• 제목/요약/키워드: Perturbation method

검색결과 914건 처리시간 0.029초

Investigation of the Protonated State of HIV-1 Protease Active Site

  • Nam, Ky-Youb;Chang, Byung-Ha;Han, Cheol-Kyu;Ahn, Soon-Kil;No, Kyoung-Tai
    • Bulletin of the Korean Chemical Society
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    • 제24권6호
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    • pp.817-823
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    • 2003
  • We have performed ab initio calculation on the active site of HIV-1 protease. The FEP method was used to determine the binding free energy of four different of protonated states of HIV-1 protease with inhibitor. The structure of the active site and hole structure was taken from the X-ray crystallographic coordinates of the C₂ symmetric inhibitor A74704 protease bound. The active site was modeled with the fragment molecules of binding pocket, acetic acid/ acetate anion (Asp25, Asp125), formamide (amide bond of Thr26/Gly27, Thr126/ Gly127), and methanol as inhibitor fragment. All possibly protonated states of the active site were considered, which were diprotonated state (0, 0), monoprotonated (-1, 0),(0, -1) and diunprotonated state (-1, -1). Once the binding energy Debind, of each model was calculated, more probabilistic protonated states can be proposed from binding energy. From ab-initio results, the FEP simulations were performed for the three following mutations: Ⅰ) Asp25 … Asp125 → AspH25 … Asp125, ⅱ) Asp25 … Asp125 → Asp25 … AspH125, ⅲ) AspH25 … Asp125 → AspH25 … AspH125. The free energy difference between the four states gives the information of the more realistic protonated state of active site aspartic acid. These results provide a theoretical prediction of the protonation state of the catalytic aspartic residues for A74707 complex, and may be useful for the evaluation of potential therapeutic targets.

다목적 시스템식별을 이용한 모우드 불확실성이 있는 구조물의 강인 최적 감쇠기 설계 (Robust Optimal Damper Design of Structures with Modal Uncertainty Using Multi-Objective System Identification)

  • 정성운;옥승용;박원석;고현무
    • 한국안전학회지
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    • 제27권1호
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    • pp.76-85
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    • 2012
  • This paper proposes a robust damper design technique for adjacent structures against model uncertainty. This approach introduces multi-objective optimization based system identification using measurement information which enables reasonable selection of the perturbation range in the robust design. Moreover, in order to improve the numerical efficiency in sampling the structural models required for the robust design of large structures, we define new objective functions which enable us to minimize the number of candidate models suitable to the purpose of the robust design. In addition, the performance index is newly employed to evaluate the robust performance of the sampled structural models, and the robust design has been performed according to the performance index. As a numerical example to demonstrate the efficiency of the proposed method, 5-story and 10-story two adjacent buildings are taken into account, and the existing and newly proposed robust design approaches are compared with each other. The results demonstrate that the proposed approach can guarantee more robust damper system only using small number of samples of the structural models because of using the measurement information which leads to improvement in the numerical efficiency, compared with the existing robust design methods.

Predicting the Frequency of Combustion Instability Using the Measured Reflection Coefficient through Acoustic Excitation

  • Bae, Jinhyun;Yoon, Jisu;Joo, Seongpil;Kim, Jeoungjin;Jeong, Chanyeong;Sohn, Chae Hoon;Borovik, Igor N.;Yoon, Youngbin
    • International Journal of Aeronautical and Space Sciences
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    • 제18권4호
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    • pp.797-806
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    • 2017
  • In this study, the reflection coefficient (RC) and the flame transfer function (FTF) were measured by applying acoustic excitation to a duct-type model combustor and were used to predict the frequency of the combustion instability (CI). The RC is a value that varies with the excitation frequency and the geometry of the combustor as well as other factors. Therefore, in this study, an experimentally measured RC was used to improve the accuracy of prediction in the cases of 25% and 75% hydrogen in a mixture of hydrogen and methane as a fuel. When the measured RCs were used, an unstable condition was correctly predicted, which had not been predicted when the RCs had been assumed to be a certain value. The reason why the CI occurred at a specific frequency was also examined by comparing the peak of the FTF with the resonance frequency, which was calculated using Helmholtz's resonator analysis and a resonance frequency equation. As the CI occurred owing to the interaction between the perturbation in the rate of heat release and that in the pressure, the CI was frequent when the peak of the FTF was close to the resonance frequency such that constructive interference could occur.

