• Title/Summary/Keyword: Element Method

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Chain Length Effect on the Configurational Properties of an n-Alkane Chain in Solution

  • Jeon, Seung-Ho;Ree, Tai-Kyue;Oh, In-Joon
    • Bulletin of the Korean Chemical Society
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    • v.7 no.5
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    • pp.367-371
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    • 1986
  • Dynamic and equilibrium properties of n-alkane chains immersed in solvent molecules have been investigated by a molecular dynamics method. The n-alkane chain is assumed to be a chain of elements (CH$_2$) interconnected by bonds having a fixed bond length and bond angle, but each bond of the chain is allowed to execute hindered internal rotation. We studied the effect of the number of the chain elements (N$_c$ = 10, 15 and 20) on the equilibrium properties of the system, e.g., the pair correlation functions between a chain element and solvent molecules, g$_{cs}$(r), and between the chain elements, g$_{cc}$(r), and the configurational properties such as the mean-square end-to-end distance < R$^2$ >, the mean-square radius of gyration < S$^2$ >, and the eigenvalues of the moment-of-inertia tensor < S$_i^2$ > / < S$^2$ > (i = 1, 2 and 3). We also studied the dynamic properties of the system, e.g., the autocorrelation function C(A;t) where A = R$^2$(t), = S$^2$(t), or = ${\vec{V}}(t)({\vec{V}}$ = velocity of the center of mass), and the diffusion coefficient D. The g$_{cs}$(r)'s are almost equal irrespective of the change of Nc while g$_{cc}$(r) becomes larger as N$_c$ increases; The MD computed configurational properties < R$^2$2 > and < S$^2$ > were found to be a little different from the values calculated from the statistical equations of < R$^2$ > and < S$^2$ >, it may be due to the fact that our model for the MD simulations includes a long-range volume effect. From the < S$_i^2$ > / < S$^2$ >, it is found that the chain molecule has a nearly spherical shape irrespective of the variation of N$_c$. For the dynamic properties we found that the C(R$^2$;t) and C(S$^2$;t) of lower N$_c$ decay faster than those of higher N$_c$, while the C($\vec V$;t) of the center of mass in the chain is weakly dependent on the N$_c$. The center of mass diffusion coefficient D$_c$ decreases as N$_c$ increases while the end point diffusion coefficient D$_e$ is nearly equal irrespective of the change of N$_c$.

Evaluation of Decomposition Characteristics of Organochlorine Pesticides Using Thermal Method (열적방법을 활용한 유기염소계 폐농약의 분해 특성 평가)

  • Kwon, Eun-Hye;Yoon, Young-Sam;Bea, Ji-Su;Jeon, Tae-Wan;Lee, Young-Ki
    • Journal of Korea Society of Waste Management
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    • v.35 no.8
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    • pp.744-753
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    • 2018
  • The Stockholm Convention, which was adopted in Sweden in 2001 to protect human health and the environment, includes regulations for Persistent Organic Pollutant Rotors such as toxic and bioaccumulatives. Currently, there are 28 types of materials. This prohibits and limits the production, use, and manufacture of products. Korea is a member of the Convention, and it is necessary to prepare management and treatment plans to address the POP trends. Thus, we experimentally investigate whether the environmentally stable incineration is achieved when the sample is thermally treated using the Lab-scale (1 kg/hr). The target samples is pesticides in liquid phase and solid phase. In this study, organic chlorinated pesticides and their thermal characteristics were analyzed. We calculated the theoretical air volume based on the element analysis results. Because the interior of the reactor is small, more than 10 times of the air ratio was injected. The retention time was set to at least 4 seconds using a margin. The incineration temperature was $850^{\circ}C$ and $1100^{\circ}C$. Thus, we experimentally investigated whether the environmentally stable incineration was achieved when the sample was thermally treated using the Lab-scale (1 kg/hr). We analyzed five types of exhaust gas; the 02 concentration was high, but the CO amount decreased. Complete combustion is difficult because of the small size of the furnace due to the nature of Lab-scale. The organic chlorine-containing pesticide had an average decomposition rate of 99.9935%. Considering the decomposition rates of organic chlorine-containing pesticide in this study, the incineration treatment at over 2 ton/hour, which is typical for a conventional incinerator, is possible. Considering the occurrence of dioxins and unintentional persistent organic pollutants, it can operate at more than $1,100^{\circ}C$.

