• Transactions of the Korean Society of Mechanical Engineers B
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• v.31 no.7 s.262
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• pp.620-627
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• 2007

In this paper, we adapt a modified internal energy non-equilibrium first-order extrapolation thermal boundary condition to the thermal lattice Boltzmann model (TLBM). This model is the double populations approach to simulate hydrodynamic and thermal fields. The bounce-back boundary condition which is a traditional boundary condition of lattice Boltzmann method has only a first order in numerical accuracy at the boundary and numerical instability. A non-equilibrium first-order extrapolation boundary condition has been verified to be of better numerical stability than the bounce-back boundary condition and this boundary condition is proved to be of second-order accuracy for the flat boundaries. The two-dimensional natural convection flow in a square cavity with Pr=0.71 and various Rayleigh numbers are simulated. The results are found to be in good agreement with those of previous studies.

• Nuclear Engineering and Technology
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• v.52 no.4
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• pp.755-763
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• 2020

The critical flow phenomenon has been studied because of its significant effect for design basis accidents in nuclear power plants. Transition points from thermal non-equilibrium to equilibrium are different according to the geometric effect on the critical flow. This study evaluates the uncertainty parameters of the critical flow model for analysis of DBA (Design Basis Accident) with the MARS-KS (Multi-dimensional Analysis for Reactor Safety-KINS Standard) code used as an independent regulatory assessment. The uncertainty of the critical flow model is represented by three parameters including the thermal non-equilibrium factor, discharge coefficient, and length to diameter (L/D) ratio, and their ranges are determined using large-scale Marviken test data. The uncertainty range of the thermal non-equilibrium factor is updated by the MCDA (Model Calibration through Data Assimilation) method. The updated uncertainty range is confirmed using an LBLOCA (Large Break Loss of Coolant Accident) experiment in the LOFT (Loss of Fluid Test) facility. The uncertainty ranges are also used to calculate an LBLOCA of the APR (Advanced Power Reactor) 1400 NPP (Nuclear Power Plants), focusing on the effect of the PCT (Peak Cladding Temperature). The results reveal that break flow is strongly dependent on the degree of the thermal non-equilibrium state in a ruptured pipe with a small L/D ratio. Moreover, this study provides the method to handle the thermal non-equilibrium factor, discharge coefficient, and length to diameter (L/D) ratio in the system code.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.315-322
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• 1991

In a recent $paper^1$ we reported equilibrium (EMD) and non-equilibrium (NEMD) molecular dynamics simulations of liquid argon using the Green-Kubo relations and NEMD algorithms to calculate the thermal transport coefficients-the self-diffusion coefficient, shear viscosity, and thermal conductivity. The overall agreement with experimental data is quite good. In this paper the same technique is applied to calculate the thermal transport coefficients of liquid water at 298.15 K and 1 atm using TIP4P model for the interaction between water molecules. The EMD results show difficulty to apply the Green-Kubo relations since the time-correlation functions of liquid water are oscillating and not decaying rapidly enough except the velocity auto-correlation function. The NEMD results are found to be within approximately ${\pm}$30-40% error bars, which makes it possible to apply the NEMD technique to other molecular liquids.

• Bulletin of the Korean Chemical Society
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• v.12 no.3
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• pp.309-315
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• 1991

The thermal transport coefficients-the self-diffusion coefficient, shear viscosity, and thermal conductivity-of liquid argon at 94.4 K and 1 atm are calculated by non-equilibrium molecular dynamics (NEMD) simulations of a Lennard-Jones potential and compared with those obtained from Green-Kubo relations using equilibrium molecular dynamics (EMD) simulations and with experimental data. The time-correlation functions-the velocity, pressure, and heat flux auto-correlation functions-of liquid argon obtained from the EMD simulations show well-behaved smooth curves which are not oscillating and decaying fast around 1.5 ps. The calculated self-diffusion coefficient from our NEMD simulation is found to be approximately 40% higher than the experimental result. The Lagrange extrapolated shear viscosity is in good agreement with the experimental result and the asymptotic formula of the calculated shear viscosities seems to be an exponential form rather than the square-root form predicted by other NEMD studies of shear viscosity. The agreement for thermal conductivity between the simulation results (NEMD and EMD) and the experimental result is within statistical error. In conclusion, through our NEMD and EMD simulations, the overall agreement is quite good, which means that the Green-Kubo relations and the NEMD algorithms of thermal transport coefficients for simple liquids are valid.

