• Bulletin of the Korean Chemical Society
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• v.34 no.8
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• pp.2276-2280
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• 2013

The accurate prediction of vertical excitation energies is very important for the development of new materials in the dye and pigment industry. A time-dependent density functional theory (TD-DFT) approach coupled with 22 different exchange-correlation functionals was used for the prediction of vertical excitation energies in the halogenated copper phthalocyanine molecules in order to find the most appropriate functional and to determine the accuracy of the prediction of the absorption wavelength and observed spectral shifts. Among the tested functional, B3LYP functional provides much more accurate vertical excitation energies and UV-vis spectra. Our results clearly provide a benchmark calibration of the TD-DFT method for phthalocyanine based dyes and pigments used in industry.

• Proceedings of the KIEE Conference
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• 2003.07d
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• pp.2678-2680
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• 2003

본 논문에서는 sliding-DFT의 순환구현을 기반한 실시간 위상 측정 앨고리즘을 제시하였다. 종래의 순환형 SDFT 기반 위상 측정 기법은 단일 계수를 사용하기 때문에 계수 근사가 적용되는 하드웨어 구현시 심각한 오차 파급 특성을 나타낸다. 본 논문에서는 순환 구조이면서 회전 위상을 보정을 통해 N-point DFT의 N개의 모든 계수를 적용한 위상 측정 기법을 제시하였고, FPGA 등 하드웨어 구현에 있어서 계수의 유한 비트 근사에 따르는 성능 열화를 해석하였다. 제안한 위상측정 앨고리즘은 실시간 다채널 위상 측정이 가능하도록 FPGA에 구현하였고 동작을 확인하였다.

• Journal of Broadcast Engineering
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• v.16 no.5
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• pp.782-792
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• 2011

In this paper, we address a new fast DCT-II/DFT/HWT hybrid transform architecture for digital video and fusion mobile handsets based on Jacket-like sparse matrix decomposition. This fast hybrid architecture is consist of source coding standard as MPEG-4, JPEG 2000 and digital filtering discrete Fourier transform, and has two operations: one is block-wise inverse Jacket matrix (BIJM) for DCT-II, and the other is element-wise inverse Jacket matrix (EIJM) for DFT/HWT. They have similar recursive computational fashion, which mean all of them can be decomposed to Kronecker products of an identity Hadamard matrix and a successively lower order sparse matrix. Based on this trait, we can develop a single chip of fast hybrid algorithm architecture for intelligent mobile handsets.

• The Transactions of the Korean Institute of Electrical Engineers P
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• v.57 no.2
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• pp.91-95
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• 2008

The large AC generator fault may lead to large impacts or perturbations in power system. The generator protection control systems in Korea have been imported and operated through a turn-key from overseas entirely. Therefore a study of the generator protection field has in urgent need for a stable operation of the imported goods. In present, the algorithm using the current ratio differential relaying based DFT for stator winding protection or a fault detection had been applied that of internal fault protection of a generator. the DFT used for the analysis of transient state signal conventionally had defects losing a time information in the course of transforming a target signal to frequency domain. In this paper, the discrete wavelet transform (DWT) was applied a fault detection of the generator being superior to a transient state signal analysis and being easy to real time realization. The fault signals after executing a terminal fault modeling collect using a MATLAB package, and calculate the wavelet coefficients through the process of a muiti-level decomposition (MLD). The proposed algorithm for a fault detection using the Daubechies WT (wavelet transform) was executed with a C language and the commend line function for the real time realization after analyzing MATLAB's graphical interface. The advanced technique had improved faster a speed of fault discrimination than a conventional DFR based on DFT.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.14 no.5
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• pp.1078-1084
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• 2010

This paper presents a speech enhancement system which restores the amplitude components and phase components by discrete Fourier transform (DFT), using neural network training by back-propagation algorithm. First, a neural network is trained using DFT amplitude components and phase components of noisy speech signal, then the proposed system enhances speech signals that are degraded by white noise using a neural network. Experimental results demonstrate that speech signals degraded by white noise are enhanced by the proposed system using the neural network, whose inputs are DFT amplitude components and phase components. Based on measuring spectral distortion measurement, experiments confirm that the proposed system is effective for white noise.

