YIN Chun-Yang, El-Harbawi Mohanad. Simulation of Liquid Argon Flow along a Nanochannel:Effect of Applied Force[J]. , 2009, 17(5): 734-738.
DOI:
YIN Chun-Yang, El-Harbawi Mohanad. Simulation of Liquid Argon Flow along a Nanochannel:Effect of Applied Force[J]. , 2009, 17(5): 734-738.DOI: 10.1016/S1004-9541(08)60269-4.
Simulation of Liquid Argon Flow along a Nanochannel:Effect of Applied Force
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.
关键词
Keywords
references
The trial reading is over, you can activate your VIP account to continue reading.
Effects of Li2O on the thermodynamic properties of LiCl-UCl3 molten salt: A first-principles molecular dynamics study
Adsorption behavior and inhibition performance of octadecyl dimethyl benzyl ammonium chloride on steel surface in phosphoric acid medium: Experimental and theoretical investigations
Conformational changes of a complex of two oppositely charged polyelectrolytes on the surface of a polarized spherical metal nanoparticle
Influence of mineral species on oil–soil interfacial interaction in petroleum-contaminated soils
Structure and dynamics of water in TiO2 nano slits: The influence of interfacial interactions and pore sizes
Related Author
Yafei Wang
Xinyu Zhang
Jia Song
Yuan Yin
Lve Lin
Wentao Zhou
Xianghong Li
Shuduan Deng
Related Institution
School of Nuclear Science and Engineering, Shanghai Jiao Tong University
Key Laboratory of Yunnan Provincial Department of Education on Highly-Efficient Utilization of Agricultural and Forest Wastes, Southwest Forestry University
College of Materials and Chemical Engineering, Southwest Forestry University
Center of Laser and Informational Biophysics, Orenburg State University
School of Chemical Engineering and Technology, China University of Mining and Technology