scholarly journals Investigating the Effect of Solid Boundaries on the Gas Molecular Mean-Free-Path

2009 ◽  
Author(s):  
Erik J. Arlemark ◽  
Jason M. Reese
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Free Path ◽  
Mean Free Path ◽  
Gas Flows ◽  
Standard Temperature ◽  
Binary Collisions ◽  
The Mean ◽  
Temperature And Pressure ◽  
Definition Of

A key parameter for micro-gas-flows, the mean free path, is investigated in this paper. The mean free path is used in various models for predicting micro gas flows, both in the governing equations and their boundary conditions. The conventional definition of the mean free path is based on the assumption that only binary collisions occur and is commonly described using the macroscopic quantities density, viscosity and temperature. In this paper we compare the prediction by this definition of the mean free paths for helium, neon and argon gases under standard temperature and pressure conditions, with the mean free paths achieved by measurements of individual molecules using the numerical simulation technique of molecular dynamics. Our simulation using molecular dynamics consists of a cube with six periodic boundary conditions, allowing us to simulate an unconfined gas “package”. Although, the size of this package is important, since its impact on computational cost is considerable, it is also important to have enough simulated molecules to average data from. We find that the molecular dynamics method using 20520 simulated molecules yields results that are within 1% accuracy from the conventional definition of the mean free paths for neon and argon and within 2.5% for helium. We can also conclude that the normal approximation of only considering binary collisions is seemingly adequate for these gases under standard temperature and pressure conditions. We introduce a single planar wall and two parallel planar walls to the simulated gas of neon and record the mean free paths at various distances to the walls. It is found that the mean free paths affected by molecular collisions with the walls corresponds well with theoretical models up to Knudsen numbers of 0.2.

scholarly journals An Extension to the Navier-Stokes-Fourier Equations by Considering Molecular Collisions With Boundaries

2008 ◽  
Author(s):  
Erik J. Arlemark ◽  
S. Kokou Dadzie ◽  
Jason M. Reese
Keyword(s):  
Free Path ◽  
Velocity Slip ◽  
Mean Free Path ◽  
Navier Stokes ◽  
Gas Flows ◽  
Molecular Collisions ◽  
Path Expression ◽  
The Mean ◽  
Definition Of ◽  
Further Development

In this paper we propose a model for micro gas flows consisting of the Navier-Stokes-Fourier equations (NSF) extended by a description of molecular collisions with solid boundaries and discontinuous velocity slip and temperature jump boundary conditions. By considering the molecular collisions with the solid boundaries in gas flows we capture some of the near wall effects that the conventional NSF with linear stress/strain-rate and heat-flux/temperature-gradient relationships seem to be unable to describe. The model that we propose incorporates the molecular collisions with solid boundaries as an extension to the conventional definition of the average travelling distance of molecules before experiencing intermolecular collisions (the mean free path). By considering both of these types of collisions we obtain an effective mean free path expression, which varies with distance to surfaces. The effective mean free path is proposed to be used to obtain new definitions of effective viscosity and effective thermal conductivity, which will extend the applicability of NSF equations to higher Knudsen numbers. We show results of simple flow cases that are solved using this extended NSF model and discuss limitations to the model due to various assumptions. We also mention interesting ideas for further development of the model based on a more detailed gas description.

scholarly journals Ballistic Heat Transport in Nanocomposite: The Role of the Shape and Interconnection of Nanoinclusions

Nanomaterials ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 1982
Author(s):  
Paul Desmarchelier ◽  
Alice Carré ◽  
Konstantinos Termentzidis ◽  
Anne Tanguy
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Free Path ◽  
Mean Free Path ◽  
Strong Increase ◽  
Moderate Increase ◽  
Energy Propagation ◽  
The Mean ◽  
Dynamics Simulations

In this article, the effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using molecular dynamics simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an interconnected mesh of nanowires. Wave-packet simulations scanning different polarizations and frequencies reveal that the interconnection of the nanoinclusions at constant volume fraction induces a strong increase of the mean free path of high frequency phonons, but does not affect the energy diffusivity. The mean free path and energy diffusivity are then used to estimate the thermal conductivity, showing an enhancement of the effective thermal conductivity due to the existence of crystalline structural interconnections. This enhancement is dominated by the ballistic transport of phonons. Equilibrium molecular dynamics simulations confirm the tendency, although less markedly. This leads to the observation that coherent energy propagation with a moderate increase of the thermal conductivity is possible. These findings could be useful for energy harvesting applications, thermal management or for mechanical information processing.

scholarly journals Determination of the coefficient of inter-diffusion of gases and the velocity of ions under an electric force, in terms of mean free paths

