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Equilibrium and Non-equilibrium Molecular Dynamics Simulations of Thermal Transport Coefficients of Liquid Argon

  • Chang Bae Moon;Gyeong Keun Moon;Song Hi Lee
    • 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.

Channel Electrode Voltammetric and In Situ Electrochemical ESR Studies of Comproportionation of Methyl Viologen in Acetonitrile

  • Lee, Ji U;John C. Eklund;Robert A. W. Dryfe;Richard G. Compton
    • Bulletin of the Korean Chemical Society
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    • v.17 no.2
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    • pp.162-167
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    • 1996
  • Two redox processes of methyl viologen (+2/+, +/0) in acetonitrile were investigated by using channel electrode voltammetric and in situ electrochemical ESR methods. Two separated unequal plateau currents of the first (+2/+) and second (+/0) redox processes of the viologen were observed in the channel electrode voltammograms and showed a cube-root depedndence on the electrolyte flow rate, respectively. The simple Levich analysis resulted in two different diffusion coefficients of $D_{+2}=2.2{\times}10^{-5}\;cm^2/s$ and $D_+=3.0{\times}10^{-5}cm^2/s$ from the limiting currents. In situ electrochemical ESR studies were performed for the monocation radicals generated at the potentials of the two plateau currents in the electrolyte flow range $1.3{\times}10^{-1}{\geq}v_f{\geq}2.7{\times}10^{-3}\;cm^3/s$. Backward implicitfinite difference method was employed to simulate the electrochemical kinetic problem of two sequential electron transfers ($MV^{+2}+e{\leftrightarrows}MV^+,\;MV^{+}+e{\leftrightarrows}MV^0$) coupled with reversible comproportionation ($MV^{2+}+MV^0{{\leftrightarrows}^{k_f}_{k_b}}2MV^+$). $k_f$ was found to be greater than ($10^6M^{-1}s^{-1}.

Development of Plantar Pressure Measurement System and Personal Classification Study based on Plantar Pressure Image

  • Ho, Jong Gab;Kim, Dae Gyeom;Kim, Young;Jang, Seung-wan;Min, Se Dong
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.15 no.11
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    • pp.3875-3891
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    • 2021
  • In this study, a Velostat pressure sensor was manufactured to develop a plantar pressure measurement system and a C#-based application was developed to monitor and collect plantar pressure data in real time. In order to evaluate the characteristics of the proposed plantar pressure measurement system, the accuracy of plantar pressure index and personal classification was verified by comparing with MatScan, a commercial plantar pressure measurement system. As a result, the output characteristics according to the weight of the Velostat pressure sensor were evaluated and a trend line with the reliability of r2 = 0.98 was detected. The Root Mean Square Error(RMSE) of the weighted area was 11.315 cm2, the RMSE of the x coordinate of Center of Pressure(CoPx) was 1.036 cm and the RMSE of the y coordinate of Center of Pressure(CoPy) was 0.936 cm. Finally, inaccuracy of personal classification, the proposed system was 99.47% and MatScan was 96.86%. Based on the advantage of being simple to implement and capable of manufacturing at low cost, it is considered that it can be applied to various fields of measuring vital signs such as sitting posture and breathing in addition to the plantar pressure measurement system.

Modeling and simulation of VERA core physics benchmark using OpenMC code

  • Abdullah O. Albugami;Abdullah S. Alomari;Abdullah I. Almarshad
    • Nuclear Engineering and Technology
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    • v.55 no.9
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    • pp.3388-3400
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    • 2023
  • Detailed analysis of the neutron pathway through matter inside the nuclear reactor core is exceedingly needed for safety and economic considerations. Due to the constant development of high-performance computing technologies, neutronics analysis using computer codes became more effective and efficient to perform sophisticated neutronics calculations. In this work, a commercial pressurized water reactor (PWR) presented by Virtual Environment for Reactor Applications (VERA) Core Physics Benchmark are modeled and simulated using a high-fidelity simulation of OpenMC code in terms of criticality and fuel pin power distribution. Various problems have been selected from VERA benchmark ranging from a simple two-dimension (2D) pin cell problem to a complex three dimension (3D) full core problem. The development of the code capabilities for reactor physics methods has been implemented to investigate the accuracy and performance of the OpenMC code against VERA SCALE codes. The results of OpenMC code exhibit excellent agreement with VERA results with maximum Root Mean Square Error (RMSE) values of less than 0.04% and 1.3% for the criticality eigenvalues and pin power distributions, respectively. This demonstrates the successful utilization of the OpenMC code as a simulation tool for a whole core analysis. Further works are undergoing on the accuracy of OpenMC simulations for the impact of different fuel types and burnup levels and the analysis of the transient behavior and coupled thermal hydraulic feedback.

