• Title/Summary/Keyword: atomic simulations

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Numerical Study of Hydrogen Desorption in a Metal Hydride Hydrogen Storage Vessel (금속수소화물 수소 저장 용기 내부의 수소방출에 대한 수치해석적 연구)

  • Kang, Kyung-Mun;Nam, Jin-Moo;Yoo, Ha-Neul;Ju, Hyun-Chul
    • Transactions of the Korean hydrogen and new energy society
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    • v.22 no.3
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    • pp.363-371
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    • 2011
  • In this paper, a three-dimensional hydrogen desorption model is developed to precisely study the hydrogen desorption kinetics and resultant heat and mass transport phenomena in metal hydride hydrogen storage vessels. The metal hydride hydrogen desorption model, i.e. governed by the conservation of mass, momentum, and thermal energy is first experimentally validated against the temperature evolution data measured on a cylindrical $LaNi_5$ metal hydride vessel. The equilibrium pressure used for hydrogen desorption simulations is derived as a function of H/M atomic ratio and temperature based on the experimental data in the literature. The numerical simulation results agree well with experimental data and the 3D desorption model successfully captures key experimental trends during hydrogen desorption process. Both the simulation and experiment display an initial sharp decrease in the temperature mainly caused by relatively slow heat supply rate from the vessel external wall. On the other hand, the effect of heat supply becomes influential at the latter stages, leading to smooth increase in the vessel temperature in both simulation and experiment. This numerical study provides the fundamental understanding of detailed heat and mass transfer phenomena during hydrogen desorption process and further indicates that efficient design of storage vessel and heating system is critical to achieve fast hydrogen discharging performance.

Effects of Laser Source Geometry on Laser Shock Peening Residual Stress (레이저 광원 형상이 레이저 충격 피닝 잔류응력에 미치는 영향)

  • Kim, Ju-Hee;Kim, Yun-Jae;Kim, Joung-Soo
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.36 no.6
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    • pp.609-615
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    • 2012
  • In LSP (laser shock peening) treatment, the laser source geometries when the laser beam strikes the metal target area are diverse. The laser spot geometry affects the residual stress field beneath the treated surface of the metallic materials, which determines the characteristics of the pressure pulse. In this paper, detailed finite-element (FE) simulations on laser shock peening have been conducted in order to predict the magnitude and of the residual stresses and the depth affected in Inconel alloy 600 steel. The residual stress results are compared for circular, rectangular, and elliptical laser spot geometries. It is found that a circular spot can produce the maximum compressive residual stresses near the surface but generates tensile residual stresses at the center of the laser spot. In the depth direction, an elliptical laser spot produces the maximum compressive residual stresses. Circular and elliptical spots plastically affect the alloy to higher depths than a rectangular spot.

Surface Modification with Atmospheric Microwave Agron Plasma Jet Assisted with Admixture of H2O2 and Analysis of Plasma Characteristics

  • Won, I.H.;Shin, H.K.;Kwon, H.C.;Kim, H.Y.;Kang, S.K.;Lee, J.K.
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.02a
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    • pp.544-545
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    • 2013
  • Recently, low-temperature atmospheric-pressure plasmas have been investigated [1,2] for biomedical applications and surface treatments. Experiments for improving hydrophilicity of stainless steel (SUS 304) plate with atmospheric microwave argon and H2O2 mixture plasma jet [3] were carried out and experimental measurements and plasma simulations were conducted for investigating the characteristics of plasma for the process. After 30 s of low power (under 10 W) and low temperature (under $50^{\circ}C$) plasma treatment, the water contact angle decreased rapidly to around $10^{\circ}$ from $75^{\circ}$ and was maintained under $30^{\circ}$ for a day (24 hours). The surface free energy, calculated from the contact angles, increased. The chemical properties of the surface were examined by X-ray Photoelectron Spectroscopy (XPS) and the surface morphology and roughness were examined by Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM) respectively. The characteristics of plasma sources with several frequencies were investigated by Optical Emission Spectroscopy (OES) measurement and one-dimensional Particle-in-Cell (PIC) simulation and zero-dimensional global simulation [4]. The relation between plasma components and the efficacy of the surface modification were discussed.

