• Title/Summary/Keyword: Single Particle Model

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Molecular Dynamics Simulation Studies of a Model System for Liquid Crystals Consisting of Rodlike Molecules in NPT Ensemble

  • Lee, Chang Jun;Sim, Hun Gu;Kim, Un Chun;Lee, Song Hui;Park, Hyeong Suk
    • Bulletin of the Korean Chemical Society
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    • v.21 no.3
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    • pp.310-316
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    • 2000
  • Molecular dynamics simulation studies for thermotropic liquid crystalline systems conposed of rodlike molecules with 6 Lennard-Jones interaction sites wre performed in NPT ensemble. Within the range of temperature studied, the system exhibited isotropic and smectic phase. For the characterization of the smectic phase, we examined the structure of the liquid crystalline phase via the radial distribution function, its longitudinal and transverse components to the director, and other orientational correlation function, its longitudinal and transverse components to the director, and other orientational correlation functions. In the smectic A phase, our results showed a large anisotropy in translational motion (i.e.,$D_⊥ >> D_∥$), and the decay of the collective orientational correlation function of rank two became slower than that of the single particle orientational correlation function of rank one. Comments on the spontaneous growth of orientational order directly from the isotropic phase are given.

Classical Relativistic Extension of Kanai's Frictional Lagrangian

  • Dubey, Ritesh Kumar;Singh, B.K.
    • Journal of the Korean Physical Society
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    • v.73 no.12
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    • pp.1840-1844
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    • 2018
  • Working in an arbitrary Lorentz frame, we address the question of formulating the covariant variational principle for classical, single-particle, dissipative, relativistic mechanics. First, within a Minkowskian geometry, the basic properties of the proper time ${\tau}$ and the covariant velocity $u_{\mu}$ are recapitulated. Next, using a scalar function ${\psi}(x)$ and its negative derivatives ${\varphi}_{\mu}{^{\prime}}s$, we construct a covariant Lagrangian ${\Lambda}$ that generalizes the famous Bateman-Caldirola-Kanai Lagrangian of nonrelativistic frictional mechanics. Finally, we propose a deterministic model for ${\psi}$ (involving the drag coefficient A) whose explicit solution leads to relativistic damped Rayleigh motion in the rest frame of the medium.

Interpretation of Migration of Radionuclides in a Rock Fracture Using a Particle Tracking Method (입자추적법을 사용한 암반균열에서 핵종이동 해석)

  • Chung Kyun Park;Pil Soo Hahn;Douglas J. Drew
    • Nuclear Engineering and Technology
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    • v.27 no.2
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    • pp.176-188
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    • 1995
  • A particle tracking scheme was developed in order to model radionuclide transport through a tortuous flow Held in a rock fracture. The particle tacking method may be used effectively in a heterogeneous flow field such as rock fracture. The parallel plate representation of the single fracture fails to recognize the spatial heterogeneity in the fracture aperture and thus seems inadequate in describing fluid movement through a real fracture. The heterogeneous flow field une modeled by a variable aperture channel model after characterizing aperture distribution by a hydraulic test. To support the validation of radionuclide transport models, a radionuclide migration experiment was performed in a natural fracture of granite. $^3$$H_2O$ and $^{131}$ I are used as tracers. Simulated results were in agreement with experimental result and therefore support the validity of the transport model. Residence time distributions display multipeak curves caused by the fast arrival of solutes traveling along preferential fracture channels and by the much slower arrival of solutes following tortous routes through the fracture. Results from the modelling of the transport of nonsorbing tracer through the fracture show that diffusion into the interconnected pore space in the rock mass has a significant effect on retardation.

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Inconsistency in the Average Hydraulic Models Used in Nuclear Reactor Design and Safety Analysis

  • Park, Jee-Won;Roh, Gyu-Hong;Park, Hangbok
    • Proceedings of the Korean Nuclear Society Conference
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    • 1997.10a
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    • pp.599-604
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    • 1997
  • One of important inconsistencies in the six-equation model predictions has been found to be the force experienced by a single bubble placed in a convergent stream of liquid. Various sets of governing equations yield different amount of forces to hold the bubble stationary in a convergent nozzle. By using the first order potential flow theory, it is found that the six-equation model can not be used to estimate the force experienced by a deformed bubble. The theoretical value of the particle stress of a bubble in a convergent nozzle flow has been found to be a function of the Weber number when bubble distortion is allowed. This force has been calculated by using different sets of governing equations and compared with the theoretical value. It is suggested in this study that the bubble size distribution function can be used to remove the presented inconsistency by relating the interfacial variables with different moments of the bubble size distribution function. This study also shows that the inconsistencies in the thermal-hydraulic governing equation can be removed by mechanistic modeling of the phasic interface.