Humidity Dependence Removal Technology in Oxide Semiconductor Gas Sensors (산화물 반도체 가스 센서의 습도 의존성 제거 기술)

  • Jiho Park;Ji-Wook Yoon
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.37 no.4
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    • pp.347-357
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    • 2024
  • Oxide semiconductor gas sensors are widely used for detecting toxic, explosive, and flammable gases due to their simple structure, cost-effectiveness, and potential integration into compact devices. However, their reliable gas detection is hindered by a longstanding issue known as humidity dependence, wherein the sensor resistance and gas response change significantly in the presence of moisture. This problem has persisted since the inception of oxide semiconductor gas sensors in the 1960s. This paper explores the root causes of humidity dependence in oxide semiconductor gas sensors and presents strategies to address this challenge. Mitigation strategies include functionalizing the gas-sensing material with noble metal/transition metal oxides and rare-earth/rare-earth oxides, as well as implementing a moisture barrier layer to prevent moisture diffusion into the gas-sensing film. Developing oxide semiconductor gas sensors immune to humidity dependence is expected to yield substantial socioeconomic benefits by enabling medical diagnosis, food quality assessment, environmental monitoring, and sensor network establishment.

Development of highly uniform variety for processing using SSR markers in radish (Raphanus sativus L) (분자표지를 활용한 고품질 가공용 고순도 무 품종 육성)

  • Jung, Un-Hwa;Oh, Jong-Hyuck;Kim, Young-Gyu;Ahn, Chun-Hee;Lee, Kwang-Sik;Choi, Su-Ryun;Lim, Yong-Pyo;Park, Su-Hyoung;Choi, Ki-Young;Lee, Yong-Beom
    • Journal of Plant Biotechnology
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    • v.41 no.1
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    • pp.56-63
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    • 2014
  • Using commercial radish varieties for processing, about 30% of radish was discarded due to the root shape and low purity. To raise the processing ability, we tried to develop a new variety producing H-shaped root. As another characteristic required in variety for processing is high purity, we tried to raise purity using simple sequence repeats (SSR) markers for testing seed purity in every segregating generation. To develop Male-sterile (MS) seeding parent, we crossed commercial variety of 'Gwan dong spring' and 'Gyeo ryong spring'. One elite inbred was selected as recurrent parent for the MS plant. The major horticultural traits of selected inbred line were disease resistance, late bolting, heat resistance and bright green root top color. To develop pollen parent, we crossed commercial variety of 'Tae sang king' and 'Seoul spring'. We used individual selection method to develop H-shaped hard root and disease resistant inbred. In each segregating generation, we selected one plant based on phenotype and the uniformity of selected plant was tested by SSR markers using self-pollinated seeds. In the first segregating generation, 64.6% of sib plants shared the same band in PCR amplification using ACMP-490 primer and 66.7% using cnu-316 primer. The uniformity of segregating generations using ACMP-490 and cnu-316 raised in second generation to 68.8%, 70.8%, respectively; in third generation to 93.8%, 100%; in fourth generation to 93.8%, 100%; in fifth generation to 95.8%, 100%; in sixth generation to 100%, 100%. A novel cross was made using selected MS parent and pollen parent. When we checker the horticultural traits using autumn cultivation, the novel cross variety produced H-shaped root comparing other commercial varieties and produced highly uniform radish. Thus we registered this novel cross variety as 'YR ORE' at 2013 (Registration No. 4550).

