• Bulletin of the Korean Chemical Society
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• v.35 no.12
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• pp.3527-3531
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• 2014

In this paper, we report thermodynamic and transport properties (diffusion coefficient, viscosity, and thermal conductivity) of diatomic gases ($H_2$, $N_2$, $O_2$, and $Cl_2$) at 273.15 K and 1.00 atm by performing molecular dynamics simulations using Lennard-Jones intermolecular potential and modified Green-Kubo formulas. The results of self-diffusion coefficients of diatomic gases obtained from velocity auto-correlation functions by Green-Kubo relation are in good agreement with those obtained from mean square displacements by Einstein relation. While the results for viscosities of diatomic gases obtained from stress auto-correlation functions underestimate the experimental results, those for thermal conductivities obtained from heat flux auto-correlation functions overestimate the experimental data except $H_2$.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.30 no.5
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• pp.32-40
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• 2002

The study of nonlinear gas transport in rarefied condition or associated with the microscale length of the geometry has emerged as an interesting topic in recent years. Along with the DSMC method, several fluid dynamic models that come under the general category of the moment method or the Chapman-Enskog method have been used for this type of problem. In the present study, on the basis of Eu's generalized hydrodynamics, computational models for diatomic gases are developed. The rotational nonequilibrium effect is included by introducing excess normal stress associated with the bulk viscosity of the gas. The new models are applied to study the one-dimensional shock structure and the multi-dimensional rarefied hypersonic flow about a blunt body. The results indicate that the bulk viscosity plays a considerable role in fundamental flow problems such as the shock structure and shear flow. An excellent agreement with experiment is observed for the inverse shock density thickness.

• 한국전산유체공학회:학술대회논문집
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• 2001.05a
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• pp.111-115
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• 2001

The study of nonlinear gas transport in rarefied condition or associated with the microscale length of the geometry has emerged as an interesting topic in recent years. Along with the DSMC method, several fluid dynamic models that come under the general category of the moment method or the Chapman-Enskog method have been used for this type of problem. In the present study, on the basis of Eu's generalized hydrodynamics, a computational model for diatomic gases is proposed. The preliminary result indicates that the bulk viscosity plays a considerable role in fundamental flow problems such as the shock structure and shear flow. The general properties of the constitutive equations are obtained through a simple mathematical analysis. With an iterative computational algorithm of the constitutive equations, numerical solutions for the multi-dimensional problem can be obtained.

• Journal of the Society of Naval Architects of Korea
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• v.43 no.5 s.149
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• pp.586-596
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• 2006

A 3-dimensional FDLB model with additional internal degree of freedom is applied for diatomic gases such as air, in which an additional distribution function is introduced. Direct simulations of aero-acoustic by using the applied model and scheme are presented. Speed of sound is correctly recovered. As typical examples, the Aeolian tone emitted by a circular column is successfully simulated even very low Mach number flow. Acoustic pressure fluctuations with the same frequency of the Karman vortex street compared with the pressure fluctuation around a circular column is captured. Full three-dimensional acoustic wave past a compact block like pentagon, furthermore, is also emitted in y direction as dipole like sound.

• Proceedings of the Korean Vacuum Society Conference
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• 1999.07a
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• pp.188-188
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• 1999

The embedded atom method (EAM) of Daw and Baskes as a semiempirical method, has been successfully applied to the fcc or nearly filled d-band transition metals due to its computational feasibility and its methodological simplicity. Then Baskes modified the EAM (MEAM) to include directional bonding and applied it to metals, semiconductors, and diatomic gases, all of which have different types of bondings. Here, we present a detailed study of the energetics of adsorption on the fcc(111) surfaces and binary system within the framework of MEAM. In adsorption on fcc(111) surfaces, there are two energetically favored sites, so called, fcc site and hcp site, which may trigger stacking fault in the growth of films and might switch growth mode between 3D growth and layer by layer growth. We scrutinized the role of the hcp sites, which would offer dynamic growth pathways although the dynamics are not yet clear within the limited experimental resolution. Featuring these transient motions in the atomic level should contribute to the understanding the growth mechanisms on fcc(111) surface. And we also applied MEAM for initial stage energetics at the Cr coverage of sub- monolayer on W(110). We hope that recently observed extraordinary growth behavior at the Cr coverage of 0.7 monolayer, self- organized nano-scale lines, can be resolved in this MEAM binary system calculation.