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Improving the Performances of Dye-Sensitized Solar Cell by the Optimal $TiO_2$ Photoelectrode Thickness and Light-Scattering Enhancement (최적 $TiO_2$ 전극 두께 및 광산란 증가에 의한 염료감응형 태양광전지의 효율 개선)

  • Niu, Zeng Yuan;Kweon, Hyun Kyu;Park, Chang Yong
    • Journal of the Semiconductor & Display Technology
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    • v.13 no.2
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    • pp.37-44
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    • 2014
  • In this study, the performance of dye-sensitized solar cells with different thickness of the photelectrode film was simulated by using the electron-diffusion differential model. Through this simulation, the relationships between the thickness of the photoelectrode film and the performances (open-circuit voltage, short-circuit current density, and overall photoelectric-conversion efficiency) of cells were understood and the performances with different thickness of the photoelectrede film were also examined. For considering the refractive index in the liquid electrolyte and exploring the scattering effect of titanium dioxide particles with different sizes using the Mie light-scattering theory, the highest scattering effect of each particles was found out and the optimal size of the titanium dioxide particle was determined for light scattering in the photoelectrode film of dye-sensitized solar cell. Through experiment, the mixed titanium dioxide cell was better than the single titanium dioxide cell and generated a higher overall conversion efficiency because the optimal titanium dioxide particles in the phoelectrode film as light scattering.

A Case Study of the Forecasting Volcanic Ash Dispersion Using Korea Integrated Model-based HYSPLIT (한국형 수치예보모델 기반의 화산재 확산 예측시스템 구축 및 사례검증)

  • Woojeong Lee;Misun Kang;Seungsook Shin;Hyun-Suk Kang
    • Atmosphere
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    • v.34 no.2
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    • pp.217-231
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    • 2024
  • The Korea Integrated Model (KIM)-based real-time volcanic ash dispersion prediction system, which employs the Hybrid Single Particle Lagrangian Integrated Trajectory (HYSPLIT) model, has been developed to quantitatively predict volcanic ash dispersion in East Asia and the Northwest Pacific airspace. This system, known as KIM-HYSPLIT, automatically generates forecasts for the vertical and horizontal spread of volcanic ash up to 72 hours. These forecasts are initiated upon the receipt of a Volcanic Ash Advisory (VAA) from the Tokyo Volcanic Ash Advisory Center by the server at the Korea Meteorological Administration (KMA). This system equips KMA forecasters with diverse volcanic ash prediction information, complemented by the Unified Model (UM)-based HYSPLIT (UM-HYSPLIT) system. Extensive experiments have been conducted using KIM-HYSPLIT across 128 different volcanic scenarios, along with qualitative comparisons with UM-HYSPLIT. The results indicate that the ash direction predictions from KIM-HYSPLIT are consistent with those from UM-HYSPLIT. However, there are slight differences in the horizontal extent and movement speed of the volcanic ash. Additionally, quantitative verifications of the KIM-HYSPLIT forecasts have been performed, including threat score evaluations, based on recent eruption cases. On average, the KIMHYSPLIT forecasts for 6 and 12 hours show better quantitative alignment with the VAA forecasts compared to UM-HYSPLIT. Nevertheless, both models tend to predict a broader horizontal spread of the ash cloud than indicated in the VAA forecasts, particularly noticeable in the 6-hour forecast period.

A study on the soil conditioning behaviour according to mixing method in EPB shield TBM chamber (EPB 쉴드 TBM 챔버 내 혼합방법에 따른 배토상태거동에 대한 연구)

  • Kim, Yeon-Deok;Hwang, Beoung-Hyeon;Cho, Sung-Woo;Kim, Sang-Hwan
    • Journal of Korean Tunnelling and Underground Space Association
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    • v.23 no.4
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    • pp.233-252
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    • 2021
  • This paper is a study to improve the efficiency of mixing technology in the shield TBM chamber. Currently, the number of construction cases using the TBM method is increasing in Korea. According to the increasing use of TBM method, research on TBM method such as Disc Cutter, Cutter bit, and Segment also shows an increasing trend. However, there is little research on the mixing efficiency in chamber and chamber. In order to improve the smooth soil treatment and the behavior of the excavated soil, a study was conducted on the change of the mixing efficiency according to the effective mixing bar arrangement in the chamber. In the scale model experiment, the ground was composed using plastic materials of different colors for ease of identification. In addition, the mixing bar arrangement was different and classified into 4 cases, and the particle size distribution was classified into single particle size and multiple particle size, and the experiment was conducted with a total of 8 cases. The rotation speed of the cutter head of all cases was the same as 5 RPM, and the experiment time was also carried out in the same condition, 1 minute and 30 seconds. In order to check the mixing efficiency, samples at the upper, middle (left or right), and lower positions of each case were collected and analyzed. As a result of the scaled-down model experiment, the mixing efficiency of Case 4 and Case 4-1 increased compared to Case 1 and Case 1-1, which are actually used. Accordingly, it is expected that the mixing efficiency can be increased by changing the arrangement of the mixing bar in the chamber, and it is considered to be effective in saving air as the mixing efficiency increases. Therefore, this study is considered to be an important indicator for the use of shield TBM in Korea.

