• 제목/요약/키워드: Optimized calculation

검색결과 323건 처리시간 0.024초

Anion Photoelectron Spectroscopy and Theoretical Calculation of the Hetero-dimers of Polycyclic Aromatic Hydrocarbons

  • Kim, Namdoo;Lee, Sang Hak
    • Bulletin of the Korean Chemical Society
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    • 제34권5호
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    • pp.1441-1444
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    • 2013
  • Hetero-dimer anions of naphthalene (Np), anthracene (An), phenanthrene (Ph) and pyrene (Py) were investigated using the time-of-flight mass spectrometer (TOF-MS), anion photoelectron spectroscopy (PES) and theoretical calculation. There are two possible geometries with their electron affinity (EA) difference: parallel displaced (PD) and T-shaped. Dispersion force plays a key role in PD structure with the formation of a new anionic core while ${\pi}$-hydrogen interaction plays a key role in T-shaped structure with the monomer anionic core. The optimized structures and charge distributions can simply be explained by the relative difference of EA.

A Study on the Possibility of Hull Form Design using Numerical Towing Tank (SHIPFLOW)

  • 이귀주;좌순원;선재욱
    • 한국해양공학회:학술대회논문집
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    • 한국해양공학회 2003년도 춘계학술대회 논문집
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    • pp.251-253
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    • 2003
  • This paper discusses some practical problems of the determination of ship wave resistance from flow calculation and the model test. there are so many kind of CFD program as FLUENT, WAVIS, SHIPFLOW, COMET etc. for finding optimized hull. we should know how much percent we trust the program. so if we gather computed values of the wave resistance we'll able to get more accurated values of presumptive.

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Comparison of Structural Types of Proline Pentamer by Quantum Chemical Calculation (QCC)

  • Jae-Ho Sim
    • International Journal of Advanced Culture Technology
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    • 제11권2호
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    • pp.323-329
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    • 2023
  • In this study, Proline pentamer model was used to investigate change in the dihedral angle, intramolecular hydrogen bonding and formation energies during structural optimization. L-Proline (LP, as an imino acid residue) pentamers having four conformation types [β: φ/ψ=t−/t+, α: φ/ψ=g−/g−, PPII: φ/ψ=g−/t+ and Plike: φ/ψ= g−/g+] were carried out by QCC [B3LYP/6-31G(d,p)]. The optimized structure and formation energy were examined for designated structure. In LP, P-like and PPII types did not change by optimization, and β types were transformed into PPII having no H-bond independently of the designated ψ values. PPII was more stable than P-like by about 2.2 kcal/mol/mu. The hydrogen bond distances of d2(4-6) type H-bonds were 1.94 - 2.00Å. In order to understand the processes of the transformations, the changes of φ/ψ, distances of NH-OC (dNH/CO) and formation energies (ΔE, kcal/mol/mu) were examined.

Research on Keyword-Overlap Similarity Algorithm Optimization in Short English Text Based on Lexical Chunk Theory

  • Na Li;Cheng Li;Honglie Zhang
    • Journal of Information Processing Systems
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    • 제19권5호
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    • pp.631-640
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    • 2023
  • Short-text similarity calculation is one of the hot issues in natural language processing research. The conventional keyword-overlap similarity algorithms merely consider the lexical item information and neglect the effect of the word order. And some of its optimized algorithms combine the word order, but the weights are hard to be determined. In the paper, viewing the keyword-overlap similarity algorithm, the short English text similarity algorithm based on lexical chunk theory (LC-SETSA) is proposed, which introduces the lexical chunk theory existing in cognitive psychology category into the short English text similarity calculation for the first time. The lexical chunks are applied to segment short English texts, and the segmentation results demonstrate the semantic connotation and the fixed word order of the lexical chunks, and then the overlap similarity of the lexical chunks is calculated accordingly. Finally, the comparative experiments are carried out, and the experimental results prove that the proposed algorithm of the paper is feasible, stable, and effective to a large extent.

Optimal design of spoke double-layer cable-net structures based on an energy principle

  • Ding, Mingmin;Luo, Bin;Han, Lifeng;Shi, Qianhao;Guo, Zhengxing
    • Structural Engineering and Mechanics
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    • 제74권4호
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    • pp.533-545
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    • 2020
  • An optimal design method for a spoke double-layer cable-net structure (SDLC) is proposed in this study. Simplified calculation models of the SDLC are put forward to reveal the static responses under vertical loads and wind loads. Next, based on an energy principle, the relationship among the initial prestress level, cross-sectional areas of the components, rise height, sag height, overall displacement, and relative deformation is proposed. Moreover, a calculation model of the Foshan Center SDLC is built and optimized. Given the limited loading cases, material properties of the components, and variation ranges of the rise height and sag height, the self-weight and initial prestress level of the entire structure can be obtained. Because the self-weight of the cables decreases with increasing of the rise height and sag height, while the self-weight of the inner strut increases, the total weight of the entire structure successively exhibits a sharp reduction, a gradual decrease, a slow increase, and a sharp increase during the optimization process. For the simplified model, the optimal design corresponds to the combination of rise height and sag height that results in an appropriate prestress level of the entire structure with the minimum total weight.

