• Bulletin of the Korean Chemical Society
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• 제31권4호
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• pp.850-858
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• 2010

The electronic absorption spectra of five Schiff bases derived from 2-hydroxy-1-naphthaldehyde with glycine, alanine, leucine, valine and phenylalanine have been measured in various solvents. The observed bands were assigned to the proper electronic transitions and compared with the predicted transitions at the semiempirical level of theory. The calculated equilibrium constants are in agreement with the experimental results, predicting the existence of all studied compounds predominantly or completely in keto-imine tautomerism. On the other hand, a correlation between $\nu\;(cm^{-1})$ (main frequency of each compound) and the well known solvent parameters $E_T$ (30), $\varepsilon_T$, $\pi^*$ been made. Furthermore, the acid dissociation constants, $pK_a$, were determined by using three different spectrophotometric methods.

• Steel and Composite Structures
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• 제27권4호
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• pp.401-416
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• 2018

Composite beams with web openings are vulnerable to Vierendeel bending failure. The available methods provide quite conservative estimates of Vierendeel bending resistance. An alternative design method to compute the resistance was proposed in this study, based on quadratic nonlinear interactions of normalized shear force, axial force and Vierendeel bending moment. The interactions of the top and bottom Tee section must satisfy mutual conditions to prevent the Vierendeel failure. The normalized shear force and Vierendeel bending moment of the composite part were used instead in the top Tee interaction. The top Tee axial force was computed based on force equilibrium. Based on a rigid-plastic model, the composite resistance is estimated using an effective slab width of the vertical shear resistance. On using the proposed method, nonlinear reductions due to shear loads and axial forces are not required, in contrast to prior methods. The proposed method was validated against experiments from literature. The method limitations and accuracy as well as the Vierendeel behavior were investigated by finite element simulations, with varied composite beam parameters. The proposed design loads are less conservative than earlier estimates and deviate less from the simulations.

• Steel and Composite Structures
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• 제20권2호
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• pp.413-429
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• 2016

A theoretical method to predict the interfacial stresses in the adhesive layer of reinforced concrete beams strengthened with externally bonded carbon fiber-reinforced polymer (CFRP) plate is presented. The analysis provides efficient calculations for both shear and normal interfacial stresses in reinforced concrete beams strengthened with composite plates, and accounts for various effects of Poisson's ratio and Young's modulus of adhesive. Such interfacial stresses play a fundamental role in the mechanics of plated beams, because they can produce a sudden and premature failure. The analysis is based on equilibrium and deformations compatibility approach developed by Tounsi. In the present theoretical analysis, the adherend shear deformations are taken into account by assuming a parabolic shear stress through the thickness of both the reinforced concrete beam and bonded plate. The paper is concluded with a summary and recommendations for the design of the strengthened beam.

• 한국분말야금학회:학술대회논문집
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• 한국분말야금학회 2006년도 Extended Abstracts of 2006 POWDER METALLURGY World Congress Part 1
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• pp.338-339
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• 2006

The solubility of Cr in cubic carbides in the systems WC-Co-TaC and WC-Co-ZrC has been determined using equilibrium samples. Thermodynamic calculations were used to design the alloys through extrapolations of Gibbs energy expressions. The alloys were designed to have a microstructure containing the following phases: WC, liquid, $M_7C_3$, graphite and cubic carbide. The alloys were investigated using scanning electron microscopy and analyzed using energy-dispersive X-ray spectrometry. The present work shows how the Cr solubility depends on which cubic carbide former that is present. The WC-Co-Cr-Zr alloy has no detectable amount of Cr whereas the WC-Co-Cr-Ta alloy has 12% Cr in the cubic carbide.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2009년도 제38회 동계학술대회 초록집
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• pp.76-76
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• 2010

Using ab initio density functional calculations, we investigate the structural and electronic properties of porous schwarzite structures formed by $sp^2$ carbon minimal surfaces with negative Gaussian curvature. We calculate the equilibrium geometries, elastic properties and electronic structure of two systems with cubic unit cells containing 152 and 200 carbon atoms, which are metallic and very rigid. The porous schwarzite structure can be efficiently doped by electron donors as well as accepors, making it a promising candidate for the next generation of alkali ion batteries. Furthermore, the schwarzite structures can be magnetic when doped and thus act as arrays of interconnected quantum spin dots. We also propose that two interpenetrating schwarzite structures be used as a ultimate super-capacitor.

• Bulletin of the Korean Chemical Society
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• 제8권2호
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• pp.122-126
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• 1987

Oribtal energies for AuH and AgH are calculated by an all-electron relativistic self-consistent-field method using Slater type basis functions. Major relativistic effects for AgH are spin-orbit splittings and those for AuH are large shifts in orbital energies in addition to spin-orbit splittings. Relativistic effects on orbital energies in AgH and AuH imply that changes in correlation energies for relativistic calculations of AuH will be significantly larger than those of AgH, providing partial explanation for the large discrepencies in equilibrium bond length and the dissociation energy between experiments and theoretical estimates for AuH. Large relativistic effects on orbital energies indicate that relativistic contributions should be included for the correct interpretation of ionization potentials for these molecules. Relativistic effects are also evident in dipole moments for these molecules.

