• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.805-808
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• 2003

Fundamental ideas of the free energy gradient method are briefly reviewed with three applications: the stable structures of glycine and ammonia-water molecule pair in aqueous solution and the transition state (TS) structure of a Menshutkin reaction $NH_3 + CH_3Cl → CH_3NH_3^+ + Cl^-$ in aqueous solution, which is the first example of full TS optimization of all internal degrees of freedom.

• Bulletin of the Korean Mathematical Society
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• v.54 no.1
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• pp.145-158
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• 2017

We present a finite difference method for solving the Ohta-Kawasaki model, representing a model of mesoscopic phase separation for the block copolymer. The numerical methods for solving the Ohta-Kawasaki model need to inherit the mass conservation and energy dissipation properties. We prove these characteristic properties and solvability and unconditionally gradient stability of the scheme by using Hessian matrices of a discrete functional. We present numerical results that validate the mass conservation, and energy dissipation, and unconditional stability of the method.

• Proceedings of the Korean Institute of Intelligent Systems Conference
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• 2001.12a
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• pp.283-286
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• 2001

Based on a fuzzy system representation of gray scale images, we derive an edge detection algorithm whose convolution kernel is different from the known kernels such as those of Roberts', Prewitt's or Sobel's gradient. Our fuzzy system representation is an exact representation of the bicubic spline function which represents the gray scale image approximately. Hence the fuzzy system is a continuous function and it provides a natural way to define the gradient and the Laplacian operator. We show that the gradient at grid points can be evaluated by taking the convolution of the image with a 3 3 kernel. We also show that our gradient coupled with the approximate value of the continuous function generates an edge detection method which creates edge images clearer than those by other methods. A few examples of applying our methods are included.

• Journal of Industrial and Engineering Chemistry
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• v.68
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• pp.355-363
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• 2018

There are serious issues with the application of surfactant flooding as a third recovery method, such as surfactant slug losses. In this study,the impact of the salinity gradient on the remobilization of oiltrapped in Berea sandstone was investigated by emphasizing the surfactant adsorption gradient and phase behavior to determine the optimal salinity of the chosen surfactant concentration for investigating the salinity gradient. Three salinity-gradient schemes were applied to six cores saturated with light and heavy oils. The positive salinity gradient provided the best recovery results with an in situ microemulsion formation that could be observed in the fluid collector.

• Nuclear Engineering and Technology
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• v.42 no.4
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• pp.442-449
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• 2010

Recently, the neutron irradiation for large diameter silicon (Si)-ingots of more than 8" diameter is requested to satisfy the demand for the neutron transmutation doping silicon (NTD-Si). By increasing the Si-ingot diameter, the radial non-uniformity becomes larger due to the neutron attenuation effect, which results in a limit of the feasible diameter of the Si-ingot. The current evaluation method has a certain limit to precisely evaluate the radial uniformity of Si-ingot because the current evaluation method does not consider the effect of the Si-ingot diameter on the radial uniformity. The objective of this study is to propose a new evaluation method of radial uniformity by improving the conventional evaluation approach. To precisely predict the radial uniformity of a Si-ingot with large diameter, numerical verification is conducted through comparison with the measured data and introducing the new evaluation method. A new concept of a gradient is introduced as an alternative approach of radial uniformity evaluation instead of the radial resistivity gradient (RRG) interpretation. Using the new concept of gradient, the normalized reaction rate gradient (NRG) and the surface normalized reaction rate gradient (SNRG) are described. By introducing NRG, the radial uniformity can be evaluated with one certain standard regardless of the ingot diameter and irradiation condition. Furthermore, by introducing SNRG, the uniformity on the Si-ingot surface, which is ignored by RRG and NRG, can be evaluated successfully. Finally, the radial uniformity flattening methods are installed by the stainless steel thermal neutron filter and additional Si-pipe to reduce SNRG.

