• Journal of the Korean Ceramic Society
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• v.42 no.5 s.276
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• pp.304-307
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• 2005

The possible configurations of hydroxyl group in hexagonal hydroxyapatite were identified through molecular orbital calculation. The molecular orbital interaction between O and H in hydroxyl column was analyzed using charge variation and Bond Overlap Population (BOP). We supposed 5 kinds of O-H bond configurations as cluster types of I, II, III, IV, and V. Mulliken's population analysis was applied to evaluate ionic charges of O, H, P, and Ca ions, and BOPs (Bond Overlap Populations) in order to discuss the bond strength change by the atomic arrangement. The stability of each O-H bond configuration was analyzed using bond overlap and ionic charge.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.07a
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• pp.259-262
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• 2003

The surface electronic state of rutile $TiO_2$, which is an oxide semiconductor and has a wide band gap of 3.1 $\sim$ 3.5 eV, was calculated by DV-$X_{\alpha}$ method, which is a sort of the first principle molecular orbital method and uses Hartre-Fock-Slater approximation. The $[Ti_{15}O_{56}]^{-52}$ cluster model was used for the calculation of bulk state and the $[OTi_{11}O_{34}]^{-24}$ model for the surface state calculation. After calculations, the energy level diagrams and the deformation electron density distribution map were compared in both models. As results, it was identified that the surface energy levels are found between the valence and conduction band of bulk $TiO_2$ on the surface area. The energy values of these surface-induced levels are lower than conduction band of bulk $TiO_2$ by 0.1 $\sim$ 1 eV. From this fact, it is expected that the surface energy levels act as donar levels in n-type semiconductor.

• Steel and Composite Structures
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• v.45 no.3
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• pp.425-436
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• 2022

The mechanical behaviors of the prefabricated steel-concrete composite beams are usually affected by the strength and the number of shear studs. Furthermore, the discrete degree of the arrangement for shear stud clusters, being defined as the clustering degree of shear stud λ in this paper, is an important factor for the mechanical properties of composite beams, even if the shear connection degree is unchanged. This paper uses an experimental and calculation method to investigate the influence of λ on the mechanical behavior of the composite beam. Five specimens (with different λ but having the same shear connection degree) of prefabricated composite beams are designed to study the ultimate supporting capacity, deformation, slip and shearing stiffness of composite beams. Experimental results are compared with the conventional slip calculation method (based on the influence of λ) of prefabricated composite beams. The results showed that the stiffness in the elastoplastic stage is reduced when λ is greater than 0.333, while the supporting capacity of beams has little affected by the change in λ. The slip distribution along the beam length tends to be zig-zagged due to the clustering of studs, and the slip difference increases with the increase of λ.

• Journal of The Korean Astronomical Society
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• v.26 no.1
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• pp.47-64
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• 1993

The photometric evolution of cluster stars are examined for six synthetic clusters in the age range from $2.4\times10^6\;yr\;to\;7.6\times10^8yr$ by using the detailed evolutionary model calculation, and their results are compared with the observed integrated absolute magnitude and colors of 47 clusters. The reasonable agreements of the observed photometric parameters with the synthetic evolutionary sequences imply that there is a general form of time-dependent IMF including the noncoeval formation of stars and its detailed function is changed slightly with various environmental conditions of each primordial cloud.

• 한국전산유체공학회:학술대회논문집
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• 2002.10a
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• pp.84-87
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• 2002

When computing the flow around complex three dimensional configurations, the generation of grid is the sunt time consuming part of any calculation. The object of this study is to develop the grid duster techniques capable of resolving complex flows with shock waves, expansion waves, shear layers, and cursive shapes, The Dot insert method of Non-Uniform Rational B-Splines is described as a id control method.

• The Bulletin of The Korean Astronomical Society
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• v.46 no.1
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• pp.47.1-47.1
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• 2021

Cosmic Dawn III (CoDa III) is the last of the series of simulations of the reionization of the Local Group, the galaxy cluster including the Milky Way and the M31. The simulation is based on the constrained initial condition, N-body and hydrodynamic simulation of structure formation, modelling of galaxy formation, calculation of radiation transfer, and calibration against the observed high-redshift galaxy luminosity function. We present various physical properties we observed and important lessons that could stimulate future observations.

