• Bulletin of the Korean Chemical Society
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• 제24권6호
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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.

• 대한수학회보
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• 제56권1호
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• pp.265-276
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• 2019

For a simple implementation, a linear convex splitting scheme was coupled with the Fourier spectral method for the Cahn-Hilliard equation with a logarithmic free energy. However, an inappropriate value of the splitting parameter of the linear scheme may lead to incorrect morphologies in the phase separation process. In order to overcome this problem, we present a nonlinear convex splitting Fourier spectral scheme for the Cahn-Hilliard equation with a logarithmic free energy, which is an appropriate extension of Eyre's idea of convex-concave decomposition of the energy functional. Using the nonlinear scheme, we derive a useful formula for the relation between the gradient energy coefficient and the thickness of the interfacial layer. And we present numerical simulations showing the different evolution of the solution using the linear and nonlinear schemes. The numerical results demonstrate that the nonlinear scheme is more accurate than the linear one.

• Structural Engineering and Mechanics
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• 제4권4호
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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.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2013년도 제44회 동계 정기학술대회 초록집
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• pp.239-239
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• 2013

The peak klystron power for the PAL (Pohang Accelerator Laboratory) XFEL (X-ray Free Electron Laser) is up to 80 MW which is higher than that of PLS-II LINAC. To prevent the RF breakdown such a high power operation, some of RF components need to be redesigned to reduce the surface electric field gradient to be less than the breakdown gradient at the vacuum-metal surface. For instances, the redesign of the Stanford Linear Accelerator Energy Doubler (SLED) system, the directional coupler and 3dB power splitter using the finite-difference time-domain (FDTD) simulation will be presented.

• 공업화학
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• 제34권4호
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• pp.365-382
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• 2023

A lithium metal anode with high energy density has the potential to revolutionize the field of energy storage systems (ESS) and electric vehicles (EVs) that utilize rechargeable lithium-based batteries. However, the formation of lithium dendrites during cycling reduces the performance of the battery while posing a significant safety risk. In this review, we discuss various strategies for achieving dendrite-free lithium metal anodes, including electrode surface modification, the use of electrolyte additives, and the implementation of protective layers. We analyze the advantages and limitations of each strategy, and provide a critical evaluation of the current state of the art. We also highlight the challenges and opportunities for further research and development in this field. This review aims to provide a comprehensive overview of the different approaches to achieving dendrite-free lithium metal anodes, and to guide future research toward the development of safer and more efficient lithium metal anodes.

• 폴리머
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• 제38권3호
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• pp.265-271
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• 2014

In order to investigate the characteristics of the gradient fluorinated polyacrylate and polyurethane latex blend films, the fluorinated polyacrylate emulsion and the polyurethane emulsion were synthesized, and then the both emulsions were blended at a series of ratios. The effects of content of the fluorinated polyacrylate on the gradient structure and surface property of the blended films were assessed by AFM, XPS, SEM-EDX and surface free energy measurements. It appeared that, while the content of the fluorinated polyacrylate latex was up to 30%, the fluorinated polyacrylate particles were selectively gathered on the film-air (F-A) and film-glass (F-G) interfaces at room temperature. When the content of the fluorinated polyacrylate was under 30%, the gradient structure of fluorinated component was not evident. The further increasing of fluorinated polyacrylate in the mixed system facilitated the formation and enlargement of gradient structure, but the adhesion of film decreased a little.

• Computers and Concrete
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• 제26권1호
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• pp.31-52
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• 2020

