in the region.

著名的雅典卫城(Athens Acropolis,建于西元前5世纪)位于陡峭的山岗上,有四座重要建筑物:卫城山门、巴特农神庙、厄瑞克底翁庙(Erechtheum,以女像柱〔caryatid〕闻名的爱奥尼亚神庙)和雅典娜胜利神庙,都是以该地区生产的白色大理石筑成。

Unfortunately Walled some Dandyism children openly in the hot ditch carcasses slaughtered cattle dog, wash dirty pouring sewage.

可惜寨内一些纨绔子弟公然在热水沟屠牛宰狗,洗秽泼污。

After 3000 BC, some areas that developed more quickly stepped into the stage of the primary states. The Age of Chiefdom started in China. The walled sites in great numbers are the reflection of the frequent wars as well as drastic competitions of the time.

约公元前3000年,一些发展较快的地区相继进入初期国家阶段,中国开始了邦国时代,林立的城址群是这时期战争频繁、竞争激烈的集中体现。

Chlamydospore A thick-walled resting spore produced by certain fungi and funguslike protoctsits.

厚垣孢子:由某些真菌(黑穗病菌 smuts )和类似真菌的原生生物产生的厚壁的休眠孢子。

Thin-walled tube with closed section is commonly used in large space structures.

大型空间结构的热—结构分析是当代航天工程中出现的新课题。

Thin-walled tube with closed section is commonly used in large space structures. In order to calculate the time-dependent temperature fields in these structures subjected to heat flux and emitting thermal energy by radiation, the temperature gradients along both the axes and circumferences of the tubes should be considered.

薄壁闭口管是大型空间结构中的常用元件,为准确地计算以其为组件的空间结构在太空辐射换热条件下的瞬态温度场,必须同时考虑沿管轴向与横截面周向两个方向的温度梯度。

There was also a whiteboard inside the set. The white-walled studio looked like a school clubroom.

那里有一块白板,白墙的工作室看起来就像学校的社团室。

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But we don't care about Battlegrounds.

但我们并不在乎沙场中的显露。

Ah! don't mention it, the butcher's shop is a horror.

啊!不用提了。提到肉,真是糟透了。

Tristan, I have nowhere to send this letter and no reason to believe you wish to receive it.

Tristan ,我不知道把这信寄到哪里,也不知道你是否想收到它。