• Title/Summary/Keyword: Semi-empirical Method

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Study on Surface Enhanced Raman Scattering of Indigo Carmine (lndigo Carmine의 표면증강라만스펙트럼에 관한 연구)

  • Lee, Chul Jae
    • The Journal of the Convergence on Culture Technology
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    • v.4 no.2
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    • pp.155-160
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    • 2018
  • In this study, the experiments for surface enhancement of silver mirror substrates were done, where we checked the characteristics of silver surface made by Tollen's and ${\gamma}$- irradiation method. The surface enhancement of Indigo carmine was analyzed by silver mirror and silver sol surfaces. The assignments of the vibrational bands shown in SERS spectra are given based on both literature and the semi-empirical calculations at the PM3 methods. We deduced that the adsorption orientation of Indigo carmine was little tilted perpendicular to the silver surfaces by using of the surface selection rules.

Shear Cracking of Prestressed Girders with High Strength Concrete

  • Labib, Emad L.;Mo, Y.L.;Hsu, Thomas T.C.
    • International Journal of Concrete Structures and Materials
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    • v.7 no.1
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    • pp.71-78
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    • 2013
  • Prestressed concrete (PC) is the predominant material in highway bridge construction. The use of high-strength concrete has gained wide acceptance in the PC industry. The main target in the highway industry is to increase the durability and the life-span of bridges. Cracking of elements is one aspect which affects durability. Recently, nine 7.62 meter long PC I-beams made with different concrete strength were designed according to a simple, semi-empirical equation developed at the University of Houston (UH) (Laskar et al., ACI Journal 107(3): 330-339, 2010). The UH Method is a function of shear span-to-depth ratio (a/d), concrete strength $\sqrt{f^{\prime}_c}$, web area $b_wd$, and amount of transverse steel. Based on testing these girders, the shear cracking strength of girders with different concrete strength and different shear span-to-depth ratio was investigated and compared to the available approaches in current codes such as ACI 318-11 (2011) and AASHTO LRFD Specifications (2010).

C 1s photoelectron energy loss spectra of organic electroluminescent materials

  • Lee, J.W.;Kim, T.H.
    • Journal of Korean Vacuum Science & Technology
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    • v.4 no.1
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    • pp.1-5
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    • 2000
  • The C 1s photoelectron energy loss spectra of tris (8-hydroxy-quinoline) aluminum (Alq$_3$) and N,N'-diphenyl-N,N'-bis (3-methyl phenyl)-1,1'-bi-phenyl-4,4'-diamine (TPD) thin films have been investigated. Two major loss structures, namely the plasmon dominated loss lines and shake-up satellites, have been observed. The shake-up spectrum of the C 1s photoelectron line is directly related to the $\pi$-$\pi$$\^$*/ energy gap of the molecule which plays an important role in organic electroluminescent materials. The molecular orbitals of Alq$_3$ and TPD and their major components, quinolime and benzene, have been calculated with the AMI semi-empirical method. The amount of the plasma-dominated loss of Alq$_3$ and TPD, which has to do with the delocalization of electrons through the molecule, was about 24 eV, alike in both cases. The main peak of the C 1s shake-up spectrum of Alq$_3$ and TPD, however, was 5.2 eV and 6.8 eV respectively. It was found that the main shake-up peak reflects more the local $\pi$\longrightarrow$\pi$$\^$*/ transition of quinoline and benzene component rather than the excitation of the whole molecule of Alq$_3$ and TPD. The C 1s shake-up spectra, however, revealed some correlation with the optical energy gap of the organic eletroluminescent materials.