• Bulletin of the Korean Chemical Society
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• 제11권3호
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• pp.194-200
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• 1990

Various mechanistic aspects of the A2 hydrolysis of methyl acetimidate were explored using the MNDO method. As in thecorresponding reactions of acetamide and methyl carbamate, a proton transfer pre-equilibrium exists between the N-protonated and the O-protonated tautomers, and the subsequent hydrolysis proceeds from the more stable N-protonated form. Of the two reaction pathways, the $A_{AL}2$ path is favored in the gas phase and in concentrated acid solutions, whereas the $A_{AC}2$ path is favored in less acidic solutions with a stable cationic tetrahedral intermediate formed in the rate determining step. Negative charge development on the alkoxy oxygen in the transition state suggested a rate increase with the increase in the electron withdrawing power of the alkoxy group. Calculations on the reaction processes with AM1 indicated that MNDO is more reliable in this type of work, although AM1 is better than MNDO in reproducing hydrogen bonds.

• 한국추진공학회:학술대회논문집
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• 한국추진공학회 2004년도 제22회 춘계학술대회논문집
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• pp.155-164
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• 2004

In order for studying pressure-coupled dynamic responses of droplet vaporization, open-loop experiment of an isolated droplet vaporization exposed to pressure perturbations in stagnant gaseous environment is numerically conducted, Governing equations are solved for flow parameters at gas and liquid phases separately and thermodynamic parameters at the interfacial boundary are matched for problem closure. For high-pressure effects, vapor-liquid interfacial thermodynamics is rigorously treated. A series of parametric calculations in terms of mean pressure level and wave frequencies are carried out employing a n-pentane droplet in stagnant gaseous nitrogen. Results show that wave instability in view of pressure-coupled vaporization response seems more susceptible at higher pressures and higher wave frequencies. Mass evaporation rate responding to pressure waves is amplified with increase in pressure due to substantial reduction in latent heat of vaporization. Augmentation of perturbation frequency also enhances amplification due to the reduction of phase differences between pressure perturbation and surface temperature fluctuation.

• Steel and Composite Structures
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• 제46권6호
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• pp.759-772
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• 2023

This manuscript presents a comprehensive mathematical model to investigate buckling stability and postbuckling response of bio-inspired composite beams with helicoidal orientations. The higher order shear deformation theory as well as the Timoshenko beam theories are exploited to include the shear influence. The equilibrium nonlinear integro-differential equations of helicoidal composite beams are derived in detail using the energy conservation principle. Differential integral quadrature method (DIQM) is employed to discretize the nonlinear system of differential equations and solve them via the Newton iterative method then obtain the response of helicoidal composite beam. Numerical calculations are carried out to check the validity of the present solution methodology and to quantify the effects of helicoidal rotation angle, elastic foundation constants, beam theories, geometric and material properties on buckling, postbuckling of bio-inspired helicoidal composite beams. The developed model can be employed in design and analysis of curved helicoidal composite beam used in aerospace and naval structures.

• 대한수학교육학회지:수학교육학연구
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• 제24권3호
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• pp.333-357
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• 2014

본 연구에서 제시하는 무게중심 확인실험 프로그램개발은 2013년 '동국대학교 과학영재교육원'에서 융합형 영재프로그램으로 개발되어 초등 영재학생 10개 집단 120명과 중등수학영재학생 24명을 대상으로 진행되었다. 무게중심 확인실험은 한국 과학창의재단에서 제시하는 융합형인재교육(STEAM) 학습준거 틀에서 수행된 3단계 과정을 이행하여 창의적 융합교육의 효과를 극대화하였다. 본 연구가 갖는 3가지 특징은 다음과 같다. 첫째, 연구에서 새롭게 개발된 무게중심 확인실험은 수학과 물리가 융합된 교육방식이다. 둘째, 실험에 사용되는 모형은 학생들의 능동적 활동으로 창의적인 모형 설계가 가능하다. 셋째, 무게중심 확인실험 프로그램은 학습 능력에 따라 수준별 수업으로서 전환이 가능하다. 위에서 제시한 특성들을 바탕으로 무게중심 확인실험을 통하여 창의적 융합교육의 효과를 극대화시킨다. 설문조사 결과는 주어진 지식을 단순 암기하는 학습에서 벗어나 실험에 필요한 배경지식 이해, 실험 설계, 실험 과정, 실험 결과의 단계를 거쳐 학습된다. 설문조사와 학생들의 실험 후 토의 결과, 현재 수학 또는 과학 교육과정이 제시하는 무게중심 학습과 비교하여, 새롭게 개발된 융합형 프로그램이 교육의 효과가 뛰어남을 보여 준다. 본 연구는 수학이 다른 교과영역과 융합되는 새로운 융합형 교육방식을 제시한다. 특히 무게중심을 찾고 이를 확인하는 새로운 형태를 제시한다. 결론적으로 교수자와 학습자가 모두 만족할 수 있는 새로운 무게중심 교육의 틀을 제시한다.