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Hydrogen Bonding Dynamics of Phenol-(H2O)2 Cluster in the Electronic Excited State: a DFT/TDDFT Study (전자 여기상태에서 phenol-(H2O)2 크러스터의 수소결합 동력학: DFT/TDDFT 연구)

  • Wang, Se;Hao, Ce;Wang, Dandan;Dong, Hong;Qiu, Jieshan
    • Journal of the Korean Chemical Society
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    • v.55 no.3
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    • pp.385-391
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    • 2011
  • The time-dependent density functional theory (TDDFT) method has been carried out to investigate the excitedstate hydrogen-bonding dynamics of phenol-$(H_2O)_2$ complex. The geometric structures and infrared (IR) spectra in ground state and different electronically excited states ($S_1$ and $T_1$) of the hydrogen-bonded complex have been calculated using the density functional theory (DFT) and TDDFT method. A ring of three hydrogen bonds is formed between phenol and two water molecules. We have demonstrated that the intermolecular hydrogen bond $O_1-H_2{\cdots}O_3-H$ of the three hydrogen bonds is strengthened in $S_1$ and $T_1$ states. In contrast, the hydrogen bond $O_5-H_6{\cdots}O_1-H$ is weakened in $S_1$ and $T_1$ states. These results are obtained by theoretically monitoring the changes of the bond lengths of the hydrogen bonds and hydrogen-bonding groups in different electronic states. The hydrogen bond $O_1-H_2{\cdots}O_3-H$ strengthening in both the $S_1$ and $T_1$ states is confirmed by the calculated stretching vibrational mode of O-H (phenol) being red-shifted upon photoexcitation. The hydrogen bond strengthening and weakening behavior in electronically excited states may exist in other ring structures of phenol-$(H_2O)_n$.

Growth of the manila clam (Ruditapes philippinarum) cultured in Gomso tidal flat, Korea (곰소만 갯벌에서 양식되는 바지락 (Ruditapes philippinarum) 의 성장)

  • Lim, Hyun-Sig
    • The Korean Journal of Malacology
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    • v.32 no.3
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    • pp.189-195
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    • 2016
  • The growth of manila clam Ruditapes philippinarum inhabiting culturing ground was studied in west coast Gomso tidal flat of Korea, from August 2000 to July 2001. The density of the clam was the highest in November 2000, showing a monotonic decrease afterwards over the study period. Mean density was $1,224ind./m^2$ during the study period. Size frequencies of the clam showed a unimodal distribution, and its mode increased with shell growth over time. Although the growth of shell length of manila clam was monotonic, the growth rates decreased between July 2001 and February 2002 and increased from March 2002. The biomass of the clam also increased with time, in which the increments becoming larger since March 2002. The clam shell length had linear relationship to shell height, and had logarithmic relationship to total weight, meat wet weight, dry meat weight, and AFDW. Condition index of the clam increased continuously until April, decreasing afterwards in 2001. The pattern was similar in 2002. Based on fluctuations in condition index, the spawning time of manila clam in Gomso tidal flat is inferred to be between May and October. These results suggested that optimal harvests can be made before summer season when growth decreased and mass mortality occurred, after 24 months of seed shell release.

Tri-Band Folded Monopole Antenna Design with MNG Single Cell Metamaterial Loading (MNG 단일셀 메타매질 부하를 갖는 삼중대역 폴디드 모노폴 안테나 설계)

  • Lee, Young-Hun
    • Journal of IKEEE
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    • v.22 no.1
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    • pp.127-135
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    • 2018
  • This paper was studied the tri-band folded monopole antenna design with Mu-negative metamaterial unit cell, which operates at 700 MHz UHD broadcast band and 2.45 GHz/5 GHz WiFi band. The MNR metamaterial is fabricated by forming a capacitor on the backside of the antenna substrate and connecting it to the ground plane through a strip line and a via hole so that a single cell can operate in the MZR (Mu zero resonator). Through this, the resonance point can be controlled to resonate in the zero mode in 700 MHz band, and the bandwidth is improved. Experimental results show that the 10dB bandwidth and gain are 309 MHz (41.2%) and 5.298 dB at the first resonance point, and the 10dB bandwidth and gain at the second resonance point are 821.9 MHz (33.5%) and 2.7840 dB respectively. At the third resonance point, the gain and bandwidth were 1.1314 GHz (20.6%) and 2.9484 dB respectively. We confirmed that the resonance point with theoretical value is in agreement with experimental value. And the radiation pattern is generally omnidirectional, and it has been confirmed that the radiation pattern is good in both forward and backward directions at 0.75 GHz and 2.45 GHz, and has a radiation pattern with multiple lobes at 5.5 GHz.

