• Title/Summary/Keyword: Lattice gas

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Effect of the non-Coulombic Long-Range Forces and the Next Nearest Neighbor Interactions on the Lattice Properties of Alkali Halide Crystals

  • Shin, Yeon-Kyun;Kim, Yung-Sik
    • Bulletin of the Korean Chemical Society
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    • v.7 no.3
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    • pp.194-196
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    • 1986
  • The effect of the non-Coulombic long-range forces and the next nearest neighbor interactions on the lattice properties of alkali halide crystals is calculated using the Electron Gas model and Electron Gas Drude model. It is found that these often neglected interactions make changes in the lattice properties that are indeed small, but by no means negligible.

CONCENTRATION CONTOURS IN LATTICE AND GRAIN BOUNDARY DIFFUSION IN A POLYCRYSTALLINE SOLID

  • Kim, Yongsoo;Wonmok Jae;Saied, Usama-El;Donald R. Olander
    • Proceedings of the Korean Nuclear Society Conference
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    • 1995.05a
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    • pp.707-712
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    • 1995
  • Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusion can be estimated and used directly for low burn-up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed-form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission. gas release.

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Feasibility Study on the Gas-Liquid Multiphase by Lattice-Boltzmann Method in Two-Dimensions (Lattice-Boltzmann Method를 이용한 2차원 기체-액체간 거동 기초 연구)

  • Jung, Rho-Taek
    • Journal of the Korean Society for Marine Environment & Energy
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    • v.19 no.2
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    • pp.111-119
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    • 2016
  • Gas-Liquid multiphase flow simulation has been carried out using the Lattice boltzmann method. For the interface treatment, pseudo-potential model (Shan-Chen) was used with the Carnahan-Starling equation of state. Exact Difference Method also applied for the treatment of the force term. Through the developed code, we simulated coexsitence structure of high and low density, phase separation, surface tension effect, characteristics of moving interface, homogeneous and heterogeneous cavitation and bubble collaps.

Application of Monte Carlo Simulation to Intercalation Electrochemistry I. Thermodynamic Approach to Lithium Intercalation into LiMn2O4 Electrode

  • Kim, Sung-Woo;Pyun, Su-Il
    • Journal of the Korean Electrochemical Society
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    • v.5 no.2
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    • pp.79-85
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    • 2002
  • The present article is concerned with the application of the Monte Carlo simulation to electrochemistry of lithium intercalation from the thermodynamic view point. This article first introduced the fundamental concepts of the ensembles, and Ising and lattice gas models in statistical thermodynamics for the Monte Carlo simulation in brief. Finally the Monte Carlo method based upon the lattice gas model was employed to analyse thermodynamics of the lithium intercalation into the transition metal oxides. Especially we dealt with the thermodynamic properties as the electrode potential curve and the partial molar internal energy and entropy of lithium ion in the case of the $LiMn_2O_4$ electrode, and consequently confirmed the utility of the Monte Carlo method in the field of electrochemistry of the lithium intercalation.

Diffusion Range and Pool Formation in the Leakage of Liquid Hydrogen Storage Tank Using CFD Tools

  • Kim, Soohyeon;Lee, Minkyung;Kim, Junghwan;Lee, Jaehun
    • Applied Chemistry for Engineering
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    • v.33 no.6
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    • pp.653-660
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    • 2022
  • In liquid hydrogen storage tanks, tank damage or leakage in the surrounding pipes possess a major risk. Since these tanks store huge amounts of the fluid among all the liquid hydrogen process facilities, there is a high risk of leakage-related accidents. Therefore, in this study, we conducted a risk assessment of liquid hydrogen leakage for a grid-type liquid hydrogen storage tank (lattice-type pressure vessel (LPV): 18 m3) that overcame the low space efficiency of the existing pressure vessel shape. Through a commercially developed three-dimensional computational fluid dynamics program, the geometry of the site, where the liquid hydrogen storage tank will be installed, was obtained and simulations of the leakage scenarios for each situation were performed. From the computational flow analysis results, the pool formation behavior in the event of liquid hydrogen leakage was identified, and the resulting damage range was predicted.