• Journal of computational fluids engineering
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• v.20 no.3
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• pp.1-7
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• 2015

When the steam is used as working fluid in fluid machinery, different from other gases as air, phase transition (steam condensation) can occur and it affects not only the flow fields, but also machine performance & efficiency. Therefore, considering phase transition phenomena in CFD calculation is required to achieve accurate prediction of steam flow and non-equilibrium wet-steam model is needed to simulate realistic steam condensing flow. In this research, non-equilibrium wet-steam model is implemented on in-house code(T-Flow), the flow fields including phase transition phenomena in convergent-divergent nozzle are studied and compared to results of advance researches.

• Structural Engineering and Mechanics
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• v.18 no.1
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• pp.59-78
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• 2004

This paper is devoted to illustrate some numerical procedures to solve the boundary equilibrium problems of three-dimensional solids that are subjected to thermal strains. The constitutive equations take into account the bounded tensile strength of the material and they are presented in the framework of non-linear elasticity and small strains. The associated equilibrium problem is solved numerically by means of the finite element method and the numerical techniques, i.e. the Newton-Raphson method and the secant method, are revised in order to assure the solution convergence of the discretized problem. Some numerical examples are illustrated.

• Nuclear Engineering and Technology
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• v.37 no.5
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• pp.457-468
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• 2005

An experimental study on post-CHF heat transfer has been performed with a $3\times3$ rod bundle using a vertical steam-water two-phase flow at low flow conditions. The effects of various parameters on the post-CHF heat transfer are investigated and the reasons for the parametric effects are discussed. As the heat transfer regime changes from CHF to post-CHF, the radial wall temperature distribution is changed depending on the pressure and the mass flux conditions. The superheat of the fluid increases considerably with an increase of the wall temperature (or heat flux) and with a decrease of the mass flux. This implies, indirectly, a strong thermal non-equilibrium at high wall temperature and low mass flux conditions. In order to improve the prediction accuracy of the existing post-CHF correlations, it is necessary to perform more experiments, particularly direct measurement of the vapor superheat, and to modify the correlation by considering a strong thermal non-equilibrium at low flow and low pressure conditions.

• Bulletin of the Korean Chemical Society
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• v.25 no.5
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• pp.737-741
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• 2004

We presents new results for transport properties of dumbbell fluids by equilibrium molecular dynamics (EMD) simulations using Green-Kubo and Einstein formulas. It is evident that the interaction between dumbbell molecules is less attractive than that between spherical molecules which leads to higher diffusion and to lower friction. The calculated viscosity, however, is almost independent on the molecular elongation within statistical error bar, which is contradicted to the Stokes' law. The calculated thermal conductivity increases and then decreases as molecular elongation increases. These results of viscosity and thermal conductivity for dumbbell molecules by EMD simulations are inconsistent with the earlier results of those by non-equilibrium molecular dynamics (NEMD) simulations. The possible limitation of the Green-Kubo and Einstein formulas with regard to the calculations of viscosity and thermal conductivity for molecular fluids such as the missing rotational degree of freedom is pointed out.

• 한국전산유체공학회:학술대회논문집
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• 2001.05a
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• pp.144-148
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• 2001

Characteristics of high temperature rocket nozzle flow is discussed along with the aspects of computational analysis. Three methods of nozzle flow analysis, frozen-equilibrium, shifting-equilibrium and non-equilibrium approaches, were discussed those were coupled with the methods of computational fluid dynamics. A chemical equilibrium code developed for the analysis of general hydrocarbon fuel was coupled with three approaches of nozzle flow analysis, and a test was made for a bell nozzle at typical operation condition. As a results, the characteristics of the approaches were discussed in aspects of rocket performance, thermal analysis and computational efficiency.

• Journal of computational fluids engineering
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• v.13 no.3
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• pp.51-61
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• 2008

The SMAC (Simplified Marker And Cell) algorithm is extended for an application to thermal non-equilibrium two-phase flows in light water nuclear reactors (LWRs). A two-fluid three-field model is adopted and a multi-dimensional unstructured grid is used for complicated geometries. The phase change and the time derivative terms appearing in the continuity equations are implemented implicitly in a pressure correction equation. The energy equations are decoupled from the momentum equations for faster convergence. The verification of the present numerical method was carried out against a set of test problems which includes the single and the two-phase flows. The results are also compared to those of the semi-implicit ICE method, where the energy equations are coupled with the momentum equation for pressure correction.