Microwave Breakdown and High-Power Handling Capability of Circular Waveguide Cavity Filter (원통형 도파관 캐비티 필터의 마이크로파 방전과 고전력 취급 능력)

  • Lee, Sun-Ik;Kim, Joong-Pyo;Lim, Won-Gyu;Kim, Sang-Goo;Jang, Jin-Baek
    • Journal of Satellite, Information and Communications
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    • v.12 no.3
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    • pp.80-85
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    • 2017
  • In this paper, a mircrowave breakdown of X-band circular waveguide cavity filter, which occurred during ground test, was introduced, and electro-magnetic field simulation results to identify a root cause, and the analysis of possibility of its occurrence on orbit operation were presented. Filter modeling for simulation was conducted with a commercial tool (FEST3D), and electric fields inside the filter were monitored at the input of 1 W continuous wave. In our observation, strong electric field intensities were monitored on the tuning screws especially at the input of band-edge frequencies. The threshold power levels for the breakdown were also estimated and compared with the input power levels actually injected to the filter. From this estimation, we could figure out that the power exceeding the breakdown threshold was injected to the filter so that strong electric fields were generated and temperature increased high, and this became a root cause of the electrical short. Our further analysis showed that this kind of microwave breakdown is not likely to occur on orbit operation, and multipactor is expected not to occur at the input of band-edge frequencies. As a measure to prevent the microwave breakdown, we suggested to avoid the injection of band-edge frequencies and inject lower power levels to the filter.

Evaluation of Flexural Performance of Eco-Friendly Alkali-Activated Slag Fiber Reinforced Concrete Beams Using Sodium Activator (나트륨계 알칼리 활성화제를 사용한 친환경 알카리활성 슬래그 섬유보강콘크리트 보의 휨성능 평가)

  • Ha, Gee-Joo;Yi, Dong-Ryul;Ha, Jae-Hoon
    • Journal of the Korea institute for structural maintenance and inspection
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    • v.19 no.2
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    • pp.170-178
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    • 2015
  • In this study, it was developed eco-friendly alkali-activated slag fiber reinforced concrete using ground granulated blast furnace slag, alkali activator (water glass, sodium hydroxides), and steel fiber. Eight reinforced concrete beam using alkali-activated slag concrete were constructed and tested under monotonic loading. The major variables were mixture ratio of alkali activator, mixed/without of steel fiber. Experimental programs were carried out to improve and evaluate the flexural performance of such test specimens, such as the load-displacement, the failure mode, the maximum load carrying capacity, and ductility capacity. All the specimens were modeled in scale-down size. The reinforced concrete beams using the eco-friendly alkali-activated slag fiber reinforced concrete was failed by the flexure or flexure-shear in general. In addition, the maximum strength increased with the adding the mol of sodium hydroxide, and the specimen reinforced the steel fiber showed the value of maximum strength which is increased by 15.8% through 25.9%. It is thought that eco-friendly alkali-activated slag fiber reinforced concrete can be used with construction material and product to replace normal concrete. If there is applied to structures such as precast concrete member and production of 2nd concrete product, it could be improved the productivity and reduction of construction duration etc.

DETERMINATION OF MOISTURE AND NITROGEN ON UNDRIED FORAGES BY NEAR INFRARED REFLECTANCE SPECTROSCOPY(NIRS)

