Journal ArticleDOI
The effect of characteristic length on mean free path for confined gases
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In this article, the influence of system boundaries and characteristic length (L) of the system on the mean free path (MFP) of rarefied gas confined to the walls of a nano-channel Isothermal Lennard-Jones fluid confined between Reflective walls and platinum walls at different number densities (031, atoms/nm3 and 161,atoms /nm3) are independently considered.Abstract:
Molecular Dynamics simulations are performed to investigate the influence of system boundaries and characteristic length (L) of the system on the mean free path (MFP) of rarefied gas confined to the walls of a nano-channel Isothermal Lennard-Jones fluid confined between Reflective walls and platinum walls at different number densities (031 atoms/nm3 and 161 atoms/nm3) are independently considered The MFP is calculated by the Lagrangian approach of tracking the trajectory of each atom and averaging the distance between successive collisions The percentage of fluid–wall collisions is observed to predominate over fluid–fluid collisions at high levels of rarefaction The influence of L (varying from 6 nm to 16 nm) on MFP is examined in this regime At lower Knudsen number (Kn), it is observed that the effect of L on MFP is minimal However, at higher rarefaction the characteristic dimension influences the MFP significantly for various wall configurationsread more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
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A Theoretical Analysis of Pore Size Distribution Effects on Shale Apparent Permeability
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Effective mean free path and viscosity of confined gases
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References
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Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Book
Computer Simulation of Liquids
Michael P. Allen,D. J. Tildesley +1 more
TL;DR: In this paper, the gear predictor -corrector is used to calculate forces and torques in a non-equilibrium molecular dynamics simulation using Monte Carlo methods. But it is not suitable for the gear prediction problem.
Book
Molecular Gas Dynamics and the Direct Simulation of Gas Flows
TL;DR: The direct simulation Monte Carlo (or DSMC) method has, in recent years, become widely used in engineering and scientific studies of gas flows that involve low densities or very small physical dimensions as mentioned in this paper.