液氩沿纳米级微通道流动的模拟:外力的影响(英文)

来源 :Chinese Journal of Chemical Engineering | 被引量 : 0次 | 上传用户:suyihui
下载到本地 , 更方便阅读
声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架
论文部分内容阅读
Liquid argon flow along a nanochannel is studied using molecular dynamics (MD) simulation in this work.Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) is used as the MD simulator.The effects of reduced forces at 0.5,1.0 and 2.0 on argon flow on system energy in the form of system potential energy,pressure and velocity profile are described.Output in the form of three-dimensional visualization of the system at steady-state condition using Visual Molecular Dynamics (VMD) is provided to describe the dynamics of the argon atoms.The equilibrium state is reached after 16000 time steps.The effects on system energy,pressure and velocity profile due to reduced force of 2.0 (F2) are clearly distinguishable from the other two lower forces where sufficiently high net force along the direction of the nanochannel for F2 renders the attractive and repulsive forces between the argon atoms virtually non-existent.A reduced force of 0.5 (F0.5) provides liquid argon flow that approaches Poiseuille (laminar) flow as clearly shown by the n-shaped average velocity profile.The extension of the present MD model to a more practical application affords scientists and engineers a good option for simulation of other nanofluidic dynamics processes. Liquid argon flow along a nanochannel is studied using molecular dynamics (MD) simulation in this work. Large-scale Atomic / Molecular Massively Parallel Simulator (LAMMPS) is used as the MD simulator. The effects of reduced forces at 0.5, 1.0 and 2.0 on argon flow on system energy in the form of system potential energy, pressure and velocity profile are described. Output in the form of three-dimensional visualization of the system at steady-state condition using Visual Molecular Dynamics (VMD) is provided to describe the dynamics of the argon atoms. The equilibrium state is reached 16000 time steps. The effects on system energy, pressure and velocity profile due to reduced force of 2.0 (F2) are clearly distinguishable from the other two lower forces where sufficiently high net force along the direction of the nanochannel for F2 renders the attractive and repulsive forces between the argon atoms virtually non-existent. A reduced force of 0.5 (F0.5) provides liquid argon flow that approaches Poiseuille (laminar) flow as clearly shown by the n-shaped average velocity profile. The extension of the present MD model to a more practical application affords scientists and engineers a good option for simulation of other nanofluidic dynamics processes.
其他文献
Molecularly imprinted microspheres (MIP) for monocrotophos have been prepared by precipitation polymerization in acetonitrile (ACN) 60℃,24 h,using methacrylic
由福建师范大学地理系朱鹤健教授编著的《世界土壤地理》专门论著,已于1986年2月由北京高等教育出版社出版.该书以土壤与地理环境之间相互关系为线索,重点阐述全球和主要区域
四、养分之间的相互作用李比希的最小养分律是指作物产量往往为土壤中相对含量最小的一种养分所制约,作物的产量随着这种养分的增减而升降。如果不施用最小养分,而施用与之
在南海与中国的能源安全研讨会上 ,有专家建议 ,海南应创造条件 ,努力成为南海油气的补给基地、研发基地和加工基地 ,以此带动海南经济腾飞。实施海洋战略是缓解我国人口、资
在肿瘤治愈患者中可以发生一种与治疗有关的肿瘤。在普通人群中肉瘤少见,但它可以出现在经过放射治疗的原发肿瘤长期存活者中。恶性纤维组织细胞瘤(MFH)在这些患者的晚期生活中是最
恶性黑色素瘤是来源于黑色素细胞的恶性肿瘤,可发生于身体任何部位,但好发部位是皮肤。发生于鼻腔部者少见,易误诊而贻误治疗时机。为了提高对本病的认识,现报告3例鼻腔恶性黑色
滚滚延河水,巍巍宝塔山,几十年来,中国人民都向往着你——革命圣地延安。然而,在人们的记忆中,和延安这个名字相连的,不仅有小米红枣、安塞腰鼓,更有世代的穷困和黄土高坡的
偏关县地处晋西北黄土丘陵沟壑区,十年九旱 ,风大沙多,沟深坡陡,土质贫瘠,水土流失十分严重,土质一般为黄壤土,肥力低下,土质疏松,有机质含量少,缺水缺肥严重影响了造林成活
一、有机肥料与化学肥料配合使用。“有机肥料为主,化学肥料为辅,有机肥料与化学肥料配合使用”,这是从生产实践中总结出来的科学施肥原则。有机肥料做基肥,化肥作追肥,可以
笔者从北京市植物保护站获悉,2015年害虫天敌可持续利用国际研讨会近日在北京召开。来自中国、德国、法国、美国、马来西亚等多个国家生物防治领域的专家和学者围绕害虫天敌