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A Study of Modeling PEM Fuel Cell System Using Multi-Variable Optimization Technique for Automotive Applications (다변수 최적화 기법을 이용한 자동차용 고분자전해질형 연료전지 시스템 모델링에 관한 연구)

  • Kim, Han-Sang;Min, Kyoung-Doug;Jeon, Soon-Il;Kim, Soo-Whan;Lim, Tae-Won;Park, Jin-Ho
    • 한국신재생에너지학회:학술대회논문집
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    • 2005.11a
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    • pp.541-544
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    • 2005
  • This study presents the integrated modeling approach to simulate the proton exchange membrane (PEM) fuel cell system for vehicle application. The fuel cell system consisting of stack and balance of plant (BOP) was simulated with MATLAB/Simulink environment to estimate the maximum system power and investigate the effect of BOP component sizing on system performance and efficiency. The PEM fuel cell stack model was established by using a semi-empirical modeling. To maximize the net efficiency of fuel cel1 system, multi-variable optimization code was adopted. Using this method the optimized operating values were obtained according to various system net power levels. The fuel cell model established was co-linked to AVL CRUISE, a vehicle simulation package. Through the vehicle simulation software, the fuel economy of fuel cell powered electric vehicle for two types of driving cycles was presented and compared. It is expected that this study tan be effectively employed in the basic BOP component sizing and in establishing system operation map with respect to net power level of fuel cell system.

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Construction of 3D Earth Optical Model for Earth Remote Sensing (Amon-Ra) Instrument at L1 Halo Orbit

  • Ryu, Dong-Ok;Seong, Se-Hyun;Hong, Jin-Suk;Kim, Sug-Whan
    • Bulletin of the Korean Space Science Society
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    • 2011.04a
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    • pp.30.1-30.1
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    • 2011
  • We present construction of 3D Earth optical Model for in-orbit performance prediction of L1 halo orbiting earth remote sensing instrument; the Albedo Monitor and Radiometer (Amon-Ra) using Integrated Ray Tracing (IRT) computational technique. The 3 components are defined in IRT; 1) Sun model, 2) Earth system model (Atmosphere, Land and Ocean), 3)Amon-Ra Instrument model. In this report, constructed sun model has Lambertian scattering hemisphere structure. The atmosphere is composed of 16 distributed structures and each optical model includes scatter model with both reflecting and transmitting direction respond to 5 deg. intervals of azimuth and zenith angles. Land structure model uses coastline and 5 kinds of vegetation distribution data structure, and its non-Lambertian scattering is defined with the semi-empirical "parametric kernel method" used for MODIS (NASA) missions. The ocean model includes sea ice cap with the sea ice area data from NOAA, and sea water optical model which is considering non-Lambertian sun-glint scattering. The IRT computation demonstrate that the designed Amon-Ra optical system satisfies the imaging and radiometric performance requirement. The technical details of the 3D Earth Model, IRT model construction and its computation results are presented together with future-works.

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Use of infinite elements in simulating liquefaction phenomenon using coupled approach

  • Kumari, Sunita;Sawant, V.A.
    • Coupled systems mechanics
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    • v.2 no.4
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    • pp.375-387
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    • 2013
  • Soils consist of an assemblage of particles with different sizes and shapes which form a skeleton whose voids are filled with water and air. Hence, soil behaviour must be analyzed by incorporating the effects of the transient flow of the pore-fluid through the voids, and therefore requires a two-phase continuum formulation for saturated porous media. The present paper presents briefly the Biot's basic theory of dynamics of saturated porous media with u-P formulation to determine the responses of pore fluid and soil skeleton during cyclic loading. Kelvin elements are attached to transmitting boundary. The Pastor-Zienkiewicz-Chan model has been used to describe the inelastic behavior of soils under isotropic cyclic loadings. Newmark-Beta method is employed to discretize the time domain. The response of fluid-saturated porous media which are subjected to time dependent loads has been simulated numerically to predict the liquefaction potential of a semi-infinite saturated sandy layer using finite-infinite elements. A settlement of 17.1 cm is observed at top surface. It is also noticed that liquefaction occurs at shallow depth. The mathematical advantage of the coupled finite element analysis is that the excess pore pressure and displacement can be evaluated simultaneously without using any empirical relationship.

