• Korean Journal of Mineralogy and Petrology
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• v.36 no.4
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• pp.355-363
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• 2023

In this study, we explore the nature of clumped isotopes of H₂O molecule using quantum chemical calculations. Particularly, we estimated the relative clumping strength between diverse isotopologues, consisting of oxygen (¹⁶O, ¹⁷O, and ¹⁸O) and hydrogen (hydrogen, deuterium, and tritium) isotopes and quantify the effect of temperature on the extent of isotope clumping. The optimized equilibrium bond lengths and the bond angles of the molecules are 0.9631-0.9633 Å and 104.59-104.62°, respectively, and show a negligible variation among the isotopologues. The calculated frequencies of the modes of H₂O molecules decrease as isotope mass number increases, and show a more prominent change with varying hydrogen isotopes over those with oxygen isotopes. The equilibrium constants of isotope substitution reactions involving these isotopologues reveal a greater effect of hydrogen mass number than oxygen mass number. The calculated equilibrium constants of clumping reaction for four heavy isotopologues showed a strong correlation; particularly, the relative clumping strength of three isotopologues was 1.86 times (HT¹⁸O), 1.16 times (HT¹⁷O), and 0.703 times (HD¹⁷O) relative to HD¹⁸O, respectively. The relative clumping strength decreases with increasing temperature, and therefore, has potential for a novel paleo-temperature proxy. The current calculation results highlight the first theoretical study to establish the nature of clumped isotope fractions in H₂O including ¹⁷O and tritium. The current results help to account for diverse geochemical processes in earth's surface environments. Future efforts include the calculations of isotope fractionations among various phases of H₂O isotopologues with a full consideration of the effect of anharmonicity in molecular vibration.

• The Journal of Korean Society for Radiation Therapy
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• v.26 no.1
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• pp.11-19
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• 2014

Purpose : To derive the most appropriate factors by considering the effects of the major factors when applied to the optimization algorithm, thereby aiding the effective designing of a ideal treatment plan. Materials and Methods : The eclipse treatment planning system(Eclipse 10.0, Varian, USA) was used in this study. The PBC (Pencil Beam Convolution) algorithm was used for dose calculation, and the DVO (Dose Volume Optimizer 10.0.28) Optimization algorithm was used for intensity modulated radiation therapy. The experimental group consists of patients receiving intensity modulated radiation therapy for the head and neck cancer and dose prescription to two planned target volume was 2.2 Gy and 2.0 Gy simultaneously. Treatment plan was done with inverse dose calculation methods utilizing 6 MV beam and 7 fields. The optimal algorithm parameter of the established plan was selected based on volume dose-priority(Constrain), dose fluence smooth value and the impact of the treatment plan was analyzed according to the variation of each factors. Volume dose-priority determines the reference conditions and the optimization process was carried out under the condition using same ratio, but different absolute values. We evaluated the surrounding normal organs of treatment volume according to the changing conditions of the absolute values of the volume dose-priority. Dose fluence smooth value was applied by simply changing the reference conditions (absolute value) and by changing the related volume dose-priority. The treatment plan was evaluated using Conformal Index, Paddick's Conformal Index, Homogeneity Index and the average dose of each organs. Results : When the volume dose-priority values were directly proportioned by changing the absolute values, the CI values were found to be different. However PCI was $1.299{\pm}0.006$ and HI was $1.095{\pm}0.004$ while D5%/D95% was $1.090{\pm}1.011$. The impact on the prescribed dose were similar. The average dose of parotid gland decreased to 67.4, 50.3, 51.2, 47.1 Gy when the absolute values of the volume dose-priority increased by 40,60,70,90. When the dose smooth strength from each treatment plan was increased, PCI value increased to $1.338{\pm}0.006$. Conclusion : The optimization algorithm was more influenced by the ratio of each condition than the absolute value of volume dose-priority. If the same ratio was maintained, similar treatment plan was established even if the absolute values were different. Volume dose-priority of the treatment volume should be more than 50% of the normal organ volume dose-priority in order to achieve a successful treatment plan. Dose fluence smooth value should increase or decrease proportional to the volume dose-priority. Volume dose-priority is not enough to satisfy the conditions when the absolute value are applied solely.

• Journal of the Mineralogical Society of Korea
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• v.20 no.4
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• pp.313-325
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• 2007