New Trend Proposal in Optimization Techniques Application for Mobile Network, Analysis and Signal Processing

  • HAMROUNI, Chafaa
    • Journal of Multimedia Information System
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    • 제7권3호
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    • pp.221-230
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    • 2020
  • Used optimization techniques as solution for mobile network have been implemented as a reference systems for various applications against fading and signals perturbation, in addition each transition to 5th generation telecommunication standards require a deep studies in order to park an applied instantaneous process. The paper describes a preliminary planning and a careful preparation to update both subscriber radio access network as well as data transmission network this approach conducts to make network resource updates invisible for customers and with minimal costs for mobile operators basically in terms of delay. In addition, network operators transit to mobile networks, multimedia services efficient delivery are considered the challenging application and the most promising for mobile network operators today, this work conduct to optimize video consumption of mobile users which are exponentially increasing. The interference is a complex phenomenon in mobile radio telecommunication system, and a mobile phone can be a source of interference to another one. Actual advances in technology necessitate the need for the complicated software solution that can take several unexpected phenomena in consideration to rise to a level higher than ever. The capability needs today require the use of Drive test which is used to take the performance of network in the field by using a special software called TEMS investigation, it have been implemented as standalone systems for various applications. The paper focuses on considering as the best technical for optimization of mobile networks, analysis and processing of signal, a Drive Test is the method used to take the performance of network in the field by using a special software called TEMS investigation. Most used in the world, this software is reputed to detect and analyze many problems of mobile network between the mobile phone and the transmitter: BTS in case of GSM and Node B for UMTS. An example of that is interference in radio communication. It exists permanently and it degrades considerably the quality of received signal when it exceeds certain levels.

조파판 수중운동의 근사해석과 조파기 설계에 응용 (Simplified Analytic Solution of Submerged Wave Board Motion and Its Application on the Design of Wave Generator)

  • 권종오;김효철;류재문;오정근
    • 대한조선학회논문집
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    • 제54권6호
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    • pp.461-469
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    • 2017
  • A segment of the wave board has been expressed as a submerged line segment in the two dimensional wave flume. The lower end of the line segment could be extended to the bottom of the wave flume and the other opposite upper end of the board could be extended to the free surface. It is assumed that the motion of the wave board could be defined by the sinusoidal motion in horizontal direction on either end of the wave board. When the amplitude of sinusoidal motion of the wave board on lower and upper end are equal, the wave board motion could express the horizontally oscillating submerged segment of piston type wave generator. The submerged segment of flap type wave generator also could be expressed by taking the motion amplitude differently for the either end of the board. The pivot point of the segment motion could play a role of hinge point of the flap type wave generator. Simplified analytic solution of oscillating submerged wave board segment in water of finite depth has been derived through the first order perturbation method at two dimensional domain. The case study of the analytic solution has been carried out and it is found out that the solution could be utilized for the design of wave generator with arbitrary shape by linear superposition.

평행관 모델링을 통한 보일러 화로벽관 내 밀도파 불안정의 해석 (Analysis of Density Wave Oscillation in Boiler Furnace Wall Tubes with Parallel Channel Modeling)

  • 김진일;최상민
    • 대한기계학회논문집B
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    • 제37권2호
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    • pp.187-196
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    • 2013
  • 화력발전용 관류보일러 화로벽관에서의 밀도파 불안정 예측을 목적으로 수치모델을 개발하였다. 시간 도메인에서 1 차원 유한체적법을 적용하여 관내 비정상상태의 유동장을 계산하였으며, 화로벽관의 평행관 연결을 모사하기 위해 헤더의 모델도 포함하였다. 평행관들 가운데 하나의 관에 열 섭동을 부가 후 관 입출구 유량의 변동을 관찰함으로써 밀도파 불안정을 찾았다. 개발된 모델은 문헌의 실험결과와 검증을 거쳐 700MW 보일러 화로벽관에 적용하였다. 그 결과 Takitani 의 실험결과에서는 평행으로 연결된 우회 유량이 줄어들수록 불안정 경계 열량이 상승하는 경향이 있었던 반면, 보일러 화로벽관의 경우에는 평행관 모델링에 크게 영향을 받지 않음을 확인하였다.

비선형 경사 균열면에서의 고조파 발생 특성 해석 (Analysis of Harmonic Wave Generation in Nonlinear Oblique Crack Surface)

  • 김노유;양승용
    • 비파괴검사학회지
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    • 제32권4호
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    • pp.376-387
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    • 2012
  • 비선형 스프링 모델과 섭동법을 기초로 비선형 균열면에 경사 입사된 초음파에 의해 발생되는 2차 고조파 초음파의 크기를 계산하였다. 비선형 균열계면에서 만들어지는 반사파와 굴절파의 기본주파수 성분과 2차 고조파 성분의 크기를 입사각과 균열계면의 계면강성을 변화키면서 조사하였다. 계면강성에 관계없이 균열계면이 초음파 진행 방향과 비슷한 경우 반사와 굴절파 모두에서 2차 고조파의 발생은 거의 없었지만, 그렇지 않은 경우에는 계면 입사각은 물론 계면 강성에 따라 2차 고조파의 크기는 크게 변화하였다. 투과파는 물론 반사파에서도 2차 고조파 성분이 유의성 있게 발생됨을 수치 해석을 통해 확인하였다.