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On-the-fly Estimation Strategy for Uncertainty Propagation in Two-Step Monte Carlo Calculation for Residual Radiation Analysis

  • Han, Gi Young;Kim, Do Hyun;Shin, Chang Ho;Kim, Song Hyun;Seo, Bo Kyun;Sun, Gwang Min
    • Nuclear Engineering and Technology
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    • v.48 no.3
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    • pp.765-772
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    • 2016
  • In analyzing residual radiation, researchers generally use a two-step Monte Carlo (MC) simulation. The first step (MC1) simulates neutron transport, and the second step (MC2) transports the decay photons emitted from the activated materials. In this process, the stochastic uncertainty estimated by the MC2 appears only as a final result, but it is underestimated because the stochastic error generated in MC1 cannot be directly included in MC2. Hence, estimating the true stochastic uncertainty requires quantifying the propagation degree of the stochastic error in MC1. The brute force technique is a straightforward method to estimate the true uncertainty. However, it is a costly method to obtain reliable results. Another method, called the adjoint-based method, can reduce the computational time needed to evaluate the true uncertainty; however, there are limitations. To address those limitations, we propose a new strategy to estimate uncertainty propagation without any additional calculations in two-step MC simulations. To verify the proposed method, we applied it to activation benchmark problems and compared the results with those of previous methods. The results show that the proposed method increases the applicability and user-friendliness preserving accuracy in quantifying uncertainty propagation. We expect that the proposed strategy will contribute to efficient and accurate two-step MC calculations.

Experimental Verification of Effectiveness of Stabilization Control System for Mobile Surveillance Robot (기동형 경계로봇 안정화 시스템의 실험적 검증)

  • Kim, Sung-Soo;Lee, Dong-Youm;Kwon, Jeong-Joo;Park, Sung-Ho
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.35 no.4
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    • pp.359-365
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    • 2011
  • A mobile surveillance robot is defined as a surveillance robot system that is mounted on a mobile platform and is used to protect public areas such as airports or harbors from invaders. The mobile surveillance robot that is mounted on a mobile platform consists of a gun module, a camera system module, an embedded control system, and AHRS (Attitude and Heading Reference System). It has two axis control systems for controlling its elevation and azimuth. In order to obtain stable images for targeting invaders, this system requires a stabilizer to compensate any disturbance due to vehicle motion. In this study, a virtual model of a mobile surveillance robot has been created and ADAMS/Matlab simulations have been performed to verify the suitability of the proposed stabilization algorithm. Further, the suitability of the stabilization algorithm has also been verified using a mock-up of the mobile surveillance robot and a 6-DOF (Degree Of Freedom) motion simulator.

Rock Mechanics Studies at the KAERI Underground Research Tunnel for High-Level Radioactive Waste Disposal (고준위폐기물 처분연구를 위한 지하처분연구시설에서의 암석역학 관련 연구)

  • Kwon, S.;Cho, W.J.
    • Tunnel and Underground Space
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    • v.17 no.1 s.66
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    • pp.43-55
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    • 2007
  • An underground research tunnel, KURT, was constructed at Korea Atomic Energy Research Institute, for various in situ validation experiments related to the development of a high-level radioactive waste disposal system. KURT, which has length of 255 m (access tunnel 180 m and research modules 75 m) and size of $6m{\times}6m$ was excavated in a cryatalline rock mass. In the KURT project, different rock mechanics studies had been carried out during the concept design, site characterization, detailed design, and construction stages. From the geophysical survey, borehole investigation, and rock property tests in laboratory and in situ, the rock and rock mass properties required for the mechanicsl stability analysis of KURT could be achieved and used for the input parameters of computer simulations. In this paper, important results from the rock mechanics studies at KURT and the three-dimensional mechanical stability analysis will be introduced.

Fault Reactivation Modeling Using Coupled TOUGH2 and FLAC3D Interface Model: DECOVALEX-2019 Task B (TOUGH2-FLAC3D Interface 모델을 통한 단층 재활성 모델링: DECOVALEX-2019 Task B)

  • Park, Jung-Wook;Park, Eui-Seob;Lee, Changsoo
    • Tunnel and Underground Space
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    • v.30 no.4
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    • pp.335-358
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    • 2020
  • We present a numerical model to simulate coupled hydro-mechanical behavior of fault using TOUGH-FLAC simulator. This study aims to develop a numerical method to estimate fluid injection-induced fault reactivation in low permeability rock and to access the relevant hydro-mechanical stability in rock as part of DECOVALEX-2019 Task B. A coupled fluid flow and mechanical interface model to explicitly represent a fault was suggested and validated from the applications to benchmark simulations and the field experiment at Mont Terri underground laboratory in Switzerland. The pressure build-up, hydraulic aperture evolution, displacement, and stress responses matched those obtained at the site, which indicates the capability of the model to appropriately capture the hydro-mechanical processes in rock fault.