In order to have better insights into adsorption of organic molecules on kaolinite surfaces, we performed quantum chemical calculations of interaction between three different model clusters of kaolinite siloxane surfaces and benzyl alcohol, with emphasis on the effect of size and lattice topology of the cluster on the variation of electron density and magnetic shielding tensor. Model cluster 1 is an ideal silicate tetrahedral surface that consists of 7 hexagonal rings, and model cluster 2 is composed of 7 ditrigonal siloxane rings with crystallographically distinct basal oxygen atoms in the cluster, and finally model cluster 3 has both tetrahedral and octahedral layers. The Mulliken charge analysis shows that siloxane surface of model cluster 3 undergoes the largest electron density transfer after the benzyl alcohol adsorption and that of model cluster 1 is apparently larger than that of model cluster 2. The difference of Mulliken charges of basal oxygen atoms before and after the adsorption is positively correlated with hydrogen bond strength. NMR chemical shielding tensor calculation of clusters without benryl alcohol shows that three different basal oxygen atoms (O3, O4, and O5) in model cluster 2 have the isotropic magnetic shielding tensor as $228.2{\pm}3.9,\;228.9{\pm}3.4,\;and\;222.3{\pm}3.0ppm$, respectively. After the adsorption, the difference of isotropic chemical shift varies from 1 to 5.5 ppm fer model cluster 1 and 2 while model cluster 2 apparently shows larger changes in isotropic chemical shift. The chemical shift of oxygen atoms is also positively correlated with electron density transfer. The current results show that the adsorption of benzyl alcohol on the kaolinite siloxane surfaces can largely be dominated by a weak hydrogen bonding and electrostatic force (charge-charge interaction) and demonstrate the importance of the cluster site and the lattice topology of surfaces on the adsorption behavior of the organic molecules on clay surfaces.

• Journal of the Korean Institute of Traditional Landscape Architecture
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• v.31 no.4
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• pp.113-122
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• 2013

In this study, the traditional structure of the impact on the stability analysis. Korean traditional landscape architecture column space of stonework stable composition as the foundation of the fence for a long time been known to fall down and not maintained. The destination of research Ohgokmun Damyang Soswaewon fence which is in harmony with nature is one of the traditional structures that affect its shape without being kept so far came true. This includes our ancestral wisdom and that wisdom can guess guesswork. But I let the traditional reproduction incidence structures frequently. This deviation from the traditional method of construction application of shorthand stand. Thus, the subject of this study, the factors that do not fall down fences Ohgokmun solution is to indirectly gain the weak. In addition, epidemiological studies and the methods of calculation of the inferred physical examination, the results of the analysis were derived through the following. First, the internal factors of the fence Ohgokmun constituting the structural member and the coupling of the scheme. 1) based on stable ground. Greater role in the country rock The fact that the settlement will have no symptoms. 2) to minimize the friction caused by hydrological water to remove the two-pronged process through stone work building form and menu sustaining power in hydrology and flooding made against the bypass channel. 3) due to the load bearing capacity and durability to withstand the strength of the material and the construction of structures in the form of a dispersion of power between each individual to maximize the process of getting traction was applied. Second, external factors Ohgokmun fence the results obtained through the calculation of the dynamics of repair, is greatly affected by the wind and the water gate of the fence, but the action of the structural stability of the lack of power that hurt enough conclusion. In this study, the results of the structure of internal and external influence as well through the structure can be viewed as composed consisting. However, over the next follow-up in terms of climate and environmental factors due to the fact that the fall might.

• Journal of the Earthquake Engineering Society of Korea
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• v.9 no.5 s.45
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• pp.75-86
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• 2005

In performance-based design methods, it is clear that the evaluation of the nonlinear response is required. Analysis methods available to the design engineer today are nonlinear time history analyses, or monotonic static nonlinear analyses, or equivalent static analyses with simulated inelastic influences. The nonlinear time analysis is the most accurate method in computing the nonlinear response of structures, but it is time-consuming and necessitate more efforts. Some codes proposed the capacity spectrum method based on the nonlinear static analysis to determine earthquake-induced demand. The nonlinear direct spectrum method is proposed and studied to evaluate nonlinear response of structures, without iterative computations, given by the structural linear vibration period and yield strength from pushover analysis. The purpose of this paper is to compare the accuracy and the reliability of approximate nonlinear methods with respect to shear buildings and various earthquakes. The conclusions of this study are summarized as follows: 1) Linear capacity spectrum method may fail to find a convergent answer or make a divergence. Even if a convergent answer is found, it has a large error in some cases and the error varies greatly depending on earthquakes. 2) Although nonlinear capacity spectrum method need much less calculation than capacity spectrum method and find an answer in any case, it may be difficult to obtain an accurate answer and generally large error occurs. 3) The nonlinear direct spectrum method is thought to have good applicability because it produce relatively correct answer than other methods directly from pushover curves and nonlinear response spectrums without additional and iterative calculations.

• Journal of the Korean Geotechnical Society
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• v.15 no.6
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• pp.263-272
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• 1999

Slice method is commonly used in solving slope stability problems since it is easy to use and its computation time is rather short. But depending upon the assumptions on the inter-slice forces, different methods are available. Quite often the difference between methods are so big that it is very difficult to make engineering decisions. This paper describes a method to calculate the factor of safety of a slope using FLAC, a finite difference based program. A FISH routine is developed to calculate the factor of safety, and verified by comparing with Chen's limit equilibrium solution. An example problem was selected from Fredlund and Krhan's paper, and results were compared for different soil and water conditions. The difference was less than 0.01 when the soil is homogeneous, and less than 5 % when a weak layer is embedded. Since most geotechnical application programs are capable of considering complicated ground conditions as well as the effect of ground supports, numerical methods are believed to be very useful in making engineering decisions. The developed routine can be applied to the calculation of the factor of safety of jointed rock slopes or weathered rock slopes where the use of slice method is limited.

