• Bulletin of the Korean Chemical Society
• /
• v.12 no.2
• /
• pp.143-148
• /
• 1991

In the unhydrated and hydrated states, conformational free energies of L-ascorbic acid anion (AAA) were computed with an empirical potential function and the hydration shell model (a program CONBIO). The conformational energy was minimized from possible starting conformations expressed with five torsion angles of the molecule. The conformational entropy of each low energy conformation in both states was computed using a harmonic approximation. As found in L-ascorbic acid (AA), intramolecular hydrogen bonds (HBs) are proved to be of significant importance in stabilizing the overall conformations of AAA in both states, and give the folded conformations, which are quite different from those in crystal. There are competitions between HBs and hydration around O3 atom of the lactone ring and hydroxyls of the acyclic side chain. Especially, the whole conformation of AAA is strongly dependent on the water-accessibility of O3 atom. Though there is a significant effect of the hydration on conformational surface, the lowest energy conformation of the unhydrated AAA is conserved. The different patterns of HBs and hydration result in the conformations of AAA in both states being different from those of AA. It can be drawn by several feasible conformations obtained in the hydrated state that there exists an ensemble of several conformations in aqueous solution.

• Journal of Urban Science
• /
• v.9 no.2
• /
• pp.45-50
• /
• 2020

The formation characteristics of calcium carbonates are closely related to the durability and mechanical properties of cement-based materials. In this regard, a deep understanding of the reaction pathway of calcium carbonates is critical. Recently, non-classical nucleation theory was summarized and it was presumed that prenucleation clusters are present. The formation of the prenucleation cluster at undersaturated condition (≈ 0.1 ml) in the present study was investigated via electrical characteristics of an electrolytic solution. Calcium chloride dihydrate (CaCl2·2H2O) and sodium carbonate (Na2CO3) were used as starting materials to supply calcium and carbonate sources, respectively. Furthermore, the reaction pathway of calcium carbonates was investigated by time-resolved polarization and depolarization characteristics of the electrolytic solution. The time-resolved polarization and depolarization tests were conducted by switching polarity with an interval of 20 seconds for 1 hr and by measuring the variation of electrical resistance. It can be inferred from the results obtained in the present study that the reactive constituent for the formation of calcium carbonates was mostly consumed in the period possibly associated with the prenucleation and the reaction pathways may be governed by the monomer-addition mechanism.

• Computers and Concrete
• /
• v.29 no.4
• /
• pp.247-253
• /
• 2022

In this study, the problem of discontinuous contact in two functionally graded (FG) layers resting on a rigid plane and loaded by two rigid blocks is solved by the finite element method (FEM). Separate analyzes are made for the cases where the top surfaces of the problem layers are metal, the bottom surfaces are ceramic and the top surfaces are ceramic and the bottom surfaces are metal. For the problem, it is accepted that all surfaces are frictionless. A two-dimensional FEM analysis of the problem is made by using a special macro added to the ANSYS package program The solution of this study, which has no analytical solution in the literature, is given with FEM. Analyzes are made by loading different Q and P loads on the blocks. The normal stress (σy) distributions at the interfaces of FG layers and between the substrate and the rigid plane interface are obtained. In addition, the starting and ending points of the separations between these surfaces are determined. The normal stresses (σx, σy) and shear stresses (τxy) at the point of separation are obtained along the depth. The results obtained are shown in graphics and tables. With this method, effective results are obtained in a very short time. In addition, analytically complex and long problems can be solved with this method.

• Proceedings of the Korean Society of Tribologists and Lubrication Engineers Conference
• /
• 1999.06a
• /
• pp.156-161
• /
• 1999

new bearing concept, the wave journal bearing, has been developed to improve the static and dynamic performances of an air-lubricated hydrodynamic journal bearing. This concept features waves on bearing surface. In this study, we present the solution of the compressible Reynolds equation valid for arbitrary Knudsen numbers. Straight wave journal bearing is investigated numerically. The performances of straight wave bearing are compared to the plain journal bearing over relatively wide range of bearing number and eccentricity. The wave journal bearing offers better stability than the plain journal bearing under a13 bearing numbers covered in this study. The bearing load and stability characteristics are dependent on the geometric parameters such as the amplitude and the starting point of the wave relative to the applied load. Under the condition of Knudsen number)0.01, we can not ignore the effect of slip for journal bearing.

