• Journal of Electrical Engineering and Technology
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• 제11권4호
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• pp.943-950
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• 2016

In this paper, we propose to analyze the physical characteristics of a planar dual-composite right-left handed transmission line by a common application of Bond Graph approach and Scattering formalism (Methodology S.BG). The technique, we propose consists, on the one hand, of modeling of a dual composite right-left metamaterial transmission line (D-CRLH-TL) by Bond Graph approach, and, it consists of extracting the equivalent circuit of this studied structure. On the other hand, it consists to exploiting the scattering parameters (Scattering matrix) of the DCRLH-TL using the methodology which we previously developed since 2009. Finally, the validation of the proposed and used technique is carried out by comparisons between the simulations results with ADS and Maple (or MatLab).

• Bulletin of the Korean Chemical Society
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• 제15권2호
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• pp.112-114
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• 1994

When an electron is transferred to $C_{60}$, the bond structure is distorted due to the electron-lattice interaction and a polaron-like state is formed. The evolution process of the bond distortion is studied by the dynamical equation of atomic lattice, and time-dependent changes of the bond lengths are determined. Then it can be estimated that the relaxation time to form the polaron-like state is a fraction of a picosecond.

• Bulletin of the Korean Chemical Society
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• 제7권5호
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• pp.391-395
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• 1986

MNDO calculations were carried out to determine reactant complexes and transition states of the $S_N2$ reactions of $CH_3X\;+\;Y^-\;{\to}\;CH_3Y\;+\;X^-$ where X = F, Cl, CN and Y = CN, OH, F, Cl. The leaving group ability was found to vary inversely with the activation barrier, which in turn was mainly ascribable to the deformation energies accompanied with bond stretching of C-X bond and inversion of $CH_3$ group. The nucleophilicity was shown to be in the order $Cl^->F^->OH^->CN^-$ but the effect on the activation barrier was relatively small compared with that of the leaving group. The bond breaking and bond formation indices and energy decomposition analysis showed that the TS for the reaction of $CH_3$Cl occurs in the early stage of the reaction coordinate relative to that of $CH_3$F. It has been shown that the potential energy surface (PES) diagrams approach can only accommodate thermodynamic effects but fails to correlate intrinsic kinetic effects on the TS structure.

• Steel and Composite Structures
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• 제32권4호
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• pp.537-548
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• 2019

This paper introduces an improved numerical model which can consider the bond-slip effect in steel-concrete composite structures without taking double nodes to minimize the complexity in constructing a finite element model. On the basis of a linear partial interaction theory and the use of the bond link element, the slip behavior is defined and the equivalent modulus of elasticity and yield strength for steel is derived. A solution procedure to evaluate the slip behavior along the interface of the composite flexural members is also proposed. After constructing the transfer matrix relation at an element level, successive application of the constructed relation is conducted from the first element to the last element with the compatibility condition and equilibrium equations at each node. Finally, correlation studies between numerical results and experimental data are conducted with the objective of establishing the validity of the proposed numerical model.

• 대한화학회지
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• 제68권2호
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• pp.65-73
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• 2024

The halide-acetylene anions, X^--HCCH (X = F, Cl, and Br) have been studied by using several different ab initio and DFT methods to determine structures, hydrogen-bond energies, vibrational frequencies of the anion complexes. Although the halide-acetylene complexes all have linear equilibrium structures, it is found that the fluoride complex is characterized with distinctively different structure and interactions compared to those of the chloride and bromide complexes. The performance of various density functionals on describing ionic hydrogen-bonded complexes is assessed by examining statistical deviations with respect to high level ab initio CCSD(T) results as reference. The density functionals employed in the present work show considerably varying degrees of performance depending on the properties computed. The performances of each density functional on geometrical parameters related with the hydrogen bond, hydrogen-bond energies, and scaled harmonic frequencies of the anion complexes are examined and discussed based on the statistical deviations.

