• Title/Summary/Keyword: DFT method

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A Buck-Boost Type Charger with a Switched Capacitor Circuit

  • Wu, Jinn-Chang;Jou, Hurng-Liahng;Tsai, Jie-Hao
    • Journal of Power Electronics
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    • v.15 no.1
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    • pp.31-38
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    • 2015
  • In this paper, a buck-boost type battery charger is developed for charging battery set with a lower voltage. This battery charger is configured by a rectifier circuit, an integrated boost/buck power converter and a switched capacitors circuit. A boost power converter and a buck power converter sharing a common power electronic switch are integrated to form the integrated boost/buck power converter. By controlling the common power electronic switch, the battery charger performs a hybrid constant-current/constant-voltage charging method and gets a high input power factor. Accordingly, both the power circuit and the control circuit of the developed battery charger are simplified. The switched capacitors circuit is applied to be the output of the boost converter and the input of the buck converter. The switched capacitors circuit can change its voltage according to the utility voltage so as to reduce the step-up voltage gain of the boost converter when the utility voltage is small. Hence, the power efficiency of a buck-boost type battery charger can be improved. Moreover, the step-down voltage gain of the buck power converter is reduced to increase the controllable range of the duty ratio for the common power electronic switch. A prototype is developed and tested to verify the performance of the proposed battery charger.

Exercise Recognition using Accelerometer Based Body-Attached Platform (가속도 센서 기반의 신체 부착형 플랫폼을 이용한 운동 인식)

  • Kim, Joo-Hyung;Lee, Jeong-Eom;Park, Yong-Chan;Kim, Dae-Hwan;Park, Gwi-Tae
    • The Transactions of The Korean Institute of Electrical Engineers
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    • v.58 no.11
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    • pp.2275-2280
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    • 2009
  • u-Healthcare service is one of attractive applications in ubiquitous environment. In this paper, we propose a method to recognize exercises using a new accelerometer based body-attached platform for supporting u-Healthcare service. The platform consists of a device for measuring accelerometer data and a device for receiving the data. The former measures a user's motion data using a 3-axis accelerometer. The latter transmits the accelerometer data to a computer for recognizing the user's exercise. The algorithm for exercise recognition classifies the type of exercise using principle components analysis(PCA) from the accelerometer data transformed by discrete fourier transform(DFT), and estimates the repetition count of the recognized exercise using a peak detection algorithm. We evaluate the performance of the algorithm from the accuracy of the recognition of exercise type and the error rate of the estimation of repetition count. In our experimental result, the algorithm shows the accuracy about 98%.

Study of Self-assembled Organic Layer Formation at the HATCN/Au Interface

  • Kim, Ji-Hoon;Won, Sangyeon;Kwon, Young-Kyun;Kahng, Se-Jong;Park, Yongsup
    • Proceedings of the Korean Vacuum Society Conference
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    • 2013.08a
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    • pp.150.2-150.2
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    • 2013
  • We elucidate the mechanism of the self-assembled organic layer formation at the organic/metal interface of hexaaza-triphenylene-hexacarbonitrile (HATCN)/Au(111) by first-principles calculations and Lowtemperature scanning tunneling microscope (STM). In this work, we used HATCN to deposit organic material which is well known as an efficient OLED charge generation material. Low-temperature STM measurements revealed that self-assembled hexagonal porous structure is formed at terraces of Au(111). We also found that the hexagonal porous structure has chirality and forms only small (<1000 $nm^2$) phaseseparated chiral domains that can easily change their chiral phase in subsequence STM images at 80 K. To explain the mechanism of these observation, we calculated the molecular-molecular and molecule-surface interaction energies by using density functional theory method. We found that the change of their chiral phase resulted from the competition between the two energies. These results have not only verified our experimental observations, but also revealed the delicate balance between different interactions that caused the self-assembed structures at the surface.