Study on Improvement of Signal to Background Ratio of Laser-based Fluorescence Imaging System (레이저 기반 형광 영상 시스템의 Signal to Background Ratio 향상 연구)

  • Kim, J.H.;Jeong, M.Y.
    • Journal of the Microelectronics and Packaging Society
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    • v.27 no.4
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    • pp.107-111
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    • 2020
  • Recently, as an aging society progresses, a lot of interest in health and diagnosis is increasing, As the field of various bio-imaging systems for guided surgery capable of accurate diagnosis has emerged as important, a Fluorescence imaging system capable of accurate measurement and real-time confirmation has emerged as an important field. Fluorescence images currently being used are mainly in the NIR-I band, but many studies are in progress in the NIR-II band in order to improve resolution and confirm fluorescence deeply and accurately. In this paper, the difference between NIR-I and NIR-II, optical characteristics, and SBR (signal to background ration) of a fluorescent imaging system, was investigated using the finite element (FEM) method. After confirming, it was confirmed that the SBR was 16.2 times higher in the NIR-II area than in the NIR-I by making the skin phantom and measuring the fluorescence. It is confirmed that the enhancement in SBR of the Fluorescence imaging system is more effective in the NIR-II region than in the NIR-I region and expected to be used in application fields such as guided surgery, bio-sensor and also device which can detect the defect of optical devices.

Nonlinear Analysis of Shear Behavior on Pile-Sand Interface Using Ring Shear Tests (링전단시험을 이용한 말뚝 기초-사질지반 간 인터페이스 거동 분석)

  • Jeong, Sang-Seom;Jung, Hyung-Suh;Whittle, Andrew;Kim, Do-Hyun
    • Journal of the Korean Geotechnical Society
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    • v.37 no.5
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    • pp.5-17
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    • 2021
  • In this study, the shear behavior between pile-sandy soil interface was quantified based on series of rigorous ring shear test results. Ring shearing test was carried out to observe the shear behavior prior to failure and behavior at residual state between most commonly used pile materials - steel and concrete - and Jumunjin sand. The test was set to clarify the shear behavior under various confinement conditions and soil densities. The test results were converted in to representative friction angles for various test materials. Additional numerical analysis was executed to validate the accuracy of the test results. Based on the test results and the numerical validation, it was found that due to the dilative and contractive nature of sand, its interface behavior can be categorized in to two different types : soils with higher densities tend to show peak shear stress and moves on to residual state, while on the other hand, soils with lower densities tend to show bilinear load-transfer curves along the interface. However, the relative density and the confining stress was found to affect the friction angle only in the small train range, and converges as it progresses to large deformation. This study established a large deformation analysis method which can successfully simulate and predict the large deformation behavior such as ring shear tests. Moreover, the friction angle derived from the ring shear test result and verified by numerical analysis can be applied to numerical analysis and actual design of various pile foundations.

Numerical analysis on the estimation of optimal disc cutter angle in transition cutter zone (전이 구간(트렌지션 커터존)의 최적 디스크커터 각도 산정에 관한 수치해석 연구)

  • Lee, Sang Yun;Song, Ki-il
    • Journal of Korean Tunnelling and Underground Space Association
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    • v.23 no.1
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    • pp.1-12
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    • 2021
  • In the design of a tunnel boring machine (TBM), the excavation efficiency of the equipment depends on the design of the cutter head, which is directly in contact with the ground. Especially, the allocation of disc cutter is crucial issue. Disc cutters can be divided into center cutter zone, inner cutter zone and transition cutter zone depending on where they are placed. Many studies have been conducted to identify optimal cutting conditions for face cutters. However, research to determine the optimal cutting conditions for the transition cutter has been relatively incomplete. In this study, to identify the optimal cutting conditions for the transition cutter, numerical analysis using discrete element method was performed, and the specific energy curve according to the angle between the transition cutters was drawn to find out the optimum cutting conditions. The results show that the angle between the transition cutters showing minimum specific energy in the transition cutter zone is 9°. Transition cutter zone was divided into three sections according to the slope angle of the transition cutter. It is also found that, the greater the slope angle of the transition cutter. This finding shows good agreement with the present design of transition cutter zone.