• Proceedings of the Korea Institute of Applied Superconductivity and Cryogenics Conference
• /
• 2002.02a
• /
• pp.149-152
• /
• 2002

SrZrO3 resistive oxide barriers on Ag sheathed Bi2223 tapes prepared by the sol-gel and dip coating method were evaluated with an aid of Taguchi method and orthogonal arrays to elucidate the effects of experimental parameters, such as ratio of starting solution, amount of additives, and heat treatment temperature and time on the properties of the thin films. Six experimental parameters were selected and then Ll8(21x37) orthogonal arrays were constructed. Finally, SEM and XRD results were related to signal to noise (S/N) ratio to evaluate the optimized experimental condition.

• Journal of Magnetics
• /
• v.15 no.2
• /
• pp.74-77
• /
• 2010

This paper deals with optimum design criteria for maximum torque density & minimum torque ripple of a Flux Switching Motor (FSM) using response surface methodology (RSM) & finite element method (FEM). The focus of this paper is to find a design solution through the comparison of torque density and torque ripple which vary with rotor shape. And then, a central composite design (CCD) mixed resolution was introduced and analysis of variance (ANOVA) was conducted to determine the significance of the fitted regression model. The proposed procedure allows one to define the rotor dimensions, starting from an existing motor or a preliminary design.

• Journal of the Korean Ceramic Society
• /
• v.30 no.10
• /
• pp.838-844
• /
• 1993

To control the pore size of silcia gel, formamide (FA), N,N-dimethyl formamide (DMF), polyethylene glycol (PEG) and polyacrylic acid (PAA) were added in the sol-gel process from starting solution with tetramethyl orthosilicate (TMOS). The gels were characterized using porosimeter, TG-DTA and SEM. As a result, the more contents of FA and PAA was increased the more gelation time was decreased, also the more contents of DMF and PEG was increased the more gelling time was increased. The mean pore size of gels was larger in the order of PAA, DMF, FA and PEG. And the mean pore size of porous silica glass was 59.0$\AA$, 31.5$\AA$, 29.9$\AA$ and 29.0$\AA$, respectively, heated at 75$0^{\circ}C$/100$0^{\circ}C$.

• Journal of Electrical Engineering and Technology
• /
• v.6 no.6
• /
• pp.874-882
• /
• 2011

The decoupling design for the one-degree-of-freedom controller system is treated within the $H_{\infty}$ framework. In the present study, we demonstrate that the $H_{\infty}$ performance problem in the decoupling design is reduced into interpolation problems on scalar functions. To guarantee the properness of decoupling controllers and the overall transfer matrix, the relative degree conditions on the interpolating scalar functions are derived. To find the interpolating functions with relative degree constraints, Nevanlinna-Pick algorithm with starting function constraint is utilized in the present study. An illustrative example is given to provide details regarding the solution.

• Journal of applied mathematics & informatics
• /
• v.6 no.2
• /
• pp.369-378
• /
• 1999

In This study we examine the applicability of Newton's method and the modified Newton's method for a, pp.oximating a lo-cally unique solution of a nonlinear equation in a Banach space. We assume that the newton-Kantorovich hypothesis for Newton's method is violated but the corresponding condition for the modified Newton method holds. Under these conditions there is no guaran-tee that Newton's method starting from the same initial guess as the modified Newton's method converges. Hence it seems that we must always use the modified Newton method under these condi-tions. However we provide a numerical example to demonstrate that in practice this may not be a good decision.

• Smart Structures and Systems
• /
• v.14 no.5
• /
• pp.743-763
• /
• 2014

The paper presents an investigation of the nonlinear dynamical system of an electrostatically actuated micro-cantilever by the incremental harmonic balance (IHB) method. An efficient approach is proposed to tackle the difficulty in expanding the nonlinear terms into truncated Fourier series. With the help of this approach, periodic and multi-periodic solutions are obtained by the IHB method. Numerical examples show that the IHB solutions, provided as many as harmonics are taken into account, are in excellent agreement with numerical results. In addition, an iterative algorithm is suggested to accurately determine period doubling bifurcation points. The route to chaos via period doublings starting from the period-1 or period-3 solution are analyzed according to the Floquet and the Feigenbaum theories.