• The Journal of the Institute of Internet, Broadcasting and Communication
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• v.15 no.6
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• pp.187-193
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• 2015

The ICT healing platform sets a couple of goals including preventing chronic diseases and sending out early disease warnings based on personal information such as bio-signals and life habits. The 2-step open system(TOS) had a relay designed between the healing platform and the storage of personal health data. It also took into account a publish/subscribe(pub/sub) service based on large-scale connections to transmit(monitor) the data processing process in real time. In the early design of TOS pub/sub, however, the same buffers were allocated regardless of connection idling and type of message in order to encode connection messages into a deflate algorithm. Proposed in this study, the dynamic buffer allocation was performed as follows: the message transmission type of each connection was first put to queuing; each queue was extracted for its feature, computed, and converted into vector through tf-idf, then being entered into a k-means cluster and forming a cluster; connections categorized under a certain cluster would re-allocate the resources according to the resource table of the cluster; the centroid of each cluster would select a queuing pattern to represent the cluster in advance and present it as a resource reference table(encoding efficiency by the buffer sizes); and the proposed design would perform trade-off between the calculation resources and the network bandwidth for cluster and feature calculations to efficiently allocate the encoding buffer resources of TOS to the network connections, thus contributing to the increased tps(number of real-time data processing and monitoring connections per unit hour) of TOS.

• Proceedings of the Materials Research Society of Korea Conference
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• 1994.11a
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• pp.1-1
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• 1994

;The electronic state calculations for various types of ceramic materials have beell performed by the use of $DV-X\;{\alpha}$ cluster method. The molecular orbital levels and wave functions for model clusters have been computed to study the electronic properties ami chemical bonding of the ceramics. For ${\beta}-sialon(Si_{6-z}Al_zO_zN_{8-z})$ which is a high temperature structural material based on ${\beta}-Si_3N_4$, we have made model cluster calculations to estimate the strength of chemical bonding between atoms by the Mulliken population analysis. It is found that the covalent bonding between Si and N atoms is very strong in pure ${\beta}-Si_3N_4$, but the covalency around solute atom is considerably weakened when Si atom is substituted by AI. This tendency is enhanced by an additional substitution of oxygen atom for N. The result calculated can well explain the experimental data of changes in mechanical properties such as the reductions of Young's modulus and Vickers hardness with increment of z-value in ${\beta}-sialon$. Various model clusters for transition metal oxides which show many interesting physical and chemical properties have also been calculated. High-valent perovskite-type iron oxides EMFe0_3E(M=Ca and Sr) possess very interesting magnetic and chemical properties. In these oxides, iron exists as $Fe^{4+}$ state, but the experimental measurement of Mossba~er effect suggests that disproportionation $2Fe^{4+}=Fe^{3+}+Fe^{5+}$ takes place for $CaFe0_3$ at low temperatures. The model cluster calculations for these compounds indicated the existence of considerably strong covalent bonding of Fe-O. The calculations of hyperfine interaction at iron neucleus show very good agreement with the experimental Mossbauer measurements. The result calculated also implies that the disproportionation reaction is strongly possible by assuming the quenching of breathing phonon mode at low temperatures.tures.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2003.11a
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• pp.148-151
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• 2003

The spin density of ${\beta}-MnO_2$ structure was theoretically investigated by $DV-X_{\alpha}$ (the discrete variation $X{\alpha}$) method, which is a sort of the first principle molecular orbital method using Hatre-Fock-Slater approximation. The used cluster model was $[Mn_{14}O_{56}]^{-52}$. The ${\beta}-MnO_2$ is a paramagnetic oxide semiconductor material having the energy band gap of 0.18 eV and an 3 loan-pair electrons in the 3d orbital of an cation. This material exhibits spin-only magnetism and has the magnetic ordering temperature of 94 K. Below this temperature its magnetism appears as antiferromagnetism. The calculations of electronic state showed that if the initial spin condition of input parameters changed, the magnetic state changed from paramagnetic to antiferromagnetic. When d orbital of all Mn atoms in cluster had same initial spin state as only up spin, paramagnetic spin density distribution appeared by the calculation. On the other way, d orbital had alternately changed spin state along special direction the resulted spin distribution showed antiferromagnetism.

• Journal of Internet Computing and Services
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• v.18 no.2
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• pp.61-73
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• 2017

In this paper, we propose a Documents Cluster Labeling method using information content of words in clusters to understand what the clusters imply. To do so, we calculate the weight and frequency of the words. These two measures are used to determine the weight among the words in the cluster. As a nest step, we identify the candidate labels using the WordNet. At this time, the candidate labels are matched to least common hypernym of the words in the cluster. Finally, the representative labels are determined with respect to information content of the words and the weight of the words. To prove the superiority of our method, we perform the heuristic experiment using two kinds of measures, named the suitability of the candidate label ($Suitability_{cl}$) and the appropriacy of representative label ($Appropriacy_{rl}$). In applying the method proposed in this research, in case of suitability of the candidate label, it decreases slightly compared with existing methods, but the computational cost is about 20% of the conventional methods. And we confirmed that appropriacy of the representative label is better results than the existing methods. As a result, it is expected to help data analysts to interpret the document cluster easier.