A Study on the Evaluation Indicators of Web Accessibility using Social Network Analysis (사회연결망분석을 활용한 웹 접근성 평가 지표 개발 방향 제안에 대한 연구)

  • Lee, Eun Suk;Cha, Kyung Jin
    • Smart Media Journal
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    • v.10 no.1
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    • pp.47-54
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    • 2021
  • Web accessibility is presented as a legal obligation to ensure users can access and use information and functions equally in the domestic public website sector. This study introduces the researcher network based on social network analysis (SNA) in order to show the citation relationship by identifying the network among researches in the field of web accessibility. Based on the analysis of the relationship and citation of academic researchers in the domestic web accessibility field, confirm the process of creating a research network. It is a visualization element that shows the citation relationship as well as the relationship and citation form between the studies as a network. Through the process of creating the network, and it can be confirmed and can be usefully used for future academic research network analysis. It is meaningful in terms of analysis for about 17 years from January 2000 to March 2017, a total of 50 papers published in journals registered by the National Research Foundation of Korea and candidate journals. By combining the evaluation metrics for each researcher, evaluation target, evaluation method, and evaluation result for web accessibility, and applying weights, identify the research direction and evaluation research trends in Korea's web accessibility field related to the relevant field and web accessibility evaluation research trends, and related to the researcher trend network.

A Study on Simplifying Flow Analysis of VaRI Process (VaRI 공정 유동해석 간소화 방법에 대한 연구)

  • Kim, Yeongmin;Lee, Jungwan;Kim, Jungsoo;Ahn, Sehoon;Oh, Youngseok;Yi, Jin Woo;Kim, Wiedae;Um, Moon-kwang
    • Composites Research
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    • v.34 no.4
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    • pp.233-240
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    • 2021
  • VaRI(Vacuum assisted Resin Infusion) process, which is cost effective and suitable for manufacturing large-sized composites, is an OoA(Out-of Autoclave) process. For rapid resin infusion in the VaRI process, a DM(distribution media) is placed on top of the fabric. The resin is rapidly supplied in plane direction of the fiber along the DM, and then the supplied resin is impregnated in the out-of-plane direction of fiber. It is difficult to predict the flow of resin because the flow of in-plane direction and the out-of-plane direction occur together, and a 3D numerical analysis program is used to simulate the resin infusion process. However, in order to analyze in 3D, many elements are required in the out-of-plane direction of fabric. And the product size is larger, the longer the analysis time needs. Therefore, in this study, a method was suggested to reduce the time required for flow analysis by simplifying the 3D flow analysis to 2D flow analysis. The usefulness was verified by comparing the 3D flow analysis with the simplified 2D flow analysis at the same conditions. The filling time error was about 7% and the reduction of flow analysis time was about 95%. In addition, by utilizing the constant difference in the flow front between the top, middle, and bottom of the fabric of the 3D analysis, the flow front of the top, middle, and bottom of the fabric can be also predicted in the 2D flow analysis.

Numerical Simulation of 72m-Long Ultra High Performance Concrete Pre-Stressed Box Girder (72m 초고강도 콘크리트 프리스트레스트 박스 거더의 수치 해석)

  • Mai, Viet-Chinh;Han, Sang Mook
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.35 no.2
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    • pp.73-82
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    • 2022
  • The study presents a three-dimensional approach to simulate the nonlinear behavior of a 72 m long Ultra High Performance Fiber Reinforced Concrete (UHPFRC) pre-stressed box girder for a pedestrian bridge in Busan, South Korea. The concrete damage plasticity (CDP) model is adopted to model the non-linear behavior of the UHPFRC material, in which the material properties are obtained from uniaxial compressive and tensile tests. The simulation model based on the proposed stress-strain curve is validated by the results of four-point bending model tests of a 50 m UHPFRC pre-stressed box girder. The results from the simulation models agree with the experimental observations and predict the flexural behavior of the 50 m UHPFRC pre-stressed box girder accurately. Afterward, the validated model is utilized to investigate the flexural behavior of the 72 m UHPFRC pre-stressed box girder. Here, the load-deflection curve, stress status of the girder at various load levels, and connection details is analyzed. The load-deflection curve is also compared with design load to demonstrate the great benefit of the slender UHPFRC box girder. The obtained results demonstrate the applicability of the nonlinear finite element method as an appropriate option to analyze the flexural behavior of pre-stressed long-span girders.