• Journal of Ship and Ocean Technology
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• v.12 no.1
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• pp.1-15
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• 2008

An edgetone is the discrete tone or narrow-band sound produced by an oscillating free shear layer, impinging on a rigid surface. In this paper, 2-dimensional edgetone to predict the frequency characteristics of the discrete oscillations of a jet-edge feedback cycle is presented using lattice Boltmznan model with 21 bits, which is introduced a flexible specific heat ratio y to simulate diatomic gases like air. The blown jet is given a parabolic inflow profile for the velocity, and the edges consist of wedges with angle 20 degree (for symmetric wedge) and 23 degree (for inclined wedge), respectively. At a stand-off distance w, the edge is inserted along the centerline of the jet, and a sinuous instability wave with real frequency is assumed to be created in the vicinity of the nozzle exit and to propagate towards the downward. Present results presented have shown in capturing small pressure fluctuating resulting from periodic oscillation of the jet around the edge. The pressure fluctuations propagate with the speed of sound. Their interaction with the wedge produces an irrotational feedback field which, near the nozzle exit, is a periodic transverse flow producing the singularities at the nozzle lips. It is found that, as the numerical example, satisfactory simulation results on the edgetone can be obtained for the complex flow-edge interaction mechanism, demonstrating the capability of the lattice Boltzmann model with flexible specific heat ratio to predict flow-induced noises in the ventilating systems of ship.

• Journal of Mechanical Science and Technology
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• v.19 no.11
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• pp.2032-2039
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• 2005

The lattice Boltzman method (LBM) and the finite difference-based lattice Boltzmann method (FDLBM) are quite recent approaches for simulating fluid flow, which have been proven as valid and efficient tools in a variety of complex flow problems. They are considered attractive alternatives to conventional finite-difference schemes because they recover the Navier-Stokes equations and are computationally more stable, and easily parallelizable. However, most models of the LBM or FDLBM are for incompressible fluids because of the simplicity of the structure of the model. Although some models for compressible thermal fluids have been introduced, these models are for monatomic gases, and suffer from the instability in calculations. A lattice BGK model based on a finite difference scheme with an internal degree of freedom is employed and it is shown that a diatomic gas such as air is successfully simulated. In this research we present a 2-dimensional edge tone to predict the frequency characteristics of discrete oscillations of a jet-edge feedback cycle by the FDLBM in which any specific heat ratio $\gamma$ can be chosen freely. The jet is chosen long enough in order to guarantee the parabolic velocity profile of a jet at the outlet, and the edge is of an angle of $\alpha$=23$^{o}$. At a stand-off distance w, the edge is inserted along the centerline of the jet, and a sinuous instability wave with real frequency is assumed to be created in the vicinity of the nozzle exit and to propagate towards the downstream. We have succeeded in capturing very small pressure fluctuations resulting from periodic oscillation of the jet around the edge.

• Journal of Advanced Marine Engineering and Technology
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• v.32 no.1
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• pp.82-93
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• 2008

The flowfield behind two cylinders and flow-induced noise generated from the cylinders in various arrangement are numerically investigated based on the finite difference lattice Boltzmann model with 21 velocity bits. which is introduced a flexible specific heat ${\gamma}$ to simulate diatomic gases like air. In an isolated cylinder with two type of mesh. some flow parameters such as Strouhal number $S_t$ and acoustic pressure ${\Delta}p$ simulated from the solution are given and quantitatively compared with those provided the previous works. The effects of the center-to-center pitch ratio $L_{cc}/d=2.0$ in staggered circular cylinders as shown in Fig. 1 and angles of incidence ${\alpha}=30^{\circ}(T_{cc}/d=0.5)$, $45^{\circ}(T_{cc}/d =0.707)$ and $60^{\circ}\;(T_{cc}/d=0.866)$, respectively, are studied. Our analysis focuses on the small-scale instabilities of vortex shedding, which occurs in staggered arrangement. With the results of drag $C_d$ and lift $C_l$ coefficients and vorticity contours. the mechanisms of the interference phenomenon and its interaction with the two-dimensional vortical structures are present in the flowfields under $Re\;{\le}\;200$. The results show that we successively capture very small pressure fluctuations, with the same frequency of vortex shedding, much smaller than the whole pressure fluctuation around pairs of circular cylinders. The upstream cylinder behaves like an isolated single cylinder, while the downstream one experiences wake-induced flutter. It is expected that, therefore, the relative position of the downstream cylinder has significant effects on the flow-induce noise, hydrodynamic force and vortex shedding characteristics of the cylinders.