원자력발전소 주요기기의 건전성 평가를 위한 3차원 탄소성 해석 시스템의 개발 (Development of a Three Dimensional Elastic Plastic Analysis System for the Integrity Evaluation of Nuclear Power Plant Components)

  • 허남수;임창주;김영진;표창률;박치용
    • 대한기계학회논문집A
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    • 제24권8호
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    • pp.2015-2021
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    • 2000
  • In order to evaluate the integrity of nuclear power plant components, the analysis based on fracture mechanics is crucial. For this purpose, finite element method is popularly used to obtain J-integral. However, it is time consuming to design the finite element model of a cracked structure. Also, the J-integral should be verified by alternative methods since it may differ depending on the calculation method. The objective of this paper is to develop a three-dimensional elastic-plastic J-integral analysis system which is named as EPAS program. The EPAS program consists of an automatic mesh generator for a through-wall crack and a surface crack, a solver based on ABAQUS program, and a J-integral calculation program which provides DI (Domain Integral) and EDI (Equivalent Domain Integral) based J-integral calculation. Using the EPAS program, an optimized finite element model for a cracked structure can be generated and corresponding J-integral can be obtained subsequently.

실험 계획법 및 열역학 계산법을 이용한 초고온가스로용 니켈계 초합금 설계 방법론 (Methodology of Ni-base Superalloy Development for VHTR using Design of Experiments and Thermodynamic Calculation)

  • 김성우;김동진
    • Corrosion Science and Technology
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    • 제12권3호
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    • pp.132-141
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    • 2013
  • This work is concerning a methodology of Ni-base superalloy development for a very high temperature gas-cooled reactor(VHTR) using design of experiments(DOE) and thermodynamic calculations. Total 32 sets of the Ni-base superalloys with various chemical compositions were formulated based on a fractional factorial design of DOE, and the thermodynamic stability of topologically close-packed(TCP) phases of those alloys was calculated by using the THERMO-CALC software. From the statistical evaluation of the effect of the chemical composition on the formation of TCP phase up to a temperature of 950 oC, which should be suppressed for prolonged service life when it used as the structural components of VHTR, 16 sets were selected for further calculation of the mechanical properties. Considering the yield and ultimate tensile strengths of the selected alloys estimated by using the JMATPRO software, the optimized chemical composition of the alloys for VHTR application, especially intermediate heat exchanger, was proposed for a succeeding experimental study.

PIV에 의한 인삼세척기의 특성연구 (A Study on Flow Characteristics of a Ginseng Cleaner Using PIV)

  • 송치성
    • 한국마린엔지니어링학회:학술대회논문집
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    • 한국마린엔지니어링학회 2000년도 춘계학술대회 논문집(Proceeding of the KOSME 2000 Spring Annual Meeting)
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    • pp.140-145
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    • 2000
  • The objective of experimental study is to apply simultaneous measurement by PIV(Particle Image Velocimetry) to high_speed flow characteristics within ginseng cleaner model. Three different kinds of flow rate(15.20 27ℓ/min) are selected as experimental condition. Optimized cross correlation identification to obtain velocity vectors is implemented by direct calculation of correlation coefficients. The instantaneous velocity distribution time0mean velocity distribution and velocity profile are represented quantitatively for the deeper understanding of the flow characteristics in a ginseng cleaner model.

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Analysis on the optimized depth of 3D displays without an accommodation error

  • Choi, Hee-Jin;Kim, Joo-Hwan;Park, Jae-Byung;Lee, Byoung-Ho
    • 한국정보디스플레이학회:학술대회논문집
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    • 한국정보디스플레이학회 2007년도 7th International Meeting on Information Display 제7권2호
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    • pp.1811-1814
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    • 2007
  • Accommodation error is one of the main factors that degrade the comfort while watching stereoscopic 3D images. We analyze the limit of the expressible 3D depth without an accommodation error using the human factor information and wave optical calculation under Fresnel approximation.

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인삼세척기 내부유동장의 PIV계측 및 유동특성 (PIV Measurement and Flow Characteristics of Internal Flow Field within Ginseng Washing Machine)

  • 나은수;송치성
    • 연구논문집
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    • 통권30호
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    • pp.59-65
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    • 2000
  • The objective of experimental study is to apply simultaneous measurement by PIV(Particle Image Velocimetry)to high_speed flow characteristics within Ginseng washing machine. Three different kinds of flow rate(15,20,27 $\ell$/min)are selected as experimental conditions. Optimized cross correlation identification to obtain velocity vectors is implemented by direct calculation of correlation coefficients. Instantaneous velocity distribution, time-mean velocity distribution and velocity profiles are represented quantitatively at the full-scale region for the deeper understanding of the flow characteristics in Ginseng washing machine.

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