1912 ◽  
Vol 86 (586) ◽  
pp. 197-206 ◽  
Keyword(s):  
Free Path ◽  
Equations Of Motion ◽  
Mean Free Path ◽  
Electric Force ◽  
Mean Velocity ◽  
The Mean ◽  
Definition Of ◽  
Good Agreement ◽  
Diffusion Of Gases

1. The properties of gases which depend on the velocity of agitation of molecules and the lengths of their free paths may easily be expressed in terms of the mean velocity of agitation and the mean free path when certain assumptions are made in order to simplify the investigations. The expressions thus found on the principles of the kinetic theory are in good agreement with the experimental results in most cases, but the formulæ that have been obtained for the coefficient of inter-diffusion of gases and the velocity of particles acted on by an external force are not so satisfactory. The equations of motion of two inter-diffusing gases have been given by Maxwell, and it may be shown from these that the exact value of the ratio of the coefficient of diffusion of ions to the velocity under unit electric force is N e /II, where N is the number of molecules per cubic centimetre of a gas at pressure II, and e the charge on an ion. The method adopted by Maxwell is perfectly general, there are no assumptions made as to the distribution of the velocities of agitation, and no particular definition of a collision of a free path is involved, so that there can be little doubt as to the accuracy of the result.

Accuracy of the Lattice-Boltzmann Method

1997 ◽  
Vol 08 (04) ◽  
pp. 747-752 ◽  
Author(s):  
Robert S. Maier ◽  
Robert S. Bernard
Keyword(s):  
Mach Number ◽  
Boundary Conditions ◽  
Lattice Boltzmann Method ◽  
Free Path ◽  
Lattice Boltzmann ◽  
Mean Free Path ◽  
Duct Flow ◽  
Reynolds Number Flow ◽  
The Mean ◽  
Boltzmann Method

The accuracy of the lattice-Boltzmann method (LBM) is moderated by several factors, including Mach number, spatial resolution, boundary conditions, and the lattice mean free path. Results obtained with 3D lattices suggest that the accuracy of certain two-dimensional (2D) flows, such as Poiseuille and Couette flow, persist even when the mean free path between collisions is large, but that of the 3D duct flow deteriorates markedly when the mean free path exceeds the lattice spacing. Accuracy in general decreases with Knudsen number and Mach number, and the product of these two quantities is a useful index for the applicability of LBM to 3D low-Reynolds-number flow. The influence of boundary representations on LBM accuracy is captured by the proposed index, when the accuracy of the prescribed boundary conditions is consistent with that of LBM.

Experiments on the flow of heat in liquid helium below 0.7 °K

1958 ◽  
Vol 246 (1246) ◽  
pp. 390-405 ◽  
Keyword(s):  
Thermal Conductivity ◽  
Liquid Helium ◽  
Free Path ◽  
Empirical Relation ◽  
Mean Free Path ◽  
Series Of Experiments ◽  
The Mean ◽  
Set Up ◽  
Low Pressures ◽  
Measured Thermal Conductivity

A series of experiments has been performed to study the steady flow of heat in liquid helium in tubes of diameter 0.05 to 1.0 cm at temperatures between 0.25 and 0.7 °K. The results are interpreted in terms of the flow of a gas of phonons, in which the mean free path λ varies with temperature, and may be either greater or less than the diameter of the tube d . When λ ≫ d the flow is limited by the scattering of the phonons at the walls, and the effect of the surface has been studied, but when λ ≪ d viscous flow is set up in which the measured thermal conductivity is increased above that for wall scattering. This behaviour is very similar to that observed in the flow of gases at low pressures, and by applying kinetic theory to the problem it can be shown that the mean free path of the phonons characterizing viscosity can be expressed by the empirical relation λ = 3.8 x 10 -3 T -4.3 cm. This result is inconsistent with the temperature dependence of λ as T -9 predicted theoretically by Landau & Khalatnikov (1949).

Light scattering by phonons in the presence of a heat flow

1968 ◽  
Vol 46 (24) ◽  
pp. 2843-2845 ◽  
Author(s):  
Allan Griffin
Keyword(s):  
Light Scattering ◽  
Heat Flow ◽  
Temperature Gradient ◽  
Free Path ◽  
Mean Free Path ◽  
Photon Scattering ◽  
The Mean ◽  
Anti Stokes

If the temperature in an insulating crystal decreases in the z-direction, there are more phonons with momentum qz > 0 than with qz < 0. The resulting difference between the Stokes and anti-Stokes Brillouin intensities is proportional to the mean free path of the phonon involved and to the temperature gradient. The effect should be observable by either neutron or photon scattering.

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