• Journal of the Korean Ceramic Society
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• v.56 no.6
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• pp.589-595
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• 2019

The top-seeded solution growth (TSSG) method is an effective approach for the growth of high-quality SiC single crystals. In this method, the temperature gradient in the melt is the key factor determining the crystal growth rate and crystal quality. In this study, the effects of the aperture at the top of the hot-zone on the growth of the SiC single crystal obtained using the TSSG method were evaluated using multiphysics simulations. The temperature distribution and C concentration profile in the Si melt were taken into consideration. The simulation results showed that the adjustment of the aperture at the top of the hot-zone and the temperature gradient in the melt could be finely controlled. The surface morphology, crystal quality, and polytype stability of the grown SiC crystals were investigated using optical microscopy, high-resolution X-ray diffraction, and micro-Raman spectroscopy, respectively. The simulation and experimental results suggested that a small temperature gradient at the crystal-melt interface is suitable for growing high-quality SiC single crystals via the TSSG method.

• Journal of IKEEE
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• v.23 no.3
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• pp.793-799
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• 2019

In this study, the diffusion process and the thermal energy distribution gradient of the sensor were confirmed by using the finite element analysis program (COMSOL) of the mesh method to analyze the thermal diffusion in the wearable fabric (Nylon) + MWCNT gas sensor. To analyze the diffusion process of thermal energy, the structure of the gas sensor was modeled in a two dimension plane. The proposed modeling was presented with the characteristic value for the component of the sensor, and the gas sensor designed using the mesh finite element method (FEM) was proposed and analyzed by suggesting the one-way partial differential equation in the governing equation to know the degree of thermal energy diffusion and the thermal energy gradient. In addition, the temperature gradient 10[K/mm] of the anode-cathode electrode layer and the gas detection unit was investigated by suggesting the heat velocity transfer equation.

• Advances in nano research
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• v.14 no.2
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• pp.141-154
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• 2023

Effects of viscoelastic foundation on vibration of curved-beam structure with clamped and simply-supported boundary conditions is investigated in this study. In doing so, a micro-scale laminate composite beam with two piezoelectric face layer with a carbon nanotube reinforces composite core is considered. The whole beam structure is laid on a viscoelastic substrate which normally occurred in actual conditions. Due to small scale of the structure non-classical elasticity theory provided more accurate results. Therefore, nonlocal strain gradient theory is employed here to capture both nano-scale effects on carbon nanotubes and microscale effects because of overall scale of the structure. Equivalent homogenous properties of the composite core is obtained using Halpin-Tsai equation. The equations of motion is derived considering energy terms of the beam and variational principle in minimizing total energy. The boundary condition is assumed to be clamped at one end and simply supported at the other end. Due to nonlinear terms in the equations of motion, semi-analytical method of general differential quadrature method is engaged to solve the equations. In addition, due to complexity in developing and solving equations of motion of arches, an artificial neural network is design and implemented to capture effects of different parameters on the inplane vibration of sandwich arches. At the end, effects of several parameters including nonlocal and gradient parameters, geometrical aspect ratios and substrate constants of the structure on the natural frequency and amplitude is derived. It is observed that increasing nonlocal and gradient parameters have contradictory effects of the amplitude and frequency of vibration of the laminate beam.

• Structural Engineering and Mechanics
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• v.4 no.4
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• pp.383-396
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• 1996

In this paper, the behavior of plates partially restrained against rotation under stress gradient is investigated. As a first stage, an energy formulation is presented to model this boundary condition and a general expression is derived for the prediction of the elastic buckling of the plate under this general loading condition. The accuracy of the derived expression is compared numerically using the Galerkin method with other available data for the two limiting conditions of rotationally free and clamped boundaries. Results show that the prediction is within a 5% difference. The influence of rotational restraint and stress gradient upon the buckling load and the associated buckling mode is investigated. Numerical results show sensitivity of the buckling mode to the degree of rotational restraint and the variation of the buckling load with the stress gradient.

• Journal of Fisheries and Marine Sciences Education
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• v.20 no.2
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• pp.156-167
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• 2008

Meorological data have been collected to monitor the wetland area in Goheung bay since 2003 and four intensive observations were conducted to study effects of the atmospheric turbulence on the energy budget and the ecological changes. We improved an algorithm to estimate the sensible heat flux with routine data. The sensible heat flux estimated by gradient method was in good agreement with that measured by precision instruments such as surface layer scintillometer and ultrasonic anemometer. Diurnal variations of sensible heat flux showed analogous tendency to those of temperature gradient. When the vertical wind shear of horizontal wind components was weak, even though temperature gradient was strong, the gradient method underestimated the sensible heat flux. A compensation for the cloud will make this gradient method be a helpful tool to monitor the ecosystem without expensive instruments except for weak wind shear and temperature gradient.