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Molecular dynamics studies of interaction between hydrogenand carbon nano-carriers

  • Wang, Yun-Che;Wu, Chun-Yi;Chen, Chi;Yang, Ding-Shen
    • Coupled systems mechanics
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    • v.3 no.4
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    • pp.329-344
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    • 2014
  • In this work, quantum molecular dynamics simulations (QMD) are preformed to study the hydrogen molecules in three types of carbon nanostructures, $C_{60}$ fullerene, (5,5) and (9,0) carbon nanotubes and graphene layers. Interactions between hydrogen and the nanostructures is of importance to understand hydrogen storage for the development of hydrogen economy. The QMD method overcomes the difficulties with empirical interatomic potentials to model the interaction among hydrogen and carbon atoms in the confined geometry. In QMD, the interatomic forces are calculated by solving the Schrodinger's equation with the density functional theory (DFT) formulation, and the positions of the atomic nucleus are calculated with the Newton's second law in accordance with the Born-Oppenheimer approximation. It is found that the number of hydrogen atoms that is less than 58 can be stored in the $C_{60}$ fullerene. With larger carbon fullerenes, more hydrogen may be stored. For hydrogen molecules passing though the fullerene, a particular orientation is required to obtain least energy barrier. For carbon nanotubes and graphene, adsorption may adhere hydrogen atoms to carbon atoms. In addition, hydrogen molecules can also be stored inside the nanotubes or between the adjacent layers in graphite, multi-layer graphene.

Studies on Methanolic Extract of Lepidagathis keralensis as Green Corrosion Inhibitor for Mild Steel in 1M HCl

  • Leena, Palakkal;Zeinul Hukuman, N.H.;Biju, A.R.;Jisha, Mullapally
    • Journal of Electrochemical Science and Technology
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    • v.10 no.2
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    • pp.231-243
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    • 2019
  • The methanolic extracts of the leaves and stem of the plant Lepidagathis keralensis were evaluated for anticorrosion behavior against mild steel in 1M HCl. Corrosion inhibition studies were done by gravimetric method, electrochemical impedance spectroscopy and potentiodynamic polarization methods. Surface morphology of mild steel in the presence and absence of inhibitors were studied using SEM analysis. UV-Vis studies were also done to evaluate the mechanism of inhibition. Both the extracts showed good inhibition efficiency which increased with increase in concentration of the inhibitor and decreased with increase in temperature. The mechanism of inhibition was explained by adsorption which obeyed Langmuir adsorption isotherm. Thermodynamic calculations revealed a combination of both physisorption and chemisorption of the inhibitor on the surface of mild steel. The extracts behaved as mixed type inhibitors as determined by polarization studies. Quantum chemical studies on Phenoxyethene, one of the major components in the leaf extract of the plant was also carried out to support the experimental results.

One-dimensional Schottky nanodiode based on telescoping polyprismanes

  • Sergeyev, Daulet
    • Advances in nano research
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    • v.10 no.4
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    • pp.339-347
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    • 2021
  • In the framework of the density functional theory combined with the method of non-equilibrium Green functions (DFT + NEGF), the electric transport properties of a one-dimensional nanodevice consisting of telescoping polyprismanes with various types of electrical conductivity were studied. Its transmission spectra, density of state, current-voltage characteristic, and differential conductivity are determined. It was shown that C[14,17], C[14,11], C[14,16], C[14,10] show a metallic nature, and polyprismanes C[14,5], C[14,4] possess semiconductor properties and has a band gap of 0.4 eV and 0.6 eV, respectively. It was found that, when metal C[14,11], C[14,10] and semiconductor C[14,5], C[14,4] polyprismanes are coaxially connected, a Schottky barrier is formed and a weak diode effect is observed, i.e., manifested valve (rectifying) property of telescoping polyprismanes. The enhancement of this effect occurs in the nanodevices C[14,17] - C[14,11] - C[14,5] and C[14,16] - C[14,10] - C[14,4], which have the properties of nanodiode and back nanodiode, respectively. The simulation results can be useful in creating promising active one-dimensional elements of nanoelectronics.