• Bulletin of the Korean Chemical Society
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• 제34권4호
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• pp.1250-1252
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• 2013

• Restorative Dentistry and Endodontics
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• 제23권1호
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• pp.247-256
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• 1998

To evalutate the change in shear bond strength according to dentin surface treatment, 4 materials were divided into control group(A) and experimental group(B). Group A was treated according to the instruction of manufacture. Group B was treated with 32% phosphoric acid. After dentin surface treatment, each material was bonded and stored in 100% humidity during 7 days, and then, the shear bond strength was evaluated. The results were as follows: 1. In the case of treatment according to the instruction of manufacture, the shear bond strength according to material showed Z-100 to be highest with 12.42 MPa, Compoglass had the lowest shear bond strength with 4.23 MPa and there was significant difference between Compoglass and Z-100, Dyract (p<0.01). 2. The group treated with 32% phosphoric acid showed lower shear bond strength than that of the group treated according to the instruction of manufacture but there was no statistical significance. 3. As a result of observation under SEM, the fracture pattern was a mixture of cohesive and adhesive failure in group 1, and there was more adhesive failure in group 2, and in group 3 and 4 there was cohesive failure of material or tooth structure. From the results above Dyract showed shear bond strength levels between resin and resin -modified glass ionomer but Compoglass showed much lower shear bond strength than that of resin-modified glass ionomer thus indicating that even though they are the same type of material they show evident differences in physical properties. And it is thought that the treatment of dentin surface with phosphoric acid did not increase the shear bond strength, unlike enamel.

• 한국초전도ㆍ저온공학회논문지
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• 제18권4호
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• pp.1-4
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• 2016

We investigated the relation between the Cu-O bond length and the superconducting properties of $BaSnO_3$ (BSO)-added $GdBa_2Cu_3O_{7-x}$ (GdBCO) thin films by using extended x-ray absorption fine structure (EXAFS) spectroscopy. 4 wt.% $BaSnO_3$ (BSO) added $GdBa_2Cu_3O_{7-x}$ (GdBCO) thin films with varying thickness from $0.2{\mu}m$ to $1.0{\mu}m$ were fabricated by using pulsed laser deposition (PLD) method. The transition temperature ($T_c$) and the residual resistance ratio (RRR) of the GdBCO films increased with increasing thickness up to $0.8{\mu}m$, where the crystalline BSO has the highest peak intensity, and then decreased. This uncommon behaviors of $T_c$ and RRR are likely to be created by the addition of BSO, which may change the ordering of GdBCO atomic bonds. Analysis from the Cu K-edge EXAFS spectroscopy showed an interesting thickness dependence of ordering behavior of BSO-added GdBCO films. It is noticeable that the ordering of Cu-O bond and the transition temperature are found to show opposite behaviors in the thickness dependence. Based on these results, the growth of BSO seemingly have evident effect on the alteration of the local structure of GdBCO film.

• 한국콘크리트학회:학술대회논문집
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• 한국콘크리트학회 2002년도 가을 학술발표회 논문집
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• pp.829-834
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• 2002

Recently, research and development for a number of repairing material like an epoxy-based material and polymer-cementitious material as well as anti-washout underwater concrete have been carried out. But, the study on tile materials for the concrete structure exposed to a wetted condition is at a standstill and there are not any suitable reference data at a repairing work for the concrete structure at a splash as well as a structure under severe moisture condition. In this study, the material, called as “ceramic metal”, with an excellent mobility and plasticity as well as with a high bond strength and durability of freezing-thawing resistant properties under any environmental conditions was developed. And, the experimental evaluations for the utility wert widely performed.

• Bulletin of the Korean Chemical Society
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• 제24권6호
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• pp.797-801
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• 2003

One of the largest challenges for quantum chemistry today is to obtain accurate results for large complex molecular systems, and a variety of approaches have been proposed recently toward this goal. We have developed the ONIOM method, an onion skin-like multi-level method, combining different levels of quantum chemical methods as well as molecular mechanics method. We have been applying the method to many different large systems, including thermochemistry, homogeneous catalysis, stereoselectivity in organic synthesis, solution chemistry, fullerenes and nanochemistry, and biomolecular systems. The method has recently been combined with the polarizable continuum model (ONIOM-PCM), and was also extended for molecular dynamics simulation of solution (ONIOM-XS). In the present article the recent progress in various applications of ONIOM and other electronic structure methods to problems of homogeneous catalyses and nanochemistry is reviewed. Topics include 1. bond energies in large molecular systems, 2. organometallic reactions and homogeneous catalysis, 3. structure, reactivity and bond energies of large organic molecules including fullerenes and nanotubes, and 4. biomolecular structure and enzymatic reaction mechanisms.