• Title/Summary/Keyword: quantum calculation

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Signal Level Analysis of a Camera System for Satellite Application

  • Kong, Jong-Pil;Kim, Bo-Gwan
    • Proceedings of the KSRS Conference
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    • 2008.10a
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    • pp.220-223
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    • 2008
  • A camera system for the satellite application performs the mission of observation by measuring radiated light energy from the target on the earth. As a development stage of the system, the signal level analysis by estimating the number of electron collected in a pixel of an applied CCD is a basic tool for the performance analysis like SNR as well as the data path design of focal plane electronic. In this paper, two methods are presented for the calculation of the number of electrons for signal level analysis. One method is a quantitative assessment based on the CCD characteristics and design parameters of optical module of the system itself in which optical module works for concentrating the light energy onto the focal plane where CCD is located to convert light energy into electrical signal. The other method compares the design\ parameters of the system such as quantum efficiency, focal length and the aperture size of the optics in comparison with existing camera system in orbit. By this way, relative count of electrons to the existing camera system is estimated. The number of electrons, as signal level of the camera system, calculated by described methods is used to design input circuits of AD converter for interfacing the image signal coming from the CCD module in the focal plane electronics. This number is also used for the analysis of the signal level of the CCD output which is critical parameter to design data path between CCD and A/D converter. The FPE(Focal Plane Electronics) designer should decide whether the dividing-circuit is necessary or not between them from the analysis. If it is necessary, the optimized dividing factor of the level should be implemented. This paper describes the analysis of the electron count of a camera system for a satellite application and then of the signal level for the interface design between CCD and A/D converter using two methods. One is a quantitative assessment based on the design parameters of the camera system, the other method compares the design parameters in comparison with those of the existing camera system in orbit for relative counting of the electrons and the signal level estimation. Chapter 2 describes the radiometry of the camera system of a satellite application to show equations for electron counting, Chapter 3 describes a camera system briefly to explain the data flow of imagery information from CCD and Chapter 4 explains the two methods for the analysis of the number of electrons and the signal level. Then conclusion is made in chapter 5.

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Synthesis, Crystal Structure and Theoretical Calculation of a Novel Nickel(II) Complex with Dibromotyrosine and 1,10-Phenanthroline

  • Huang, Guimei;Zhang, Xia;Fan, Yuhua;Bi, Caifeng;Yan, Xingchen;Zhang, Zhongyu;Zhang, Nan
    • Bulletin of the Korean Chemical Society
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    • v.34 no.10
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    • pp.2889-2894
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    • 2013
  • A new complex [$Ni(phen)(C_9H_8Br_2NO_3)_2{\cdot}2CH_3OH{\cdot}2H_2O$] [phen: 1,10-phenanthroline $C_9H_8Br_2NO_3$: 3,5-dibromo-L-tyrosine] was synthesized and characterized by IR, elemental analysis and single crystal X-ray diffraction. X-ray crystallography shows that Ni(II) ion is six-coordinated. The Ni(II) ion coordinates with four nitrogen atoms and two oxygen atoms from three ligands, forming a mononuclear Ni(II) complex. The crystal crystallizes in the Orthorhombic system, space group $P2_12_12$ with a = 12.9546 ${\AA}$, b = 14.9822 ${\AA}$, c = 9.9705 ${\AA}$, V = 1935.2 ${\AA}$, Z = 1, F(000) = 1008, S = 0.969, ${\rho}_{calcd}=1.742g{\cdot}cm^{-3}$, ${\mu}=4.688mm^{-1}$, $R_1$ = 0.0529 and $wR_2$ = 0.0738 for 3424 observed reflections (I > $2{\sigma}(I)$). Theoretical study of the title complex was carried out by density functional theory (DFT) method and the B3LYP method employing the $6-3l+G^*$ basis set. The energy gap between HOMO and LUMO indicates that this complex is prone to interact with DNA. CCDC: 908041.

Vibration-to-Vibration Energy Transfer Between HF and DF in the Mixture (HF와 DF 혼합계내에서의 상호간 진동-진동 에너지 이동)

  • Chang Soon Lee;Yoo Hang Kim
    • Journal of the Korean Chemical Society
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    • v.28 no.1
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    • pp.26-33
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    • 1984
  • The rate constants for the following vibration-to-vibration energy exchange reactions have been calculated theoretically for the temperature range from 300 to 800K and for n = 2 to 5. HF(v=n) + DF(v=0) ${\to}$ HF(v=n-l) + DF(v=l) + ${\Delta}E$(a) DF(v=n) + HF(v=0) ${\to}$ DF(v=n-l) + HF(v=l) + ${\Delta}E$(b) In calculation the loosely-held, non-rigid dimer collision model and semiclassical method have been employed. The results show that the rate constants for the processes (a) are much greater than those for the processes (b). Also, it is found that the rate constants for the processes (a) increase with decreasing temperature and with increasing quantum number, while those for the processes (b) show the opposite tendencies. These findings are explained in terms of the sign and magnitude of the energy mismatch, ${\Delta}E$.

