scholarly journals Molecular Dynamics Simulation of Nanoscale Channel Flows with Rough Wall Using the Virtual-Wall Model

2018 ◽  
Vol 2018 ◽  
pp. 1-7
Author(s):  
Xiaohui Lin ◽  
Fu-bing Bao ◽  
Xiaoyan Gao ◽  
Jiemin Chen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Flow ◽  
Roughness Element ◽  
Fluid Velocity ◽  
Flow Characteristics ◽  
Rough Wall ◽  
Dynamics Simulation ◽  
Low Density ◽  
Wall Model

Molecular dynamics simulation is adopted in the present study to investigate the nanoscale gas flow characteristics in rough channels. The virtual-wall model for the rough wall is proposed and validated. The computational efficiency can be improved greatly by using this model, especially for the low-density gas flow in nanoscale channels. The effect of roughness element geometry on flow behaviors is then studied in detail. The fluid velocity decreases with the increase of roughness element height, while it increases with the increases of element width and spacing.

Study of gaseous velocity slip in nano-channel using molecular dynamics simulation

2014 ◽  
Vol 24 (6) ◽  
pp. 1338-1347 ◽  
Author(s):  
Fubing Bao ◽  
Zhihong Mao ◽  
Limin Qiu
Keyword(s):  
Molecular Dynamics ◽  
Gas Flow ◽  
Interaction Strength ◽  
Flow Characteristics ◽  
Velocity Slip ◽  
Dynamics Simulation ◽  
Wall Region ◽  
Content Type ◽  
Slip Phenomenon ◽  
Near Wall

Purpose – The purpose of this paper is to investigate the gas flow characteristics in near wall region and the velocity slip phenomenon on the wall in nano-channels based on the molecular dynamics simulation. Design/methodology/approach – An external gravity force was employed to drive the flow. The density and velocity profiles across the channel, and the velocity slip on the wall were studied, considering different gas temperatures and gas-solid interaction strengths. Findings – The simulation results demonstrate that a single layer of gas molecules is adsorbed on wall surface. The density of adsorption layer increases with the decrease of gas temperature and with increase of interaction strength. The near wall region extents several molecular diameters away from the wall. The density profile is flatter at higher temperature and the velocity profile has the traditional parabolic shape. The velocity slip on the wall increases with the increase of temperature and with decrease of interaction strength linearly. The average velocity decreases with the increase of gas-solid interaction strength. Originality/value – This research presents gas flow characteristics in near wall region and the velocity slip phenomenon on the wall in nano-channels. Some interesting results in nano-scale channels are obtained.

scholarly journals On the Microscopic Flow Characteristics of Nanofluids by Molecular Dynamics Simulation on Couette Flow

2012 ◽  
Vol 5 (1) ◽  
pp. 21-27 ◽  
Author(s):  
Wenzheng Cui ◽  
Minli Bai ◽  
Jizu Lv ◽  
Xiaojie Li
Keyword(s):  
Heat Transfer ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Heat Transfer Enhancement ◽  
Couette Flow ◽  
Flow Characteristics ◽  
Dynamics Simulation ◽  
Shear Direction ◽  
Transfer Enhancement ◽  
Microscopic Flow

Adding a small amount of nanoparticles to conventional fluids (nanofluids) has been proved to be an effective way for improving capability of heat transferring in base fluids. The change in micro structure of base fluids and micro motion of nanoparticles may be key factors for heat transfer enhancement of nanofluids. Therefore, it is essential to examine these mechanisms on microscopic level. The present work performed a Molecular Dynamics simulation on Couette flow of nanofluids and investigated the microscopic flow characteristics through visual observation and statistic analysis. It was found that the even-distributed liquid argon atoms near solid surfaces of nanoparticles could be seemed as a reform to base liquid and had contributed to heat transfer enhancement. In the process of Couette flow, nanoparticles moved quickly in the shear direction accompanying with motions of rotation and vibration in the other two directions. When the shearing velocity was increased, the motions of nanoparticles were strengthened significantly. The motions of nanoparticles could disturb the continuity of fluid and strengthen partial flowing around nanoparticles, and further enhanced heat transferring in nanofluids.

scholarly journals Molecular dynamics simulation of methane gas flow in nanopores

Petroleum ◽  
2019 ◽  
Vol 5 (3) ◽  
pp. 252-259 ◽  
Author(s):  
Jing Zhang ◽  
Guihong Pei ◽  
Liyin Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Flow ◽  
Dynamics Simulation ◽  
Methane Gas

The crystallization of low-density polyethylene: a molecular dynamics simulation

Polymer ◽  
2002 ◽  
Vol 43 (11) ◽  
pp. 3223-3227 ◽  
Author(s):  
Xiu-bin Zhang ◽  
Ze-sheng Li ◽  
Zhong-yuan Lu ◽  
Chia-Chung Sun
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Low Density Polyethylene ◽  
Low Density

Molecular dynamics simulation of nanofluid’s flow behaviors in the near-wall model and main flow model

2013 ◽  
Vol 17 (3) ◽  
pp. 581-589 ◽  
Author(s):  
Chengzhi Hu ◽  
Minli Bai ◽  
Jizu Lv ◽  
Peng Wang ◽  
Liang Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Flow Model ◽  
Main Flow ◽  
Dynamics Simulation ◽  
Wall Model ◽  
Near Wall
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