  • Cozzolino, D.;Labandera, M.;Inia La Estanzuela
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1620-1620
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    • 2001
  • Forages, both grazed and conserved, provide the basis of ruminant production systems throughout the world. More than 90 per cent of the feed energy consumed by herbivorous animals world - wide were provided by forages. With such world - wide dependence on forages, the economic and nutritional necessity of been able to characterize them in a meaningful way is vital. The characterization of forages for productive animals is becoming important for several reasons. Relative to conventional laboratory procedures, Near Infrared Reflectance Spectroscopy (NIRS) offers advantages of simplicity, speed, reduced chemical waste, and more cost-effective prediction of product functionality. NIR spectroscopy represents a radical departure from conventional analytical methods, in that entire sample of forage is characterized in terms of its absorption properties in the near infrared region, rather than separate subsamples being treated with various chemicals to isolate specific components. This forces the analyst to abandon his/her traditional narrow focus on the sample (one analyte at a time) and to take a broader view of the relationship between components within the sample and between the sample and the population from which it comes. forage is usually analysed by NIRS in dry and ground presentation. Initial success of NIRS analysis of coarse forages suggest a need to better understand the potential for analysis of minimally processed samples. Preparation costs and possible compositional alterations could be reduced by samples presented to the instrument in undried and unground conditions. NIRS has gained widespread acceptance for the analysis of forage quality constituents on dry material, however little attention has been given to the use of NIRS for chemical determinations on undried and unground forages. Relatively few works reported the use of NIRS to determine quality parameters on undried materials, most of them on both grass and corn silage. Only two works have been found on the determination of quality parameters on fresh forages. The objectives of this paper were (1) to evaluate the use of NIRS for determination of nitrogen and moisture on undried and unground forage samples and (2) to explore two mathematical treatments and two NIR regions to predict chemical parameters on fresh forage. Four hundred forage samples (n: 400) were analysed in a NIRS 6500 instrument (NIR Systems, PA, USA) in reflectance mode. Two mathematical treatments were applied: 1,4,4,1 and 2,5,5,2. Predictive equations were developed using modified partial least squares (MPLS) with internal cross - validation. Coefficient of determination in calibration (${R^2}_{CAL}$) and standard error in cross-validation (SECV) for moisture were 0.92 (12.4) and 0.92 (12.4) for 1,4,4,1 and 2,5,5,2 respectively, on g $kg^{-1}$ dry weight. For crude protein NIRS calibration statistics yield a (${R^2}_{CAL}$) and (SECV) of 0.85 (19.8) and 0.85 (19.6) for 1,4,4,1 and 2,5,5,2 respectively, on a dry weight. It was concluded that NIRS is a suitable method to predict moisture and nitrogen on fresh forage without samples preparation.

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ADVANTAGES OF USING ARTIFICIAL NEURAL NETWORKS CALIBRATION TECHNIQUES TO NEAR-INFRARED AGRICULTURAL DATA

  • Buchmann, Nils-Bo;Ian A.Cowe
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1032-1032
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    • 2001
  • Artificial Neural Network (ANN) calibration techniques have been used commercially for agricultural applications since the mid-nineties. Global models, based on transmission data from 850 to 1050 nm, are used routinely to measure protein and moisture in wheat and barley and also moisture in triticale, rye, and oats. These models are currently used commercially in approx. 15 countries throughout the world. Results concerning earlier European ANN models are being published elsewhere. Some of the findings from that study will be discussed here. ANN models have also been developed for coarsely ground samples of compound feed and feed ingredients, again measured in transmission mode from 850 to 1050 nm. The performance of models for pig- and poultry feed will be discussed briefly. These models were developed from a very large data set (more than 20,000 records), and cover a very broad range of finished products. The prediction curves are linear over the entire range for protein, fat moisture, fibre, and starch (measured only on poultry feed), and accuracy is in line with the performance of smaller models based on Partial Least Squares (PLS). A simple bias adjustment is sufficient for calibration transfer across instruments. Recently, we have investigated the possible use of ANN for a different type of NIR spectrometer, based on reflectance data from 1100 to 2500 nm. In one study, based on data for protein, fat, and moisture measured on unground compound feed samples, dedicated ANN models for specific product classes (cattle feed, pig feed, broiler feed, and layers feed) gave moderately better Standard Errors of Prediction (SEP) compared to modified PLS (MPLS). However, if the four product classes were combined into one general calibration model, the performance of the ANN model deteriorated only slightly compared to the class-specific models, while the SEP values for the MPLS predictions doubled. Brix value in molasses is a measure of sugar content. Even with a huge dataset, PLS models were not sufficiently accurate for commercial use. In contrast an ANN model based on the same data improved the accuracy considerably and straightened out non-linearity in the prediction plot. The work of Mr. David Funk (GIPSA, U. S. Department of Agriculture) who has studied the influence of various types of spectral distortions on ANN- and PLS models, thereby providing comparative information on the robustness of these models towards instrument differences, will be discussed. This study was based on data from different classes of North American wheat measured in transmission from 850 to 1050 nm. The distortions studied included the effect of absorbance offset pathlength variation, presence of stray light bandwidth, and wavelength stretch and offset (either individually or combined). It was shown that a global ANN model was much less sensitive to most perturbations than class-specific GIPSA PLS calibrations. It is concluded that ANN models based on large data sets offer substantial advantages over PLS models with respect to accuracy, range of materials that can be handled by a single calibration, stability, transferability, and sensitivity to perturbations.