Application of the lattice Boltzmann method to multiphase flow and combustion analysis (다상 유동 및 연소 해석에서 Lattice Boltzmann 방법의 응용 가능성에 대한 고찰)

  • Huh, Kang-Yul
    • 한국연소학회:학술대회논문집
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    • 2001.06a
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    • pp.3-8
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    • 2001
  • LBM은 분자 운동을 직접 모사하지 않고 통계 역학적 원리에 기초하여 주어진 격자 구조 아래서 입자들의 단순 이동, 충돌 과정의 반복에 의해 유동을 모사하는 방법이다. 이미 다양한 열유동 현상들에 대한 응용 결과가 발표되었으며 병렬화, 단순한 프로그래밍 등의 장점으로 인해 앞으로 연소, 다상 유동, micro/nano 스케일 유동 등의 해석에 많은 가능성을 지니고 있다. 아직 국내에서는 이에 대한 소개가 제대로 이루어지지 못해 관련 분야의 연구자들이 충분한 관심을 갖고 있지 않은 것으로 생각되어 본 논문에서 LBM 방법에 대한 개략적인 소개를 시도하였다.

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Multi-directional Pedestrian Model Based on Cellular Automata (CA기반의 다방향 보행자 시뮬레이션 모형개발)

  • Lee, Jun;Bae, Yun-Kyung;Chung, Jin-Hyuk
    • International Journal of Highway Engineering
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    • v.12 no.4
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    • pp.11-16
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    • 2010
  • Various researches have been performed on the topic of pedestrian traffic flow. At the beginning, the modeling and simulation method for the vehicular traffic flow was simply applied to pedestrian traffic flow. Recently, CA based simulation models are frequently applied to pedestrian flow analysis. Initially, the square Lattice Model is a base model for applying to pedestrians of counterflow and then Hexagonal Lattice Model improves its network as a hexagonal cell for more realistic movement of the avoidance of pedestrian conflicts. However these lattice models express only one directional movement because they express only one directional movement. In this paper, MLPM (the Multi-Layer Pedestrian Model) is suggested to give various origins and destinations for more realistic pedestrian motion in some place.

CURVED BOUNDARY TREATMENT OF THE LATTICE BOLTZMANN METHOD FOR SLIP FLOW SIMULATIONS (Slip flow 해석을 위한 격자볼츠만 방법의 곡면처리기법)

  • Jeong, Namgyun
    • Journal of computational fluids engineering
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    • v.19 no.3
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    • pp.77-84
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    • 2014
  • The lattice Boltzmann (LB) method has been used to simulate rarefied gas flows in a micro-system as an alternative tool. However, previous results were mainly focused on a simple geometry with flat walls because the LB method is modeled on uniform Cartesian lattices. When previous boundary conditions for the microflows are applied to curved walls, the use of them requires approximation of the curved boundary by a series of stair steps, and introduces additional errors. For macroflows, no-slip curved wall boundary treatments have been developed remarkably in order to overcome these limits. However, the investigations for the slip curved wall boundary have rarely been performed for microflows. In this work, a curved boundary treatment of the LB method for a slip flow has been introduced. The results of the LB method for 2D microchannel and 3D microtube flows are in excellent agreement with the analytical solutions.

Second Order Bounce Back Boundary Condition for the Latice Boltzmann Fluid Simulation

  • Kim, In-Chan
    • Journal of Mechanical Science and Technology
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    • v.14 no.1
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    • pp.84-92
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    • 2000
  • A new bounce back boundary method of the second order in error is proposed for the lattice Boltzmann fluid simulation. This new method can be used for the arbitrarily irregular lattice geometry of a non-slip boundary. The traditional bounce back boundary condition for the lattice Boltzmann simulation is of the first order in error. Since the lattice Boltzmann method is the second order scheme by itself, a boundary technique of the second order has been desired to replace the first order bounce back method. This study shows that, contrary to the common belief that the bounce back boundary condition is unilaterally of the first order, the second order bounce back boundary condition can be realized. This study also shows that there exists a generalized bounce back technique that can be characterized by a single interpolation parameter. The second order bounce back method can be obtained by proper selection of this parameter in accordance with the detailed lattice geometry of the boundary. For an illustrative purpose, the transient Couette and the plane Poiseuille flows are solved by the lattice Boltzmann simulation with various boundary conditions. The results show that the generalized bounce back method yields the second order behavior in the error of the solution, provided that the interpolation parameter is properly selected. Coupled with its intuitive nature and the ease of implementation, the bounce back method can be as good as any second order boundary method.

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