A Study on Mutual Aid and Mutual Contention of the Ten Celestial Stems and Twelve Earthly Branches (천간과 지지의 상조(相助)와 상극(相剋)에 관한 연구)

  • Woo Yeon-hwa;Kim Man-tae
    • Journal of the Daesoon Academy of Sciences
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    • v.42
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    • pp.109-141
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    • 2022
  • As many perhaps already know, in East Asian thought there are two aspects of all things such as light and darkness coexist and are called Yin-Yang (陰陽). The initial concept of Yin-Yang was just a simple expression meant to depict natural phenomena, but it gradually became the central concept in explanations of creation and the changes that undergo all things in the universe. The study of the ordering principle of nature that was known as Myeongli (命理) also examined the interrelation between the sky and the earth and divided the two into Ten Celestial Stems (天干 cheongan) and the Twelve Earth Branches (地支 jiji) based on Yin-Yang theory. This thesis analyzed contents of the relationship between Ten Celestial Stems and the Twelve Earth Branches in terms of the patterns of Mutual Aid (相助 sangjo) and Mutual Contention (相剋 sanggeuk) through a literature review and exploration of their common features and differences. Different categorized phenomena under the pattern of Mutual Aid include Tonggeun (通根 root downward) and Tugan (透干 appearance of the upward). Tonggeun means that signs in the Celestial Stems took root in their counterparts of the Earthly Branches. In the Celestial Stems, there is also Tonggeuncheo (通根處 a place to root downward) which in relation to the Earthly Branches show that the same five phases become Samhap (三合 combined three ways to gain power) and Banghap (方合 gathering in the same season). The methods of seeing Tonggeunryeok (通根力 power of a downward root) are as follows: First, it is seen by the places where Tonggeun takes hold. Ilgan (日干 the Celestial Stem of a birthday) is ordered as month (月 wol) > day (日 il) > hour (時 shi) > year (年 nyeon), and other Celestial Stems appear ordered as month > sitting > close place. Second, it can be seen by the characteristics of Earthly Branches that Tonggeun has taken hold. The Earthly Branches are ordered as Rokwangji (祿旺支 vigorous land) and Jangsaengji (長生支 newborn land) > Yeogi (餘氣 remaining energy) > Myogo (墓庫 storage and burial grounds). Tugan is the concept that the main agent was changed to Tonggeun, which means that the spirit of the Earthly Branches is manifested in the Celestial Stems. And the five phases hidden in the Earthly Branches will be able to play their roles as they are revealed. There are also the phenomena of Gaedu (蓋頭 the heavenly destroying the earthly) and Jeolgak (截脚 the earthly destroying the heavenly) which are concepts that convey that the Heavenly Stems and Earthly Branches can mutually destroy one another. There are different opinions on Gaedu because some adopt viewpoints of just focusing on the Celestial Stems and considering it only in terms the Celestial Stems destroying the Earthly Branches. But, the vast majority of scholars think that the Celestial Stems weakens the role of the roots by destroying the Earthly Branches. Jeolgak, the reverse concept of Gaedu, weakens the spirit of the Celestial Stems as the Earthly Branches destroy them, and this is associated with the strong possibility that one is fated to experience disharmony.

Optimization of Growth Environment in the Enclosed Plant Production System Using Photosynthesis Efficiency Model (광합성효율 모델을 이용한 밀폐형 식물 생산시스템의 재배환경 최적화)

  • Kim Keesung;Kim Moon Ki;Nam Sang Woon
    • Journal of Bio-Environment Control
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    • v.13 no.4
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    • pp.209-216
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    • 2004
  • This study was aimed to assess the effects of microclimate factors on lettuce chlorophyll fluorescent responses and to develop an environment control system for plant growth by adopting a simple genetic algorithm. The photosynthetic responses measurements were repeated by changing one factor among six climatic factors at a time. The maximum Fv'/Fm' resulted when the ambient temperature was $21^{\circ}C,\;CO_2$ concentration range of 1,200 to 1,400 ppm, relative humidity of $68\%$, air current speed of $1.4m{\cdot}s^{-1}$, and the temperature of nutrient solution of $20^{\circ}C$. In PPF greater than $140{\mu}mol{\cdot}m^{-2}{\cdot}s^{-1}$, Fv'/Fm' values were decreased. To estimate the effects of combined microclimate factors on plant growth, a photosynthesis efficiency model was developed using principle component analysis for six microclimate factors. Predicted Fv'/Fm' values showed a good agreement to measured ones with an average error of $2.5\%$. In this study, a simple genetic algorithm was applied to the photosynthesis efficiency model for optimal environmental condition for lettuce growth. Air emperature of $22^{\circ}C$, root zone temperature of $19^{\circ}C,\;CO_2$ concentration of 1,400 ppm, air current speed of $1.0m{\cdot}s^{-1}$, PPF of $430{\mu}mol{\cdot}m^{-2}{\cdot}s^{-1}$, and relative humidity of $65\%$ were obtained. It is feasible to control plant environment optimally in response to microclimate changes by using photosynthesis efficiency model combined with genetic algorithm.