슬랏을 갖는 도파관형 공진기를 이용한 박막 필름의 유전율 측정 (Permittivity Measurement of Thin Film Using a Waveguide-type Resonator with a Slot)

  • 조치현;강진섭;김정환
    • 한국전자파학회논문지
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    • 제24권2호
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    • pp.214-217
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    • 2013
  • 본 논문에서는 박막 필름의 유전율 측정이 가능한 슬랏을 갖는 도파관형 공진기를 제안하였으며, 시료에 의한 공진 주파수 천이 현상으로부터 유전율을 측정한다. 이를 위하여 공진기 한 쪽에 얇은 슬랏을 두고, 그 위에 부착된 시료에 의해 공진기 내부 전자기장 분포가 섭동되어 공진 주파수 천이 현상이 발생될 수 있도록 하였다. 유전율에 따른 공진 주파수 천이량은 수치 해석을 통하여 계산하였으며, 이를 기반으로 2~3 GHz 대역에서 $65{\mu}m$ 두께의 박막 필름 유전율을 측정하였다. 측정 결과, 유전율은 평균 $3.3492{\pm}0.0605$(표준오차)를 보였으며, 유전체 공진기나 도파관 프로브 방법과 같은 다른 측정법들과 상호 비교를 통해 제안 방법의 유효성을 검증하였다.

도플러 효과에 의한 지연 동기 루프의 추적 성능분석 (Infulence of doppler effects on the tracking performance of a dely locked loop)

  • 임성준;유흥균
    • 한국통신학회논문지
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    • 제23권4호
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    • pp.857-864
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    • 1998
  • 본 논문은 도플러 효과가 GPS 수신기용 비동기 2차 DLL(noncoherent second-order delay locked loop)의 추적 성능에 미치는 영향을 분석하였다. 성능 분석을 위하여 선형 DLL의 추적 정확도(steady state error and jitter)와 비선형 루프의 신뢰도를 고려하였다. 루프의 신뢰도에 관한 비선형 분석은 MTLL(mean time to lose lock)에서 근사 확장법을 사용하였다. 특히, 최대 MTLL을 얻기 위하여 loop에서 대역 여파기의 최적 대역폭과 최적 루프 파라미터를 제안하였다. 저궤도 위성의 경우는 도플러 영향이 크게 나타나므로 MTLL을 최대로 추적 오차를 최소 하는 효과를 기대할 수 있다. 시뮬레이션 결과로부터 설계된 디지탈 지연동기 루프 시스템이 정확히 동작함을 확인하기 위해 GPS 신호를 발생시키는 시뮬레이터인 STR-2770을 사용, 도플러 주파수를 첨가하여 실제 상황과 같은 환경에서 FPGA로 구현된 DLL회로의 성능을 검증하였다.

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상하단이 자유롭게 수평동요하는 수중 조파판에 의해 생성된 수면파의 근사해석 (Linear Analysis of Water Surface Waves Generated by Submerged Wave Board Whose Upper and Lower Ends Oscillate Horizontally Freely)

  • 김효철;오정근;권종오;류재문
    • 대한조선학회논문집
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    • 제56권5호
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    • pp.418-426
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    • 2019
  • To derive a simplified analytic solution which can be utilized as a fundamental solution for the wave maker design, a segment of the wave board has been idealized as a submerged line segment in a two dimensional domain of a wave flume. The lower end of the line segment could be located at arbitrary depth of the wave flume and the upper end of the board could be also submerged to any depth from the free surface. The freely oscillating motion of the wave board is assumed to be defined by determining the condition of horizontal oscillation on both ends differently. The submerged wave board oscillating in horizontal direction could be specified by selecting the amplitude, frequency and the phase lag differently on lower and upper ends of the board. The simplified two dimensional wave generated by the wave board segment has been obtained by the first order perturbation method. It is found that the general solution of the freely oscillating wave board in two dimensional domain could be decomposed into the solution of flap motion with lower end hinge and swing motion with upper end hinge. The case study of the analytic solutions has been carried out to evaluate the effect on the wave height due to the difference of oscillation frequency, phase difference and variation of stroke between for the motion of both ends. It is found that the solution of the freely oscillating wave board could be utilized for the development of high performance wavemaker especially for irregular waves.