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Investigation of the Hyperfine Structure Effect in a Mn-Doped LiNbO3 (Mn이 첨가된 LiNbO3의 초 미세구조 효과 연구)

  • Lee, Haeng-Ki;Jang, Hyon-Chol;Park, Jung-Il
    • Journal of the Korean Vacuum Society
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    • v.21 no.3
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    • pp.171-177
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    • 2012
  • The computer program (EPR-NMR program version 6.2) employed here sets up the spin Hamiltonian matrices and determines their eigenvalues using exact diagonalization. We study the electron spin resonance for $Mn^{2+}$ in ferroelectric $LiNbO_3$ single crystals. The self-energy is obtained using the projection operator method developed by Argyres and Sigel. The self-energy is calculated to be axially symmetric about the by the spin Hamiltonian. The line-widths decreased as the temperature increased; we assume that the hyperfine structure transition is a more dominant scattering than the other transitions. We conclude that the calculation process presented in this study is useful for quantum optical transitions.

MO Interpretation for the trans Effect of Square Planar Type Pt(Ⅱ) Complexes (사각평면형 백금(Ⅱ) 착물의 트란스효과에 대한 분자궤도함수론적 해석)

  • Byung-Kak Park;Lee Sang-Hyup;Hwhan-Jin Yeo;Iee-Yeung Cho
    • Journal of the Korean Chemical Society
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    • v.32 no.5
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    • pp.495-500
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    • 1988
  • The trans effect has been interpreted for a series of trans-[PtNH$_3$Cl$_2$2L] (L = H$_2$O, NH$_3$, Cl$^-$, Br$^-$, I$^-$, CH$_3$ and PH$_3$) and PtCl$_4^{-2}$ by means of our modified-EHMO method. The calculation shows that reduced overlap population(ROP) of Pt-N bond trans to L is decreased with a better trans director. That is, the trans effect has been found to be enhanced with a better trans director. Accordingly, it could be interpreted quantum chemically the trans effect for a general trans-PtTL$_2$X complex.

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THE ADAPTATION METHOD IN THE MONTE CARLO SIMULATION FOR COMPUTED TOMOGRAPHY

  • LEE, HYOUNGGUN;YOON, CHANGYEON;CHO, SEUNGRYONG;PARK, SUNG HO;LEE, WONHO
    • Nuclear Engineering and Technology
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    • v.47 no.4
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    • pp.472-478
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    • 2015
  • The patient dose incurred from diagnostic procedures during advanced radiotherapy has become an important issue. Many researchers in medical physics are using computational simulations to calculate complex parameters in experiments. However, extended computation times make it difficult for personal computers to run the conventional Monte Carlo method to simulate radiological images with high-flux photons such as images produced by computed tomography (CT). To minimize the computation time without degrading imaging quality, we applied a deterministic adaptation to the Monte Carlo calculation and verified its effectiveness by simulating CT image reconstruction for an image evaluation phantom (Catphan; Phantom Laboratory, New York NY, USA) and a human-like voxel phantom (KTMAN-2) (Los Alamos National Laboratory, Los Alamos, NM, USA). For the deterministic adaptation, the relationship between iteration numbers and the simulations was estimated and the option to simulate scattered radiation was evaluated. The processing times of simulations using the adaptive method were at least 500 times faster than those using a conventional statistical process. In addition, compared with the conventional statistical method, the adaptive method provided images that were more similar to the experimental images, which proved that the adaptive method was highly effective for a simulation that requires a large number of iterations-assuming no radiation scattering in the vicinity of detectors minimized artifacts in the reconstructed image.

Hydrogen adsorption experiments with IRMOF-3 as a sorbent, and the molecular modeling studies on the functionalized MOFs (IRMOF-3 의 수소 흡착 실험 및 Organic Linker 의 작용기에 따른 분자모델링 연구)

  • Lee, Eungsung;Oh, Youjin;Yoon, Jihye;Kim, Jaheon;Kim, DaeJin;Lee, Tae-Bum;Choi, Seung-Hoon;Lee, Jun;Cho, Sung June
    • Transactions of the Korean hydrogen and new energy society
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    • v.15 no.2
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    • pp.108-118
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    • 2004
  • To find out rational design and synthetic strategies toward efficient hydrogen storage materials, molecular modeling and quantum mechanical studies have been carried out on the MOFs(Metal-Organic Frameworks) having various organic linkers and nanocube frameworks. The calculation results about the free volume ratio, surface area, and electron density variation of the frameworks indicated that the capacity of the hydrogen storage of MOFs was largely dependent on the specific surface area and electron localization around benzene ring rather than the free volume of MOFs. The prediction of the modeling study could be supported by the hydrogen adsorption experiments using IRMOF-1 and -3, which showed more enhanced hydrogen storage capacities of IRMOF-3 compared with the IRMOF-1's at both experimental conditions, 77K, ∠ $H_2$ 1 atm and ambient temperature, ∠ $H_2$ 35 atm.