Finite element model updating of a cable-stayed bridge using metaheuristic algorithms combined with Morris method for sensitivity analysis

  • Ho, Long V.;Khatir, Samir;Roeck, Guido D.;Bui-Tien, Thanh;Wahab, Magd Abdel
    • Smart Structures and Systems
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    • v.26 no.4
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    • pp.451-468
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    • 2020
  • Although model updating has been widely applied using a specific optimization algorithm with a single objective function using frequencies, mode shapes or frequency response functions, there are few studies that investigate hybrid optimization algorithms for real structures. Many of them did not take into account the sensitivity of the updating parameters to the model outputs. Therefore, in this paper, optimization algorithms and sensitivity analysis are applied for model updating of a real cable-stayed bridge, i.e., the Kien bridge in Vietnam, based on experimental data. First, a global sensitivity analysis using Morris method is employed to find out the most sensitive parameters among twenty surveyed parameters based on the outputs of a Finite Element (FE) model. Then, an objective function related to the differences between frequencies, and mode shapes by means of MAC, COMAC and eCOMAC indices, is introduced. Three metaheuristic algorithms, namely Gravitational Search Algorithm (GSA), Particle Swarm Optimization algorithm (PSO) and hybrid PSOGSA algorithm, are applied to minimize the difference between simulation and experimental results. A laboratory pipe and Kien bridge are used to validate the proposed approach. Efficiency and reliability of the proposed algorithms are investigated by comparing their convergence rate, computational time, errors in frequencies and mode shapes with experimental data. From the results, PSO and PSOGSA show good performance and are suitable for complex and time-consuming analysis such as model updating of a real cable-stayed bridge. Meanwhile, GSA shows a slow convergence for the same number of population and iterations as PSO and PSOGSA.

Model Predictive Control for Distributed Storage Facilities and Sewer Network Systems via PSO (분산형 저류시설-하수관망 네트워크 시스템의 입자군집최적화 기반 모델 예측 제어)

  • Baek, Hyunwook;Ryu, Jaena;Kim, Tea-Hyoung;Oh, Jeill
    • Journal of the Korean Institute of Intelligent Systems
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    • v.22 no.6
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    • pp.722-728
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    • 2012
  • Urban sewer systems has a limitation of capacity of rainwater storage and problem of occurrence of untreated sewage, so adopting a storage facility for sewer flooding prevention and urban non-point pollution reduction has a big attention. The Korea Ministry of Environment has recently introduced a new concept of "multi-functional storage facility", which is crucial not only in preventive stormwater management but also in dealing with combined sewer overflow and sanitary sewer discharge, and also has been promoting its adoption. However, reserving a space for a single large-scale storage facility might be difficult especially in urban areas. Thus, decentralized construction of small- and midium-sized storage facilities and its operation have been introduced as an alternative way. In this paper, we propose a model predictive control scheme for an optimized operation of distributed storage facilities and sewer networks. To this aim, we first describe the mathematical model of each component of networks system which enables us to analyze its detailed dynamic behavior. Second, overflow locations and volumes will be predicted based on the developed network model with data on the external inflow occurred at specific locations of the network. MPC scheme based on the introduced particle swarm optimization technique then produces the optimized the gate setting for sewer network flow control, which minimizes sewer flooding and maximizes the potential storage capacity. Finally, the operational efficacy of the proposed control scheme is demonstrated by simulation study with virtual rainstorm event.

Electrochemical Hydrogenation Behavior of Surface-Treated Mg-based Alloys for Hydrogen Storage of Fuel Cell (연료전지의 수소저장용 마그네슘계 합금의 표면제어에 의한 전기화학적 수소화 거동 연구)

  • Kim, Ho-Sung;Lee, Jong-Ho;Boo, Seong-Jae
    • Journal of the Korean Institute of Illuminating and Electrical Installation Engineers
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    • v.20 no.7
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    • pp.46-52
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    • 2006
  • The effects of surface treatment on the hydrogen storage properties of a $Mg_2Ni$ alloy particle were investigated by the microvoltammetric technique, in which a carbon-filament microelectrode was manipulated to make electrical contact with the particle in a KOH aqueous solution. It was found that the hydrogen storage properties of $Mg_2Ni$ at room temperature were improved by the surface treatment with a nickel plating solution. The sodium salts(sodium phosphate and sodium dihydrogen citrate) contained in the nickel plating solution made the alloy form an amorphous-like state, resulting in an improved hydrogen charge/discharge capacity at room temperature as high as about 150[mAh/g] from the original value of 17[mAh/g]. Potential-step experiment was carried out to determine the apparent chemical diffusion coefficient of hydrogen atom($D_{app}$) in the alloy. Since the alloy particle we used here was a dense, conductive sphere, the spherical diffusion model was employed for data analysis. $D_{app}$ was found to vary the order between $10^{-8}{\sim}10^{-9}[cm^2/s]$ over the course of hydrogenation and dehydrogenation process.