An Analysis on 3-Dimensional Temperature Distribution of Jet Vanes for a Thrust Vector Control (추력방향조종용 제트베인의 3차원 온도분포 해석)

  • Hwang, Ki-Young
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2011.11a
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    • pp.283-291
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    • 2011
  • A computational investigation has been carried out to study the heat transfer characteristics of jet vane assembly used for the thrust vector control(TVC) of a vertical launch motor. In this study, the coefficients of convective heat transfer on the jet vane are calculated using the solutions of thermal boundary-layer equation and several semi-empirical equations. The calculation of 3-dimensional temperature distribution for the jet vane assembly was performed using the softwares called PATRAN and ABAQUS. The accuracy of the present numerical method is verified by comparing with the measured and calculated temperatures within jet vane shaft. The temporal variation of jet vane temperatures for three deflection angles(0o, 12.5o, 25o) was discussed.

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Empirical Analysis of Factors which Generate Voluntary Participation in Selling Centers

  • SCHWARZKOPF, Rico
    • Journal of Distribution Science
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    • v.18 no.5
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    • pp.83-88
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    • 2020
  • Purpose of the research: In response to the increasing number of selling centers, this paper examines factors that influence the voluntary participation in selling centers. The goal of this study is to enable organizations to meet changing market conditions, which require interdisciplinary collaboration during sales projects. This paper also discusses potential problems which may occure during the implementation of these factors in practice. Research design and methodology: The research method consists of a qualitative cross-sectional study with N=12 interviewees. All interviewees are current or former selling center participants. During the interview sessions, semi-structured face-to-face interviews were used, which were evaluated using a qualitative content analysis. In addition, a frequency analysis was applied to evaluate the number of mentions per factor. Research results: In total, five factors were raised in order to improve the framework conditions of voluntary participation. These factors are performance incentives, transparency, availability of resources, goal orientation, as well as collegiality and affiliation. Major conclusions: The identified factors are also under discussion in the existing literature. Knowing about factors that generate voluntary participation in selling centers pays off particularly in improving the probability of completion of sales projects in which buying centers and selling centers are working together.

Semi-Empirical SCF MO Studies of Conformation and Acid Catalysis of Thioacetamide (양자화학적 방법의 개발과 응용. 티오아세트아미드의 형태와 산촉매 가수분해반응에 대한 반경험적 SCF MO)

  • Ik Choon Lee;Ki Yull Yang;Byung Choon Lee
    • Journal of the Korean Chemical Society
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    • v.25 no.4
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    • pp.207-213
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    • 1981
  • Conformations of thioacetamide (TAA) and its protonated form were determined using the CNDO/2 method, and the intermolecular interaction energies between the protonated TAA and water were calculated. It was found that: (1) protonation occurs preferentially on the N rather than on the S atom, (2) the stabilization energy of intermolecular perturbation between the protonated TAA and water was also large for the N-protonated TAA. This causes preferential CS bond cleavage due to large antibonding nature of the CS bond in the LUMO, and leads to an orbital controlled reaction.

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Boron-Containing Solid Fuel Combustion and Cycle Analysis (보론을 포함한 고체 연료 연소와 사이클 해석)

  • Lee, Tae Ho
    • Journal of the Korean Society of Propulsion Engineers
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    • v.19 no.1
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    • pp.18-24
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    • 2015
  • An experimental investigation was conducted to figure out the effects of the inlet air temperature on the combustion efficiency using the fuel grains which were highly loaded with boron carbide. The results showed that the normalized combustion efficiency increased with the inlet air temperature, apparently the result of enhanced combustion of the boron particles. Even though the combustion efficiency is increased, the overall efficiency through the semi-empirical method, is decreased with the increasing inlet air temperature. Brayton cycle analysis has been performed using the heat input parameter and combustor Mach number, those two parameters are important role for the performance and similar trends are shown at the experimental results.