• Bulletin of the Korean Chemical Society
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• v.34 no.10
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• pp.3022-3026
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• 2013

The adsorption of carbon dioxide on graphene sheets was theoretically investigated using density functional theory (DFT) and MP2 calculations. Geometric parameters and adsorption energies were computed at various levels of theory. The $CO_2$ chemisorption energies on graphene-$C_{40}$ assuming high pressure are predicted to be 71.2-72.1 kcal/mol for the lactone systems depending on various C-O orientations at the UCAM-B3LYP level of theory. Physisorption energies of $CO_2$ on graphene were predicted to be 2.1 and 3.3 kcal/mol, respectively, at the single-point $UMP2/6-31G^{**}$ level of theory for perpendicular and parallel orientations.

• Korean Journal of Mathematics
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• v.22 no.1
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• pp.1-28
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• 2014

We consider the hypergeometric translation operator associated to the Cherednik operators and the Heckman-Opdam theory attached to the root system of type $B_2$. We prove in this paper that these operators are positivity preserving and allow positive integral representations. In particular we deduce that the product formulas of the Opdam-Cherednik and the Heckman-Opdam kernels are positive integral transforms, and we obtain best estimates of these kernels. The method used to obtain the previous results shows that these results are also true in the case of the root system of type $C_2$.

• 한국초전도학회:학술대회논문집
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• v.9
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• pp.196-199
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• 1999

The coexistence of the superconductivity and magnetism in the Ho1-xDyxNi2B2C is studied by using Ginzburg-Landau theory. This material violates the standard do Gennes scaling showing the coexistence and complex interplay of superconducting and magnetic order yielding an anomalous phase diagram. We propose a phenomenological model which includes two magnetic and two superconducting order parameters accounting for the multi-band structure of this material. We describe the magnetic fluctuations and order and demonstrate that they lead to anomalous behavior of the upper critical field. The doping dependence of Tc in Ho1-xDyxNi2B2C showing a reentrance behavior are analyzed yielding a very good agreement with experimental data.

• Kyungpook Mathematical Journal
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• v.30 no.2
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• pp.137-162
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• 1990

• Korean Journal of Mathematics
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• v.22 no.4
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• pp.711-723
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• 2014

We prove in this paper the absolute continuity of the representing measures of the hypergeometric translation operators $\mathcal{T}_x$ and $\mathcal{T}_x^W$ associated respectively to the Cherednik operators and the Heckman-Opdam theory attached to the root system of type $B_2$ and $C_2$ which are studied in [9].

• Structural Engineering and Mechanics
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• v.8 no.6
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• pp.623-637
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• 1999

This paper presents a four-noded quadrilateral $C^0$ strain plate element for the analysis of thick laminated composite plates. The element formulation is based on: 1) the third-order shear deformation theory; 2) assumed strain element formulation; and 3) interrelated edge displacements and rotations along element boundaries. Unlike the existing displacement-type composite plate elements based on the third-order theory, which rely on the $C^1$-continuity formulation, the present plate element is of $C^0$-continuity, and its element stiffness matrix is evaluated explicitly. Because of the third-order expansion of the in-plane displacements through the thickness, the resulting theory and hence elements do not need shear correction factors. The explicit element stiffness matrix makes the present element more computationally efficient than the composite plate elements using numerical integration for the analysis of thick layered composite plates.

• Journal of Information Processing Systems
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• v.16 no.2
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• pp.318-328
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• 2020

Letter of Credit (L/C) is currently a very popular international settlement method frequently used in international trade processes amongst countries around the globe. Compared with other international settlement methods, however, L/C has some obvious shortcomings. Firstly, it is not easy to use due to the sophisticated processes its usage involves. Secondly, it is sometimes accompanied by a few risks and some uncertainty. Thus, highly efficient methods need to be used to assess and control these risks. To begin with, FAHP and KMV methods are used to resolve the problem of incomplete information associated with L/C and then, on this basis, Bayesian game theory is used in order to make more scientific and reasonable decisions with respect to international trade.

• Journal of the Korean Chemical Society
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• v.53 no.1
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• pp.7-16
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• 2009

The global minimum structures of the benzene-water, Bz-$H_2O$ and benzene-water cation complex, [Bz-$H_2O]^+$ have been investigated using ab initio and density functional theory(DFT) with very large basis sets. The highest levels of theory employed in this study are B3LYP/cc-pVQZ for geometry optimization and MP2/aug-cc-pVTZ//B3LYP/aug-cc-pVTZ for binding energy. The harmonic vibrational frequencies and IR intensities are also determined at the various levels of theory to confirm whether the structure of water complex is affected by the presence of benzene. The binding energies of Bz-$H_2O$ (N-1) structure are predicted to be 3.92 kcal/mol ($D_e$) and 3.11 kcal/mol ($D_0$) after the zero-point vibrational energy correction at the MP2/cc-pVQZ//B3LYP/cc-pVQZ level of theory. The binding energies of [Bz-$H_2O]^+$ (C-1) structure are predicted to be 9.06 kcal/mol for $D_e$ and 7.82 kcal/mol for $D_0$ at the same level of theory.

• Journal of applied mathematics & informatics
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• v.41 no.4
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• pp.861-868
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• 2023

Nonlinear network creates complex homotopy structural communication in wireless network medium because of complex distribution approach. Due to this multicast topological connection structure, the queuing probability was non regular principles to create routing structures. To resolve this problem, we propose a Co-cluster homotopy queuing model (Co-CHQT) for Nonlinear Algebraic Topological Structure (NLTS-) for improving poison distribution network communication. Initially this collects the routing propagation based on Nonlinear Distance Theory (NLDT) to estimate the nearest neighbor network nodes undernon linear at x_(a,b)→ax²+bx² = c. Then Quillen Network Decomposition Theorem (QNDT) was applied to sustain the non-regular routing propagation to create cluster path. Each cluster be form with co variance structure based on Two unicast 2(n+1)-Z2(n+1)-Z network. Based on the poison distribution theory X_(a,b) ≠ µ(C), at number of distribution routing strategies weights are estimated based on node response rate. Deriving shorte;'l/st path from behavioral of the node response, Hilbert -Krylov subspace clustering estimates the Cluster Head (CH) to the routing head. This solves the approximation routing strategy from the nonlinear communication depending on Max- equivalence theory (Max-T). This proposed system improves communication to construction topological cluster based on optimized level to produce better performance in distance theory, throughput latency in non-variation delay tolerant.

• Structural Engineering and Mechanics
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• v.16 no.2
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• pp.115-126
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• 2003

A novel finite element model based on the incremental endochronic theory with the effect of temperature was developed in this study to explore the deformed behaviors of a flexible pavement material. Three mesh systems and two loading steps were used in the calculation process for a specimen of three-dimensional circular cylinder. Computational results in the case of an uni-axial compression test for temperatures at $20^{\circ}C$ and at $40^{\circ}C$ were compared with available experimental measurements to verify the ability of developing numerical scheme. The isotropic response and the deviatoric response due to the thermal effect were presented from deformations in different profiles and displacement plots for the entire specimen. The characteristics of changing asphalt concrete material under a specified loading condition might be seen clearly from the numerical results, and might provide an useful information in the field of road engineering.