DESIGN OF A LOAD FOLLOWING CONTROLLER FOR APR+ NUCLEAR PLANTS

  • Lee, Sim-Won;Kim, Jae-Hwan;Na, Man-Gyun;Kim, Dong-Su;Yu, Keuk-Jong;Kim, Han-Gon
    • Nuclear Engineering and Technology
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    • v.44 no.4
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    • pp.369-378
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    • 2012
  • A load-following operation in APR+ nuclear plants is necessary to reduce the need to adjust the boric acid concentration and to efficiently control the control rods for flexible operation. In particular, a disproportion in the axial flux distribution, which is normally caused by a load-following operation in a reactor core, causes xenon oscillation because the absorption cross-section of xenon is extremely large and its effects in a reactor are delayed by the iodine precursor. A model predictive control (MPC) method was used to design an automatic load-following controller for the integrated thermal power level and axial shape index (ASI) control for APR+ nuclear plants. Some tracking controllers employ the current tracking command only. On the other hand, the MPC can achieve better tracking performance because it considers future commands in addition to the current tracking command. The basic concept of the MPC is to solve an optimization problem for generating finite future control inputs at the current time and to implement as the current control input only the first control input among the solutions of the finite time steps. At the next time step, the procedure to solve the optimization problem is then repeated. The support vector regression (SVR) model that is used widely for function approximation problems is used to predict the future outputs based on previous inputs and outputs. In addition, a genetic algorithm is employed to minimize the objective function of a MPC control algorithm with multiple constraints. The power level and ASI are controlled by regulating the control banks and part-strength control banks together with an automatic adjustment of the boric acid concentration. The 3-dimensional MASTER code, which models APR+ nuclear plants, is interfaced to the proposed controller to confirm the performance of the controlling reactor power level and ASI. Numerical simulations showed that the proposed controller exhibits very fast tracking responses.

Method for Determination of Maximum Allowable Pressure of Pressure Vessel Considering Detonation (폭굉을 고려한 압력용기 최대허용압력 결정방법의 제안)

  • Choi, Jinbok
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.31 no.5
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    • pp.235-241
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    • 2018
  • The internal pressure is a critical parameter for designing a pressure vessel. The static pressure that a pressure vessel must withstand is usually determined according to the various codes and standards with simple formula or numerical simulations considering the geometric parameters such as diameter and thickness of a vessel. However, there is no specific codes or technical standards we can use practically for designing of pressure vessels which have to endure the detonation pressure. Detonation pressure is a kind of dynamic pressure which causes an impulsive pressure on the vessel wall in a extremely short time duration. In addition, it is known that the magnitude of reflected pressure at the vessel wall due to the explosion can be over twice the incident pressure. Therefore, if we only consider the reflected pressure, the design of the pressure vessel can be too conservative from the economical point of view. In this study, we suggest a practical method to evaluate the magnitude of maximum allowable pressure that the pressure vessel can withstand against the detonation inside a vessel. As an example to validate the proposed method, we consider the pressure vessel containing hydrogen gas.

A Molecular Dynamics Study on the Liquid-Glass-Crystalline Transition of Lennard-Jones System (한 Lennard-jones 시스템의 액체-유리-결정 전이에 관한 분자동역학 연구)

  • Chang, Hyeon-Gu;Lee, Jong-Gil;Kim, Sun-Gwang
    • Korean Journal of Materials Research
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    • v.8 no.8
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    • pp.678-684
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    • 1998
  • By means of constant- pressure molecular dynamics simulations, we studied the liquid- glass- crystalline transition of a system composed of Lennard- Jones particles with periodic boundary conditions. Atomic volume and enthalpy were calculated as functions of temperature during heating and cooling processes. The Wendt- Abraham ratio derived from radial distribution function and the angular distribution function characterizing short range order were analyzed to distinguish between liquid, glass and crystalline states. A liquid phase resulting from a slow heating of an initial fee crystal amorphized on fast quench, but it crystallized on slow quench. When slowly heated, the amorphous phase from fast quench crystallized into an fee structure. A system with free surface was shown to melt from the surface inward at a lower temperature than bulk system and to have a strong tendency for crystallization even during a fast quench from a liquid state.

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