• 제목/요약/키워드: Zero-point energy

검색결과 118건 처리시간 0.025초

H2On-H2Om (n=1-4, m=1-4) 이중합체의 수소결합에 따른 구조적 특성 및 결합에너지에 관한 이론 연구 (Theoretical Study on the Hydrogen-Bonding Effect of H2On-H2Om (n=1-4, m=1-4) Dimers)

  • 송희성;서현일;신창호;김승준
    • 대한화학회지
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    • 제59권2호
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    • pp.117-124
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    • 2015
  • Hydrogen polyoxide, $H_2O_n-H_2O_m$(n=1-4, m=1-4) 이중합체(dimer)의 분자 구조 변화에 따른 수소결합(H-bonding) 효과를 순 이론적(ab initio) 방법과 밀도 범함수 이론(DFT)으로 계산하였다. 분자 구조는 B3LYP, CAM-B3LYP, MP2의 양자역학적 방법들을 사용하여 최적화하였으며, 진동주파수를 계산하여 최저에너지(true local minimum) 구조인 것을 확인하였다. 보다 정확한 수소결합 에너지(${\Delta}E$) 계산을 위하여 CCSD(T) 이론수준에서 한 점(single-point) 에너지 계산을 하였으며, 영점 진동에너지(ZPVE) 보정과 바탕집합 중첩에러(BSSE) 보정을 하였다. CCSD(T)/cc-pVTZ 이론 수준에서 $H_2O_4-H_2O_3$이 8.18 kcal/mol로 가장 강한 결합을 나타내었으며, 물 이중합체($H_2O-H_2O$)는 3.00 kcal/mol로 가장 약한 결합에너지를 나타내었다.

음성의 묵음구간 검출을 통한 DTW의 성능개선에 관한 연구 (A Study on the Improvement of DTW with Speech Silence Detection)

  • 김종국;조왕래;배명진
    • 음성과학
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    • 제10권4호
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    • pp.117-124
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    • 2003
  • Speaker recognition is the technology that confirms the identification of speaker by using the characteristic of speech. Such technique is classified into speaker identification and speaker verification: The first method discriminates the speaker from the preregistered group and recognize the word, the second verifies the speaker who claims the identification. This method that extracts the information of speaker from the speech and confirms the individual identification becomes one of the most efficient technology as the service via telephone network is popularized. Some problems, however, must be solved for the real application as follows; The first thing is concerning that the safe method is necessary to reject the imposter because the recognition is not performed for the only preregistered customer. The second thing is about the fact that the characteristic of speech is changed as time goes by, So this fact causes the severe degradation of recognition rate and the inconvenience of users as the number of times to utter the text increases. The last thing is relating to the fact that the common characteristic among speakers causes the wrong recognition result. The silence parts being included the center of speech cause that identification rate is decreased. In this paper, to make improvement, We proposed identification rate can be improved by removing silence part before processing identification algorithm. The methods detecting speech area are zero crossing rate, energy of signal detect end point and starting point of the speech and process DTW algorithm by using two methods in this paper. As a result, the proposed method is obtained about 3% of improved recognition rate compare with the conventional methods.

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Excitonic Energy Transfer of Cryptophyte Phycocyanin 645 Complex in Physiological Temperature by Reduced Hierarchical Equation of Motion

  • Lee, Weon-Gyu;Rhee, Young Min
    • Bulletin of the Korean Chemical Society
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    • 제35권3호
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    • pp.858-864
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    • 2014
  • Recently, many researches have shown that even photosynthetic light-harvesting pigment-protein complexes can have quantum coherence in their excitonic energy transfer at cryogenic and physiological temperatures. Because the protein supplies such noisy environment around pigments that conventional wisdom expects very short lived quantum coherence, elucidating the mechanism and searching for an applicability of the coherence have become an interesting topic in both experiment and theory. We have previously studied the quantum coherence of a phycocyanin 645 complex in a marine algae harvesting light system, using Poisson mapping bracket equation (PBME). PBME is one of the applicable methods for solving quantum-classical Liouville equation, for following the dynamics of such pigment-protein complexes. However, it may suffer from many defects mostly from mapping quantum degrees of freedom into classical ones. To make improvements against such defects, benchmarking targets with more accurately described dynamics is highly needed. Here, we fall back to reduced hierarchical equation of motion (HEOM), for such a purpose. Even though HEOM is known to applicable only to simplified system that is coupled to a set of harmonic oscillators, it can provide ultimate accuracy within the regime of quantum-classical description, thus providing perfect benchmark targets for certain systems. We compare the evolution of the density matrix of pigment excited states by HEOM against the PBME results at physiological temperature, and observe more sophisticated changes of density matrix elements from HEOM. In PBME, the population of states with intermediate energies display only monotonically increasing behaviors. Most importantly, PBME suffers a serious issue of wrong population in the long time limit, likely generated by the zero-point energy leaking problem. Future prospects for developments are briefly discussed as a concluding remark.