Numerical Analysis on the Influence Factors of Cavity Occurrence in the Stability of the Underground with Cavity (도로 하부지반에서 발생된 공동이 지반 안정성에 미치는 영향에 관한 수치해석)

  • Nam, Jun-Hee;Kim, Jong-Chul;Lee, Kang-Il
    • Journal of the Korean Geosynthetics Society
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    • v.21 no.1
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    • pp.49-56
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    • 2022
  • In this study, finite element numerical analysis was performed considering various influence factors(cavity shape and size, pavement thickness and size of traffic load) in order to analyze the impact factors in the underground of the road where the cavity occurred and to evaluate the stability of the ground. In order to verify the reliability of the numerical analysis method applied in this study and the results it was compared and analyzed with the results of previous studies and field measurements. The correlation between the influence factors was analyzed through the distribution of vertical displacement obtained from the numerical analysis results, the distribution of surface settlement and surface settlement, the distribution of the stress ratio, and the distribution of the safety factor. As a result, it was confirmed that as the size of the cavity and traffic load increased and the thickness of the pavement decreased, the vertical displacement and surface settlement at the top of the cavity increased. Also, the shape of the cavity was square, the stability of the ground was significantly reduced compared to the case of a circular cavity. Through these results, it was possible to confirm the overall stability of the lower ground of the road where the cavity was generated.

The Anti-adipogenic and Lipolytic Effect of Jinkyool (Citrus sunki Hort. ex Tanaka) Leaf Extract in 3T3-L1 Cells (3T3-L1 지방세포에서 진귤 잎 유래 polymethoxyflavones 다량 함유 분획물(PRF)의 항지방생성 및 지방분해 효과)

  • Jin, Yeong Jun;Jang, Mi Gyeong;Kim, Jae-Won;Kang, Minyeong;Ko, Hee Chul;Kim, Se Jae
    • Journal of Life Science
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    • v.32 no.7
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    • pp.542-549
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    • 2022
  • Polymethoxyflavones (PMFs) are flavonoids mainly found in citrus fruits and have been reported to exhibit a wide range of bioactivities, including anti-obesity, anti-cancer, and anti-inflammatory actions. To utilize PMFs as functional materials, it is necessary to develop a simple method of obtaining PMFs from citrus tissues containing a large amount of PMFs. It has been reported that Jinkyool (C. sunki Hort ex. Tanaka) peel contained a large amount of PMFs, but there are no studies on PMFs isolated from its leaves. In this study, we established a simple procedure for obtaining the PMF-rich fraction (PRF) from the leaves of Jinkyool and investigated the effects of PRF on lipid metabolism in 3T3-L1 cells. PRF inhibited lipogenesis during the differentiation of 3T3-L1 preadipocytes. It decreased the expression of peroxisome proliferator-activated receptor gamma (PPAR𝛾) and CCAAT/enhancer binding protein alpha (CEBP𝛼), FAS, and adipocyte fatty-acid-binding protein 2 (aP2). In mature 3T3-L1 adipocytes, PRF increases the phosphorylation of protein kinase A (PKA)/hormone-sensitive lipase (HSL), which are key factors involved in lipolysis. Moreover, it increases the phosphorylation of the AMP-activated protein kinase (AMPK)/acetyl-CoA carboxylase (ACC) involved in fatty acid oxidation. These results suggest that PRF from Jinkyool leaves can be used as an anti-obesity agent with the action of inhibiting lipogenesis and promoting lipolysis and fatty acid oxidation in 3T3-L1 adipocytes.