• Analytical Science and Technology
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• v.5 no.4
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• pp.389-399
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• 1992

Liquid Chromatographic behavior of Pd(II) in Isonitrosoethylacetoacetate lmine, $Pd(IEAA-NR)_2$ (R=H, $CH_3$, $C_2H_5$, $n-C_3H_7$, $C_6H_5-CH_2$, $n-C_4H_9$) chelates were investigated by reversed-phase HPLC on Micropak MCH-5 column using methanol/water as mobile phase. The optimum conditions for the separation of $Pd(IEAA-NR)_2$ chelates were examined with respect to the effect of the flow rate, sample solvent, mobile phase strength and column temperature. It wass found that metal chelates were properly eluted in an acceptable range of capacity factor value($0{\leq}log\;k^{\prime}{\leq}1$). The dependence of the logarithm of capacity factor(k') on the volume fraction of water in the binary mobile phase was examined. Also, the dependence of k' on the liquid-liquid extration distribution ratio($D_c$) in methanol-water/n-alkane extration system was investigated. Both kinds of dependence are linear, which susggests that the retention of the electroneutral metal chelate is largely due to the solvophobic effect. Standard adsorption enthalpy changes (${\Delta}H^{\circ}$) and standard adsorption entropy changes (${\Delta}S^{\circ}$) of Pd(II) Isonitrosoethylacetoacetate imine chelates on Micropak MCH-5 column were calculated by measuring capacity factor with changing temperature of the column.

• Journal of the Korean Society of Marine Environment & Safety
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• v.23 no.4
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• pp.393-399
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• 2017

In a reciprocating compressor, the piston and connecting rod are important parts. Excess mechanical stress on these parts may cause damage, and broken parts are expensive and difficult to replace. Therefore, it is necessary to analyze the mechanical stress affecting durability and longevity. The main purpose of this study was to identify locations of maximum stress on pistons and connecting rods. Based on dynamic calculation of the working process of a specific air compressor, an analysis of piston and connecting rod performance has been completed. A three-dimensional model for the air compressor's pistons and connecting rods was built separately, and FEM analysis of these components was carried out using a numerical method. The pistons were loaded by pressure which was changed according to crankshaft angle without thermal boundary conditions. The simulation results were used to predict and estimate stress concentration as well as the value of this stress on pistons and connecting rods. The maximum equivalent stress calculated are over 190 MPa on pistons and 123 MPa on connecting rods at crank angle $135^{\circ}$ and $225^{\circ}$ but these are under tensile yield strength. Besides, the calculated safety factors of connecting rods and pistons is higher than 1. Moreover, the results obtained can be used to provide manufacturers with references to optimize the design of pistons and connecting rods for reciprocating compressors.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.29 no.6
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• pp.283-293
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• 2019

As applications in extreme environments such as aerospace, high-energy plasma and radio-active circumstances increases, the demand for materials that require higher melting points, higher mechanical strength and improved thermal conductivity continues to increase. Accordingly, in order to improve the oxidation/abrasion resistance of the carbon-carbon composite, which is a typical heat-resistant material, a method of using ultra high temperature ceramics was reviewed. The advantages and disadvantages of CVD coating, pack cementation and thermal plasma spraying, the simplest methods for synthesizing ultra-high temperature ceramics, were compared. As a method for applying the CVD coating method to C/C composites with complex shapes, the possibility of using thermodynamic calculation and CFD simulation was proposed. In addition, as a result of comparing the oxidation resistance of the TaC/SiC bi-layer coating and TaC/SiC multilayer coating produced by this method, the more excellent oxidation resistance of the multilayer coating on C/C was confirmed.

• Journal of KIISE:Software and Applications
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• v.27 no.7
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• pp.769-783
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• 2000

In this paper, in order to disambiguate Korean noun word sense, we define a local context and explain how to extract it from a raw corpus. Following the intuition that two different nouns are likely to have similar meanings if they occur in the same local context, we use, as a clue, the word that occurs in the same local context where the target noun occurs. This method increases the usability of extracted knowledge and makes it possible to disambiguate the sense of infrequent words. And we can overcome the data sparseness problem by extending the verbs in a local context. The sense of a target noun is decided by the maximum similarity to the clues learned previously. The similarity between two words is computed by their concept distance in the sense hierarchy borrowed from WordNet. By reducing the multiplicity of clues gradually in the process of computing maximum similarity, we can speed up for next time calculation. When a target noun has more than two local contexts, we assign a weight according to the type of each local context to implement the differences according to the strength of semantic restriction of local contexts. As another knowledge source, we get a co-occurrence information from dictionary definitions and example sentences about the target noun. This is used to support local contexts and helps to select the most appropriate sense of the target noun. Through experiments using the proposed method, we discovered that the applicability of local contexts is very high and the co-occurrence information can supplement the local context for the precision. In spite of the high multiplicity of the target nouns used in our experiments, we can achieve higher performance (89.8%) than the supervised methods which use a sense-tagged corpus.