콘크리트의 파괴거동규명과 등가균열(等價龜裂)길이 이론확립(理論確立)에 관한 연구 (Fracture Behavior of Concrete and Equivalent Crack Length Theory)

  • 오병환
    • 대한토목학회논문집
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    • 제7권2호
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    • pp.59-68
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    • 1987
  • 본(本) 논문(論文)에서는 콘크리트의 파괴실험을 통하여 파괴거동을 규명하고 파괴에너지를 결정하였으며, 이로부터 파괴에너지 예측공식을 도출하였다. 콘크리트의 파괴실험은 3 점휨하중실험을 수행하였으며 초기균열길이에 따른 파괴거동과 파괴에너지의 변화특성을 규명하기 위하여 초기균열길이를 보깊이의 각각 0, 0.2, 0.4, 0.6 배로 하였다. 본 실험으로부터 하중-처짐곡선이 자동으로 기록되었으며, 이 하중-처짐곡선하의 면적이 콘크리트의 파괴에너지를 결정하기 위하여 이용되었다. 본 연구에서 도출된 파괴에너지 예측공식은 콘크리트구조물의 파괴해석을 위해 효과적으로 이용될 수 있으며, 파괴에너지가 콘크리트의 인장강도와 골재크기에 의존하고 있음을 나타내고 있다. 또한, 본 연구에서는 콘크리트보의 최대하중을 계산하기 위하여 소위 등가균열길이 개념용 고안하였으며, 이를 위하여 등가균열길이에 대한 예측공식을 제안하였다. 본 등가균열길이 개념은 R-curve 등(等)에 의하지 않고도 파괴하중을 계산할 수 있는 효과적인 개념으로 분석되고 있다.

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냉매를 작동유체로 사용하는 태양열 난방시스템에 관한 연구 (A study on the solar assisted heating system with refrigerant as working fluid)

  • 김지영;고광수;박윤철
    • 한국태양에너지학회 논문집
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    • 제25권4호
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    • pp.37-44
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    • 2005
  • An experimental study was conducted to analyze performance of a heating system with variation of control logic of the system. The system uses a solar as heat source and composed with heat pump that uses R-22 as working fluid. The difference between the developed system and the commercially available heating system is working fluid. The solar assisted heating system which was widely distributed in the market uses water as a working fluid. It could be freezing in case of the temperature drops down under freezing point. The anti-freezing fluids such as methyl-alcohol or ethylene-glycol are mixed with the water to protect the freezing phenomena. However, the system developed in this study uses a refrigerant as a working fluid. It makes the system to run under zero degree temperature conditions. Another difference of the developed system compare with commercial available one is auxiliary heating method. The developed system has removed an auxiliary electric heater that has been used in conventional solar assisted heating system. Instead of the auxiliary electric heater, an air source heat exchanger which generally used as an evaporator of a heat pump was adapted as a backup heating device of the developed system. As results, an efficiency of the developed system is higher than a solar assisted heat pump with auxiliary electric heater. The merit of the developed system is on the performance increment when the system operates at a lower solar energy climate conditions. In case of the developed system operates at a normal condition, COP of the solar collector driven heat pump is higher than the air source heat exchanger driven heat pump's.

Dual Mode Phase-Shifted ZVS-PWM Series Load Resonant High-Frequency Inverter for Induction Heating Super Heated Steamer

  • Hisayuki Sugimura;Hidekazu Muraoka;Tarek Ahmed;Srawouth Chandhaket;Eiji Hiraki;Mutsuo Nakaoka;Lee, Hyun-Woo
    • Journal of Power Electronics
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    • 제4권3호
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    • pp.138-151
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    • 2004
  • In this paper, a constant frequency phase shifting PWM-controlled voltage source full bridge-type series load resonant high-frequency inverter using the $4^{th}$ generation IGBT power modules is presented for innovative consumer electromagnetic induction heating applications, such as a hot water producer, steamer and super heated steamer. The bridge arm side link passive capacitive snubbers in parallel with each power semiconductor device and AC load side linked active edge inductive snubber-assisted series load resonant tank soft switching inverter with a constant frequency phase shifted PWM control scheme is evaluated and discussed on the basis of the simulation and experimental results. It is proved from a practical point of view that the series load resonant and edge resonant hybrid high-frequency inverter topology, what is called, DE class type, including the variable-power variable-frequency regulation function can expand zero voltage soft switching commutation area even under low output power setting ranges, which is more suitable and acceptable for newly developed induction heated dual pack fluid heaters. Furthermore, even the lower output power regulation mode of this high-frequency load resonant tank inverter circuit is verified so that this inverter can achieve ZVS with the aid of the single auxiliary inductor snubber.