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Satellite finite element model updating for the prediction of the effect of micro-vibration (미소진동 영향성 예측을 위한 인공위성 유한요소모델 보정)

  • Lim, Jae Hyuk;Eun, Hee-Kwang;Kim, Dae-Kwan;Kim, Hong-Bae;Kim, Sung-Hoon
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.42 no.8
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    • pp.692-700
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    • 2014
  • In this work, satellite FE (finite element) model updating for the prediction of the effect of micro-vibration is described. In the case of satellites launched in low earth orbit, high agility and more mission accomplishments are required by the customer in order to procure many images from satellites. To achieve the goal, many mechanisms, including high capacity wheels and antennas with multi-axis gimbals have been widely adopted, but they become a source of micro-vibration which could significantly deteriorate the quality of images. To investigate the effect due to the micro-vibration in orbit on the ground, a prediction is conducted through an integrated model coupling the measured jitter sources with FE (finite element) model. Before prediction, the FE model is updated to match simulation results with the modal survey test. Subsequently, the quality of FE model is evaluated in terms of frequency deviation error, the resemblance of mode shapes and FRFs (frequency response functions) between test and analysis.

Characteristics of Lineament and Fracture System in the North-eastern Area of Yosu Peninsula (여수반도 북동부지역의 선상구조와 단열계 분포특성)

  • 김경수;이은용;김천수
    • The Journal of Engineering Geology
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    • v.9 no.1
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    • pp.31-43
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    • 1999
  • This study aims to quantify the distribution characteristics of the fracture system for the numerical modeling of groundwater flow in the north-eastern area of Yosu peninsula. The study area is composed mainly of volcanic rocks and granite. The regional and site scale lineament in the range of magnitude Order 1 to Order 3 were analyzed from the geologic map, air-photograph and shaded relief map. The geometric parameter of Order 4 fracture system was acquired from the scanline survey on the ground surface. There is a similar trend in the preferred orientation between the regional lineament and the Order 4 fracture system except the Set 4 of Order 4 fracture system which is not prominent in the type. That is classified to three fracture sat of high dip angle and one of ow dip angle. From the lineament trend. The orientation of Order 4 fracture system has similar characteristics in each rock termination mode analysis, it is considered that the fracture system was developed systematically and sequentially from Set 1 to Set 4 Filling materials are distinct relatively in low dip angle set. The fracture spacing follows to lognoral distribution and the fracture frequency corrected by the modified Terzaghi correction ranges from 0.38 to 1.01 per mater in each fracture set. The fracture trace lenght also follows to lognormal distribution and ranges from 2.9m to 3.7m in each fracture set.

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Optimal Operation Algorithm of Protection Devices in Distribution Systems With PV System (대용량 태양광전원이 연계된 배전선로에 있어서 보호협조기기의 최적 운용알고리즘)

  • Kwon, Soon-hwan;Lee, Hu-dong;Nam, Yang-hyun;Rho, Dae-seok
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.19 no.5
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    • pp.17-26
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    • 2018
  • If a photovoltaic (PV) system is installed in a primary feeder interconnected with the PV system, bi-directional power flow can occur, and then, the magnitude and direction of the fault current can change, depending on the fault location and point of common coupling (PCC) of the PV system, and the time current curve (TCC) cannot be properly coordinated between protection devices. Also, it is difficult to obtain a proper time interval for protection devices because the conventional setting approach is applied, even though the PV system is installed and operating. Therefore, this paper presents three operation modes considering the operational conditions of the PV system to obtain setting values for protection devices. Based on the mode, this paper proposes an algorithm to calculate the optimal protection coordination time interval according to the introduction capacity of the PV system. In addition, this paper performs modelling of a distribution system with the PV system and protection devices by using Off-DAS S/W, and analyzes the characteristics of the time interval between the protection devices, such as substation relays, reclosers, customer relays, and PV customer relays. The simulation results confirmed that the proposed operational modes and setting-value algorithms are useful and effective for protection coordination in a distribution system for a PV system.