scholarly journals Temperature relaxation in binary hard-sphere mixture system: Molecular dynamics and kinetic theory study

2020 ◽  
Vol 153 (3) ◽  
pp. 034114
Author(s):  
Shigenori Tanaka ◽  
Kohei Shimamura
Keyword(s):  
Molecular Dynamics ◽  
Kinetic Theory ◽  
Hard Sphere ◽  
Temperature Relaxation ◽  
Mixture System

Molecular dynamics by neutron scattering in pure hydrogen and a mixture of hydrogen and argon gases

1980 ◽  
Vol 58 (3) ◽  
pp. 289-293 ◽  
Author(s):  
R. McPherson ◽  
P. A. Egelstaff
Keyword(s):  
Molecular Dynamics ◽  
Correlation Function ◽  
Relaxation Time ◽  
Kinetic Theory ◽  
Hard Sphere ◽  
Relaxation Times ◽  
Pure Hydrogen ◽  
Auto Correlation ◽  
Auto Correlation Function ◽  
Similar Density

The inelastic scattering of 2.4 Å neutrons by two states of pure hydrogen and two states of a mixture of hydrogen and argon (at a similar density) have been studied. From these data relaxation times for the velocity auto-correlation function of each state are obtained and are compared to the predictions of a simple hard sphere kinetic theory. It is found that, although the relaxation time depends on the momentum transfer, for pure hydrogen the prediction is in general agreement with experiment. For the mixture the prediction is about 2.5 times larger than the measured values, which is attributed to the reduction in the 'persistence' of the velocity after a collision.

Numerical Methods for the Kinetic Theory of Fluids

2018 ◽  
Author(s):  
Sauro Succi
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Numerical Methods ◽  
Kinetic Theory ◽  
Computational Efficiency ◽  
Lattice Boltzmann ◽  
Direct Simulation Monte Carlo ◽  
Particle Methods ◽  
Direct Simulation ◽  
Simulation Monte Carlo

This chapter provides a bird’s eye view of the main numerical particle methods used in the kinetic theory of fluids, the main purpose being of locating Lattice Boltzmann in the broader context of computational kinetic theory. The leading numerical methods for dense and rarified fluids are Molecular Dynamics (MD) and Direct Simulation Monte Carlo (DSMC), respectively. These methods date of the mid 50s and 60s, respectively, and, ever since, they have undergone a series of impressive developments and refinements which have turned them in major tools of investigation, discovery and design. However, they are both very demanding on computational grounds, which motivates a ceaseless demand for new and improved variants aimed at enhancing their computational efficiency without losing physical fidelity and vice versa, enhance their physical fidelity without compromising computational viability.

Molecular dynamics of a hard sphere fluid in small pores

1979 ◽  
Vol 38 (4) ◽  
pp. 1061-1066 ◽  
Author(s):  
G. Subramanian ◽  
H.T. Davis
Keyword(s):  
Molecular Dynamics ◽  
Hard Sphere ◽  
Hard Sphere Fluid
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