This paper investigates the size dependent effect on the vibration analysis of a porous nanocomposite viscoelastic plate reinforced by functionally graded-single walled carbon nanotubes (FG-SWCNTs) by considering nonlocal strain gradient theory. Therefore, using energy method and Hamilton's principle, the equations of motion are derived. In this article, the effects of nonlocal parameter, aspect ratio, strain gradient parameter, volume fraction of carbon nanotubes (CNTs), damping coefficient, porosity coefficient, and temperature change on the natural frequency are perused. The innovation of this paper is to compare the effectiveness of each mentioned parameters individually on the free vibrations of this plate and to represent the appropriate value for each parameter to achieve an ideal nanocomposite plate that minimizes vibration. The results are verified with those referenced in the paper. The results illustrate that the effect of damping coefficient on the increase of natural frequency is significantly higher than the other parameters effect, and the effects of the strain gradient parameter and nonlocal parameter on the natural frequency increase are less than damping coefficient effect, respectively. Furthermore, the results indicate that the natural frequency decreases with a rise in the nonlocal parameter, aspect ratio and temperature change. Also, the natural frequency increases with a rise in the strain gradient parameter and CNTs volume fraction. This study can be used for optimizing the industrial and medical designs, such as automotive industry, aerospace engineering and water purification system, by considering ideal properties for the nanocomposite plate.

• Nuclear Engineering and Technology
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• 제54권1호
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• pp.49-60
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• 2022

Motivated by the high-resolution properties of high-order Weighted Essentially Non-Oscillatory (WENO) and flux limiter (FL) for steep-gradient problems and the robust convergence of Jacobian-free Newton-Krylov (JFNK) methods for nonlinear systems, the preconditioned JFNK fully implicit high-order WENO and FL schemes are proposed to solve the transient two-phase two-fluid models. Specially, the second-order fully-implicit BDF2 is used for the temporal operator and then the third-order WENO schemes and various flux limiters can be adopted to discrete the spatial operator. For the sake of the generalization of the finite-difference-based preconditioning acceleration methods and the excellent convergence to solve the complicated and various operational conditions, the random vector instead of the initial condition is skillfully chosen as the solving variables to obtain better sparsity pattern or more positions of non-zero elements in this paper. Finally, the WENO_JFNK and FL_JFNK codes are developed and then the two-phase steep-gradient problem, phase appearance/disappearance problem, U-tube problem and linear advection problem are tested to analyze the convergence, computational cost and efficiency in detailed. Numerical results show that WENO_JFNK and FL_JFNK can significantly reduce numerical diffusion and obtain better solutions than traditional methods. WENO_JFNK gives more stable and accurate solutions than FL_JFNK for the test problems and the proposed finite-difference-based preconditioning acceleration methods based on the random vector can significantly improve the convergence speed and efficiency.

• 한국전기전자재료학회논문지
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• 제34권6호
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• pp.454-460
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• 2021

In this work, we synthesized alloy-core InZnP quantum dots, which are more efficient than single-core InP quantum dots, using a solution process method. The effect of synthesis conditions of alloy core on optical properties was investigated. We also investigated the conditions that make up the gradient shell to minimize defects caused by lattice mismatch between the InZnP core and ZnS is 7.7%. The stable synthesis temperature of the InZnP alloy core was 200℃. Quantum dots consisting of three layered ZnSe gradient shell and single layered ZnS exhibited the best optical property. The properties of quantum dots synthesized in 100 ml and in 2,000 ml flasks were almost equal.

• Journal of Biosystems Engineering
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• 제20권1호
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• pp.58-65
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• 1995

A numerical study for a two dimensional multi-jet with crossflow of the spent fluid has been carried out. Three different distributions of mass-flow rate at 5 jet exits were assumed to see their effects upon the flow characteristics, especially in the jet-flow region. For each distribution, various Reynolds numbers ranging from laminar to turbulent flows were considered. Calculations drew the following items as conclusion. 1) The development of the free jets issued from downstream jets was hindered by the crossflow formed due to jets. Consequently, the free jet was developed into the channel flow without any evident symptom of impingement jet flow characteristics 2) The crossflow induced the pressure gradient along the cross section of jet exits and the value of the pressure gradient increased as going downstream. The crossflow generated also the turbulent kinetic energy as it collied with the downstream jets. 3) The skin friction coefficient along the impingement plate was affected more by the distribution of mass flow rate at jet exits rather than by the Reynolds number. The skin friction coefficient was inversely proportional to the square root of the Reynolds number, regardless of flow regime when a fully developed flow was formed in the jet flow region. 4) The distribution of the skin friction coefficient along the impingement plate was found to be controlled by adjusting the distribution of mass flow rate at jet exits.