One-dimensional Schottky nanodiode based on telescoping polyprismanes

  • Sergeyev, Daulet
    • Advances in nano research
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    • v.10 no.5
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    • pp.471-479
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    • 2021
  • In the framework of the density functional theory combined with the method of non-equilibrium Green functions (DFT + NEGF), the electric transport properties of a one-dimensional nanodevice consisting of telescoping polyprismanes with various types of electrical conductivity were studied. Its transmission spectra, density of state, current-voltage characteristic, and differential conductivity are determined. It was shown that C[14,17], C[14,11], C[14,16], C[14,10] show a metallic nature, and polyprismanes C[14,5], C[14,4] possess semiconductor properties and has a band gap of 0.4 eV and 0.6 eV, respectively. It was found that, when metal C[14,11], C[14,10] and semiconductor C[14,5], C[14,4] polyprismanes are coaxially connected, a Schottky barrier is formed and a weak diode effect is observed, i.e., manifested valve (rectifying) property of telescoping polyprismanes. The enhancement of this effect occurs in the nanodevices C[14,17] - C[14,11] - C[14,5] and C[14,16] - C[14,10] - C[14,4], which have the properties of nanodiode and back nanodiode, respectively. The simulation results can be useful in creating promising active one-dimensional elements of nanoelectronics.

Structure determination of two new compounds isolated from a marine sponge Haliclona(Gellius) sp.

  • Lee, Kyung;Kim, Yun Na;Jeong, Eun Ju
    • Journal of the Korean Magnetic Resonance Society
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    • v.25 no.2
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    • pp.24-32
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    • 2021
  • Two new sesterterpenes, including a known sesterterpene, were isolated from the marine sponge Haliclona sp. collected in the Gageo island, Korea. One of the new sesterterpenes (1) was an unusual compound possessing a spiroketal moiety and the other (2) represented a four ring-fused skeleton. The planar structure of compound 1 was identical to gombaspiroketals A and B isolated from the marine sponge Clathria gombawuiensis, but the configuration for the two chiral centers was different each other. On the other hand, the skeletal structure of compound 2 was similar to that of phorone A isolated from Phorbas sp. and a compound from C. gombawuiensis, except for one configuration at C-8. However, in comparing the 1H and 13C NMR spectral data, the proton and carbon chemical shifts for the three compounds were almost consistent. The NOESY spectrum revealed that the C-8 configuration of 2 was reversed to that of the two reported compounds. The configuration for compound 2 was supported by quantum mechanical calculation for the carbon chemical shifts and DP4+ probability for the protons and carbons of 2.

Fast Graphic Visualization of Frequency Response for Audio Equalizer (오디오 이퀄라이저를 위한 주파수 응답의 고속 그래픽 표현 방법)

  • Kim, Ki-Jun;Park, Hochong
    • Journal of Broadcast Engineering
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    • v.20 no.4
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    • pp.632-640
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    • 2015
  • This paper proposes a new method for fast graphic visualization of accurate frequency response of audio equalizer (EQ). When a logarithmic frequency scale is used, a frequency response in high resolution is required for accurate low-band frequency response. However, the high-resolution frequency response requires a huge amount of computational load, which makes the real-time graphic visualization of frequency response impossible. In order to solve the problem of computational load, the proposed method utilizes a low-resolution virtual frequency response in the mid band. It first computes the virtual frequency response of each filter of EQ in the mid band, and then moves it to the target band so that the result corresponds to the desired filter response. Then, it determines the final frequency response of EQ by combining all filter responses. The experiments confirm that the proposed method provides the frequency response of EQ which has an equivalent shape to that computed in high frequency resolution with huge computational load.

Phase Error Accumulation Methodology for On-chip Cell Characterization (온 칩 셀 특성을 위한 위상 오차 축적 기법)

  • Kang, Chang-Soo;Im, In-Ho
    • 전자공학회논문지 IE
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    • v.48 no.2
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    • pp.6-11
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    • 2011
  • This paper describes the design of new method of propagation delay measurement in micro and nanostructures during characterization of ASIC standard library cell. Providing more accuracy timing information about library cell (NOR, AND, XOR, etc.) to the design team we can improve a quality of timing analysis inside of ASIC design flow process. Also, this information could be very useful for semiconductor foundry team to make correction in technology process. By comparison of the propagation delay in the CMOS element and result of analog SPICE simulation, we can make assumptions about accuracy and quality of the transistor's parameters. Physical implementation of phase error accumulation method(PHEAM) can be easy integrated at the same chip as close as possible to the device under test(DUT). It was implemented as digital IP core for semiconductor manufacturing process($0.11{\mu}m$, GL130SB). Specialized method helps to observe the propagation time delay in one element of the standard-cell library with up-to picoseconds accuracy and less. Thus, the special useful solutions for VLSI schematic-to-parameters extraction (STPE), basic cell layout verification, design simulation and verification are announced.