• 한국자기학회지
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• 제25권4호
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• pp.101-105
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• 2015

희토류 금속이나 4d/5d 전이금속을 포함하지 않은 3d 전이금속 Fe와 Ni 원소만을 적절하게 배열해도 강한 수직 자기이방성을 가질 수 있음을 예측한 이론 계산 결과가 최근 보고된 바 있다. 그 계산에서는 Fe 층을 표면으로 하는 계만을 고려하였는데 본 논문에서는 Ni가 표면일 때의 자기이방성 에너지를 제일원리계산 방법으로 계산하여 자기이방성을 조절할 수 있는 방안이 있을 수 있는지를 알아 보았다. Fe(001) 표면에 Ni 원소 한 층이 덮였을 때[Ni/Fe(001)]의 자성과 자기이방성을 제일원리계산 방법으로 VASP과 FLAPW 방법을 상호 보완적으로 사용하면서 계산 결과를 비교해 보았다. VASP에 의한 결과는 FLAPW 방법으로 얻은 결과와 큰 차이가 없었고, Fe와 Ni의 강한 띠 혼합으로 Fe와 Ni의 자기모멘트가 모두 증가하였으며 Ni/Fe(001)은 수평 자기이방성을 가지는 것으로 계산되었다. 원자 별 자기이방성 기여도 계산에 의하면 자기이방성에 결정적인 역할을 하는 것은 Ni표면 층임을 알 수 있었다.

• Nuclear Engineering and Technology
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• 제42권3호
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• pp.271-278
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• 2010

While the deterministic lattice physics/depletion codes use leakage-corrected critical spectrum (although approximate due to the B1 buckling search employed), Monte Carlo depletion codes currently in use do not have such a feature in spite of their heterogeneity and continuous-energy modeling capability. This paper describes an approach to Monte Carlo depletion with leakage-corrected critical spectrum derived from first principles. This is based on the concept of albedo eigenvalue treated as weight of the reflected neutron in Monte Carlo simulation.

• International Journal of Aeronautical and Space Sciences
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• 제16권4호
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• pp.614-623
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• 2015

When the speed of a coaxial rotor helicopter in forward flight increases, the wake skew angle of the rotor increases and consequently the position of the vena contracta of the upper rotor with respect to the lower rotor changes. Considering ambient air and the effect of the upper rotor, this study proposes a nonuniform inflow model for the lower rotor of a coaxial rotor helicopter in forward flight. The total required power of the coaxial rotor system was compared against Dingeldein's experimental data, and the results of the proposed model were well matched. A plant model was also developed from first principles for flight simulation, unknown parameter estimation and control analysis. The coaxial rotor helicopter used for this study was manufactured for surveillance and reconnaissance and does not have any stabilizer bar. Therefore, a feedback controller was included during flight test and parameter estimation to overcome unstable situations. Predicted responses of parameter estimation and validation show good agreement with experimental data. Therefore, the methodology described in this paper can be used to develop numerical plant model, study non-uniform inflow model, conduct performance analysis and parameter estimation of coaxial rotor as well as other rotorcrafts in forward flight.

• Nuclear Engineering and Technology
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• 제51권5호
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• pp.1373-1380
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• 2019

Besides promising implications as fertile nuclear materials, thorium carbonitrides are of great interest owing to their peculiar physical and chemical properties, such as high density, high melting point, good thermal conductivity. This paper reports first-principles simulation results on the structural, electronic and magnetic properties of cubic thorium carbonitrides $ThC_xN_{(1-x)}$ (X = 0.03125, 0.0625, 0.09375, 0.125, 0.15625) employing formalism of density-functional-theory. For the simulation of physical properties, we incorporated full-potential linearized augmented plane-wave (FPLAPW) method while the exchange-correlation potential terms in Kohn-Sham Equation (KSE) are treated within Generalized-Gradient-Approximation (GGA) in conjunction with Perdew-Bruke-Ernzerhof (PBE) correction. The structural parameters were calculated by fitting total energy into the Murnaghan's equation of state. The lattice constants, bulk moduli, total energy, electronic band structure and spin magnetic moments of the compounds show dependence on the C/N concentration ratio. The electronic and magnetic properties have revealed non-magnetic but metallic character of the compounds. The main contribution to density of states at the Fermi level stems from the comparable spectral intensity of Th (6d+5f) and (C+N) 2p states. In comparison with spin magnetic moments of ThSb and ThBi calculated earlier with LDA+U approach, we observed an enhancement in the spin magnetic moments after carbon-doping into ThN monopnictide.

• 한국실내디자인학회논문집
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• 제23권6호
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• pp.150-159
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• 2014

Recently, violent crimes against the socially disadvantaged have become more frequent and became serious social issues. In addition, compared to the past, the crime methods have become more diverse and intricate, which results in larger damages. For those reasons, the public are increasingly concerned about crimes and it is detrimental to the quality of life in general. Currently, safety in alleys and other residential spaces is protected only by mechanical and managerial functions such as CCTV and police patrol. Safe environment from crimes can be achieved only if there are environmental and spatial plans such as CPTED (Crime Prevention through Environmental Design) principles. The purpose of this study is to propose a direction for spatial planning that can prevent crimes through environmental elements, by researching the spatial planning and current status of alleys and residential spaces from the viewpoint of CPTED. To do so, first, a review checklist was created based on five principles of CPTED and field surveys were conducted on the northern districts of Busan with high crime rates. Second, the problems were analyzed through the field surveys and checklist was classified based on five principles of CPTED to propose improvements for each item. Also, a computer graphic simulation was used to suggest a design proposal. We expect that the application of the basic environmental design principles and guidelines for CPTED will have the effect of creating crime-free and safe spaces in alleys and residential environment.