A Study on the Structure of Polarization Independent GaInAs/GaInAsP/InP Semiconductor Optical Amplifier (편광 비의존성 GaInAs/GaInAsP/InP 반도체 광 증폭기 구조에 관한 연구)

  • Park, Yoon-Ho;Kang, Byung-Kwon;Lee, Seok;Cho, Yong-Sang;Kim, Jeong-Ho;Hwang, Sang-Ku;Hong, Tchang-Hee
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.3 no.3
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    • pp.681-686
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    • 1999
  • In this study, the gain characteristics of the strained structures for SOA were calculated numerically and the optimized strained quantum well for the polarization-insensitive SOA was obtained. The structures used in this calculation were consisted of one, two, and three GaAs Delta layers respectively in the GaInAs(160 $\AA$) well. Moreover the third one was calculated by changing from one mono-layer to three mono-layers in the thichless of GaAs delta layers. This structure enhances the TM mode gain coefficient with good efficiency because the light-hole band is lifted up whereas the heavy-hole band is lowered down. Additionally, The structure of the 3 GaAs delta layers(1 mono layer thickness) shows 3dB gain bandwidth of 85nm in 1.55um wavelength system. This study is expected to be used in making a wide band and polarization-independent semiconductor optical amplifier practically.

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The Study on Prediction of Oxidative Decomposition Potential by Comparison between Simulation and Electrochemical Methods to Develop the Binder for High-voltage Lithium-ion Batteries (고전압용 리튬이차전지 바인더 개발을 위한 시뮬레이션 및 전기화학 평가 비교를 통한 산화분해전압 예측 연구)

  • Yu, Jee Min;Kashaev, Alexey;Lee, Maeng-Eun
    • Journal of the Korean Electrochemical Society
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    • v.16 no.3
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    • pp.177-183
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    • 2013
  • As the development of available binder in the harsh conditions is needed, we propose the proper binder for high-voltage lithium-ion secondary batteries based on the quantum chemistry modeling. The optimized structures, HOMO (Highest Occupied Molecular Orbital) energies and ionization potentials of 4 binders, which were considered from monomer to tetramer, were investigated by the semi-empirical and DFT (Density Functional Theory) calculations. The results show that the ionization potential values by calculation tend to be close to the oxidation potentials from the measurement of linear sweep voltametry (LSV). The order of oxidative resistance from high value to low value is following: poly(hexafluropropylene), poly(vinylidene fluoride), poly(methyl acrylate) and poly(acryl amide). Also these results correspond with the experimental values. Thus, we find the reason why HOMO (Highest Occupied Molecular Orbital) energy of PHFP has the highest value than other binders by analysis of HOMO orbital structures.

Theoretical Investigation on Collinear Phase Matching Stimulated Polariton Scattering Generating THz Waves with a KTP Crystal

  • Tan, Lian;Yuan, Bin;Li, Yongjun;Wang, Silei;Zhang, Hongtao;Bing, Pibin;Yao, Jianquan;Li, Zhongyang
    • Current Optics and Photonics
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    • v.3 no.4
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    • pp.342-349
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    • 2019
  • We present a theoretical research concerning terahertz (THz) wave generation with $KTiOPO_4$ (KTP) by collinear phase matching (CPM) stimulated polariton scattering (SPS). Both CPM and corresponding nonzero nonlinear coefficients can be simultaneously realized with $s{\rightarrow}f+f$ in yz plane, $s{\rightarrow}f+s$ with ${\theta}$ < ${\Omega}$ in xz plane and $s{\rightarrow}f+f$ with ${\theta}$ < ${\Omega}$ in xz plane. The effective nonlinear coefficients including electronic nonlinearities and ionic nonlinearities are calculated. Based on the parameter values of refractive indices, absorption coefficients and effective nonlinear coefficients, we simulate THz wave intensities generated with CPM SPS by solving coupled wave equations and give the relationship among the maximum THz wave intensity, optimal crystal length and the angle ${\theta}$. The calculation results demonstrate that CPM SPS with KTP can generate THz waves with high intensities and quantum conversion efficiencies.