Dynamic analysis of offshore wind turbines

  • Zhang, Jian-Ping;Wang, Ming-Qiang;Gong, Zhen;Shi, Feng-Feng
    • Wind and Structures
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    • 제31권4호
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    • pp.373-380
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    • 2020
  • For large-scale 5MW offshore wind turbines, the discrete equation of fluid domain and the motion equation of structural domain with geometric nonlinearity were built, the three-dimensional modeling of the blade considering fluid-structure interaction (FSI) was achieved by using Unigraphics (UG) and Geometry modules, and the numerical simulation and the analysis of the vibration characteristics for wind turbine structure under rotating effect were carried out based on ANSYS software. The results indicate that the rotating effect has an apparent effect on displacement and Von Mises stress, and the response and the distribution of displacement and Von Mises stress for the blade in direction of wingspan increase nonlinearly with the equal increase of rotational speeds. Compared with the single blade model, the blade vibration period of the whole machine model is much longer. The structural coupling effect reduces the response peak value of the blade displacement and Von Mises stress, and the increase of rotational speed enhances this coupling effect. The maximum displacement difference between two models decreases first and then increases along wingspan direction, the trend is more visible with the equal increase of rotational speed, and the boundary point with zero displacement difference moves towards the blade root. Furthermore, the Von Mises stress difference increases gradually with the increase of rotational speed and decreases nonlinearly from the blade middle to both sides. The results can provide technical reference for the safe operation and optimal design of offshore wind turbines.

Full Geometry Optimizations of Bond-Stretch Isomers of C202+ Fullerene Dication by the Hybrid Density Functional B3LYP Methods

  • Lee, Ji-Hyun;Lee, Chang-Hoon;Park, Sung-S.;Lee, Kee-Hag
    • Bulletin of the Korean Chemical Society
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    • 제32권1호
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    • pp.277-280
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    • 2011
  • We studied the relative stability and atomic structure of five $C_{20}^{2+}$ isomers obtained by two-electron ionization of a $C_{20}$ cage (the smallest fullerene). All the isomers are bond-stretch isomers, i.e., they differ in bond length. In particular, in one of the isomers with Ih symmetry, all the bond lengths are equal. Full geometry optimizations of the dipositive ion $C_{20}^{2+}$ were performed using the hybrid density functional (B3LYP/6-31G(d)) methods. All isomers were found to be true minima by frequency analysis at the level of B3LYP/6-31G(d) under the reinforced tight convergence criterion and a pruned (99,590) grid. The zero-point correction energy for the cage bond-stretch isomers was in the increasing order $D_{2h}<C_{2h}<C_2<T_h<I_h$ of $C_{20}^{2+}$. The energy difference among the isomers of cage dipositive ions was less than that among neutral cage isomers. Our results suggest that these isomers show bond-stretch isomerism and that they have an identical spin state and an identical potential energy curve. Although the predominant electronic configurations of the isomers are similar, the frontier orbital characteristics are different, implying that we could anticipate an entirely different set of characteristic chemical reactions for each type of HOMO and LUMO.

표면 처리에 따른 입상활성탄 및 활성탄소섬유의 중금속 흡착 (Adsorption of heavy metal ions onto a surface treated with granular activated carbon and activated carbon fibers)

  • 강광철;권수한;김승수;최종원;전관식
    • 분석과학
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    • 제19권4호
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    • pp.285-289
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    • 2006
  • 본 연구에서는 산 표면 처리한 입상 활성탄(GAC)과 활성 탄소섬유(ACF)에 의한 $Pb^{2+}$$Ni^{2+}$ 이온의 흡착 특성을 고찰하였다. 산 표면 처리용액으로는 1.0 M 질산 용액을 사용하였다. GAC와 ACF의 표면특성분석은 pH, 등전점(pHpzc), 그리고 원소분석기를 사용하였으며, 비표면적과 기공구조는 77K에서 $N_2$ 등온흡착 방법으로 측정하였다. 본 실험결과 GAC 와 ACF를 산으로 표면 처리한 경우 산소를 포함한 작용기가 증가하였다. 이처럼 산 표면 처리에 의해 증가된 표면 작용기에 따른 GAC 및 ACF의 기공이 막힘에도 불구하고, acidic-ACF > untreated-ACF > acdic-GAC > untreated-GAC 순으로 중금속 흡착능이 증가하였다.

ZVS-PWM Boost Chopper-Fed DC-DC Converter with Load-Side Auxiliary Edge Resonant Snubber and Its Performance Evaluations

  • Ogura, Koki;Chandhaket, Srawouth;Ahmed, Tarek;Nakaoka, Mutsuo
    • Journal of Power Electronics
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    • 제4권1호
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    • pp.46-55
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    • 2004
  • This paper presents a high-frequency ZVS-PWM boost chopper-fed DC-DC converter with a single active auxiliary edge resonant snubber in the load-side which can be designed for power conditioners such as solar photovoltaic generation, fuel cell generation, battery and super capacitor energy storages. Its principle operation in steady-state is described in addition to a prototype setup. The experimental results of ZVS-PWM boost chopper-fed DC-DC converter proposed here, are evaluated and verified with a practical design model in terms of its switching voltage and current waveforms, the switching v-i trajectory, the temperature performance of IGBT module, the actual power conversion efficiency and the EMI of radiated and conducted emissions. And then discussed and compared with the hard switching scheme from an experimental point of view. Finally, this paper proposes a practical method to suppress parasitic oscillation due to the active auxiliary resonant switch at ZCS turn off mode transition with the aid of an additional lossless clamping diode loop, and reduced the EMI conducted emission in this paper.