• Journal of Electrochemical Science and Technology
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• 제6권4호
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• pp.146-151
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• 2015

Here I report an electrochemical simulation work that compares voltammetric current and resistance of a complex electrochemical reaction over a potential scan. For this work, the finite element method is employed which are frequently used for voltammetry but rarely for impedance spectroscopy. Specifically, this method is used for simulation of a complex reaction where a heterogeneous faradaic reaction is followed by a homogeneous chemical reaction. By tracing the current and its polarization resistance, I learn that their relationship can be explained in terms of rate constants of charge transfer and chemical change. An unexpected observation is that even though the resistance is increased by the rate of the following chemical reaction, the current can be increased due to the potential shift of the resistance made by the proceeding faradaic reaction. This report envisions a possibility of the FEM-based resistance simulation to be applied to understand a complex electrochemical reaction. Until now, resistance simulations are mostly based on equivalent circuits or complete mathematical equations and have limitations to find proper models. However, this method is based on the first-principles, and is expected to be complementary to the other simulation methods.

• Smart Structures and Systems
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• 제14권4호
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• pp.643-658
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• 2014

This paper presents the design, modelling and, simulation and experimental results of a shape memory alloy (SMA) actuator based critical motion control application. Dynamic performance of SMA and its ability in replacing servo motor is studied for which the famous open loop unstable balancing ball and beam system direct driven by antagonistic SMA is designed and developed. Simulation uses the mathematical model of ball and beam structure derived from the first principles and model estimated for the SMA actuator by system identification. A PID based cascade control system consisting of two loops is designed and control of ball trajectory for various target positions with settling time as control parameter is verified experimentally. The results demonstrate the performance of SMA for a complicated i.e., under actuated, highly nonlinear unstable system, and thereby it's dynamic behaviour. Control strategies bring out the effectiveness of the actuator and its possible application to much more complex applications such as in aerospace control and robotics.

• 제어로봇시스템학회:학술대회논문집
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• 제어로봇시스템학회 1999년도 제14차 학술회의논문집
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• pp.49-52
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• 1999

A subspace-based identification method of the Wiener model, consisting of a state-space linear block and a polynomial static nonlinearity at the output, is used to retrieve from discrete sample data the accurate information about the nonlinear dynamics. Wiener model may be incorporated into model predictive control (MPC) schemes in a unique way which effectively removes the nonlinearity from the control problem, preserving many of the favorable properties of linear MPC. The control performance is evaluated with simulation studies where the original first-principles model for a continuous MMA polymerization reactor is used as the true process while the identified Wiener model is used for the control purpose. On the basis of the simulation results, it is demonstrated that, despite the existence of unmeasured disturbance, the controller performed quite satisfactorily for the control of polymer qualities with constraints.

• Nuclear Engineering and Technology
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• 제41권1호
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• pp.21-38
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• 2009

The use of multi scale modeling concepts and simulation techniques to study the destabilization of an ultrathin layer of oxide interface between a metal substrate and the surrounding environment is considered. Of particular interest are chemo-mechanical behavior of this interface in the context of a molecular-level description of stress corrosion cracking. Motivated by our previous molecular dynamics simulations of unit processes in materials strength and toughness, we examine the challenges of dealing with chemical reactivity on an equal footing with mechanical deformation, (a) understanding electron transfer processes using first-principles methods, (b) modeling cation transport and associated charged defect migration kinetics, and (c) simulation of pit nucleation and intergranular deformation to initiate the breakdown of the oxide interlayer. These problems illustrate a level of multi-scale complexity that would be practically impossible to attack by other means; they also point to a perspective framework that could guide future research in the broad computational science community.

• Structural Engineering and Mechanics
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• 제65권6호
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• pp.751-760
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• 2018

Damages in concrete structures due to aging and other factors could be a serious and immense matter. Making the best selection of the most viable and practical repairing and strengthening techniques are relatively difficult tasks using traditional methods of structural analyses. This is due to the fact that the traditional methods used for assessing aging structure are not fully capable when considering the randomness in strength, loads and cost. This paper presents a reliability-based methodology for assessing reinforced concrete members. The methodology of this study is based on probabilistic analysis, using statistics of the random variables in the performance function equations. Principles of reliability updating are used in the assessment process, as new information is taken into account and combined with prior probabilistic models. The methodology can result in a reliability index ${\beta}$ that can be used to assess the structural component by comparing its value with a standard value. In addition, these methods result in partial safety factor values that can be used for the purpose of strengthening the R/C elements of the existing structure. Calculations and computations of the reliability indices and the partial safety factors values are conducted using the First-order Reliability Method and Monte Carlo simulation.