A Multipath Delay Time Detection Method For $\frac{\pi}{4}$ Shift QPSK Modulation Under The Frequency Selective Fading Environment (주파수 선택성 페이딩 환경하에서 $\frac{\pi}{4}$ shift QPSK 변조방식에 대한 다중파의 시간지역 검출법 제안)

  • 조병진;김대영
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.16 no.10
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    • pp.941-950
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    • 1991
  • channel is severely degraded by multipath delay time spread. In this paper. We propose a simple multipath delay time detection method, which has a merit of in serviceable, yet simple H/W realizability for $\pi/4$ shift QPSK by detecting cross channel interference. A $\pi/4$ shift QPSK signal originally has quadrature channel(Q-ch) component. Thus in order to measure CCI between in-phase channel(I-ch) and quadrature channel(Q-ch), which closely related to multipath delay time, Frequency doubling scheme(frequency doubler) and differential detector is proposed, which makes $\pi/4$ shift QPSK signal look like BPSK and also makes it possible for CCI to be detected at I-ch detector output. To get an information from time varying I-ch output signal under the multipath lading environment, a method for obtaining the mean of the absolute value$(V_{MABS}(t))$ and another one for obtaining the root mean square value$(V_{RMS}(t))$ of CCI are proposed. Furthermore, a relationship between delay spread and CCI is also analyzed. In order to confirm theoretical results, computer simulation has been carried out under the quasi-static and Reyleigh distributed two ray multipath fading environments. A fairly good result was obtained. However it was also shown that this method is sensitive to bandwidth restriction to some extent. In addition, some idea for a simple hardware realization for the frequency doubler are given.

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A Comparison of Analysis Methods for Work Environment Measurement Databases Including Left-censored Data (불검출 자료를 포함한 작업환경측정 자료의 분석 방법 비교)

  • Park, Ju-Hyun;Choi, Sangjun;Koh, Dong-Hee;Park, Donguk;Sung, Yeji
    • Journal of Korean Society of Occupational and Environmental Hygiene
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    • v.32 no.1
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    • pp.21-30
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    • 2022
  • Objectives: The purpose of this study is to suggest an optimal method by comparing the analysis methods of work environment measurement datasets including left-censored data where one or more measurements are below the limit of detection (LOD). Methods: A computer program was used to generate left-censored datasets for various combinations of censoring rate (1% to 90%) and sample size (30 to 300). For the analysis of the censored data, the simple substitution method (LOD/2), β-substitution method, maximum likelihood estimation (MLE) method, Bayesian method, and regression on order statistics (ROS)were all compared. Each method was used to estimate four parameters of the log-normal distribution: (1) geometric mean (GM), (2) geometric standard deviation (GSD), (3) 95th percentile (X95), and (4) arithmetic mean (AM) for the censored dataset. The performance of each method was evaluated using relative bias and relative root mean squared error (rMSE). Results: In the case of the largest sample size (n=300), when the censoring rate was less than 40%, the relative bias and rMSE were small for all five methods. When the censoring rate was large (70%, 90%), the simple substitution method was inappropriate because the relative bias was the largest, regardless of the sample size. When the sample size was small and the censoring rate was large, the Bayesian method, the β-substitution method, and the MLE method showed the smallest relative bias. Conclusions: The accuracy and precision of all methods tended to increase as the sample size was larger and the censoring rate was smaller. The simple substitution method was inappropriate when the censoring rate was high, and the β-substitution method, MLE method, and Bayesian method can be widely applied.