• Korean Journal of Materials Research
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• v.33 no.6
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• pp.236-241
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• 2023

Solar cells based on p-conjugated donor-acceptor (D-A) organic molecular systems are a promising alternative to conventional electrical energy generation. D-A molecular systems, which have a triphenylamine (TPA) moiety linked with a benzothiadiazole (BTD) moiety, open the potential development of new small molecule donors for bulk heterojunction (BHJ) solar cells. Here, a series of donor-acceptor-π-acceptor (D-A-π-A) small molecule donors (SMD) derived from triphenylamine (TPA) donor and benzothiadiazole (BTD) acceptor building blocks, were designed for BHJ organic solar cells. The small molecule donors SMD1-4 were studied using density functional theory (DFT) and time dependent-DFT (TDDFT) methods, to understand the effect of cyano and fluorine group functionalization on their properties. The effect of structure alteration by cyano and fluorine group functionalization on the optoelectronic properties, the calculated highest occupied molecular orbitals (HOMOs) and lowest unoccupied molecular orbitals (LUMOs) and the HOMO-LUMO gaps were theoretically explored. The V_oc (open-circuit photovoltage) and fill factor (FF) for SMD1-4 were obtained with a PC₇₁BM acceptor, which showed that these organic small molecules are potential small molecule donors for organic bulk heterojunction solar cells.

• Journal of the Korean Ceramic Society
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• v.53 no.2
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• pp.184-193
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• 2016

This review deals with computational treatments of subatomic levels of matter based on density functional theory (DFT), and tries to identify several current trends, which are largely consequences of the ever-increasing power of computers, which has substantially extended the performance of conventional DFT beyond its original scope. This review mainly focuses on the conceptual outline, rather than on lines of equations, highlighting several examples of calculations for each topic. It should be noted that these issues are hardly new to leading groups in the field, but certainly are for materials people in general. It should also be noted that the on-going efforts will continue and lead to a larger system size, a longer time scale, a higher accuracy, and a better efficiency of calculation for years to come.

• The Transactions of the Korean Institute of Electrical Engineers P
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• v.57 no.4
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• pp.377-382
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• 2008

For stator winding protection of AC generator, KCL(Kirchhoff's Current Law) is widely applied. Actually a CRDR(Current Ratio Differential Relay) based on DFT(Discrete Fourier Transform) has been used for protecting generator. It has been pointed out that defects can occur during the process of transforming a time domain signal into a frequency domain one which can lead to loss of time domain information. Wavelets techniques are proposed for the analysis of power system transients. This paper introduces an algorithm to choose a suitable Mother Wave1et for generator stator fault detection. For optimal selection, we analyzed db(Daubechies), sym(Symlets), and coif(Coiflects) of Mother Wavelet. And we compared with performance of the choice algorithm using detail coefficients energy and RMS(root mean square) error. It can be improved the reliability of the conventional DFT based CRDR. The feasibility and effectiveness of the proposed scheme is proved with simulation using collected data obtained from ATP (Alternative Transient Program) package.

• Proceedings of the KIEE Conference
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• 2007.11b
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• pp.75-77
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• 2007

Current percentage differential relaying has been recognized as the principal basis of main protection for stator windings of AC generator. The DWT has merit of obtaining frequency characteristics in time domain. In order to compensate for DFT's defects, we proposed fault detection algorithm using DWT. This paper describes a comparative analysis about conventional DFT-based DFR and advanced DWT-based relaying.

• Nuclear Engineering and Technology
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• v.40 no.5
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• pp.365-374
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• 2008

Dependability-critical systems, such as digital instrumentation and control systems in nuclear power plants, necessitate engineering techniques and tools to provide assurances of their safety and reliability. Determining system reliability at the architectural design phase is important since it may guide design decisions and provide crucial information for trade-off analysis and estimating system cost. Despite this, reliability and system engineering remain separate disciplines and engineering processes by which the dependability analysis results may not represent the designed system. In this article we provide an overview and application of our approach to build architecture-based, dynamic system models for dependability-critical systems and then automatically generate dynamic fault trees (DFT) for comprehensive, tool-supported reliability analysis. Specifically, we use the Architectural Analysis and Design Language (AADL) to model the structural, behavioral and failure aspects of the system in a composite architecture model. From the AADL model, we seek to derive the DFT(s) and use Galileo's automated reliability analyses to estimate system reliability. This approach alleviates the dependability engineering - systems engineering knowledge expertise gap, integrates the dependability and system engineering design and development processes and enables a more formal, automated and consistent DFT construction. We illustrate this work using an example based on a dynamic digital feed-water control system for a nuclear reactor.