• Title/Summary/Keyword: dipole fitting

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Analysis of Photoluminescence of Eu3+ in YOBr and Investigation of Critical Distance (YOBr:Eu3+ 형광체의 발광특성과 임계거리 연구)

  • Kim, Gyeong Hwa;Park, Jong Gyu;Park, Hui Dong;Han, Jeong Hwa
    • Journal of the Korean Chemical Society
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    • v.45 no.6
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    • pp.570-576
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    • 2001
  • The europium doped yttrium oxybromide phosphors were synthesized by solid-state reaction method. The YOBr: $Eu^{3+}$ phosphor showed a strong and narrow red emission band at 621 nm and maximum emission intensity obtained when 0.05 mol Eu ions were doped. The red emission of $Eu^{3+}$ originated from $^5D_0$ ${\rightarrow}$ $^7F_2$electric dipole transition. In order to investigate on photoluminescence behavior, several experimental skills and numerical fittings are conducted to the YOBr: $Eu^{3+}$ phosphor. The emission spectrum was measured in the UV range and then decay curve of $^5D_0$ ${\rightarrow}$ $^7F_j$transitions was examined. The energy interaction type of YOBr: $Eu^{3+}$ phosphor was dipole-dipole interaction. In addition to the calculating by critical concentration, the critical distance ($R_0$) was calculated by decay curve fitting parameter from Inokuti-Hirayamas equation, and spectral overlap method. The critical distance was 17.03, 10.51 and 7.18$\AA$ for those methods, respectively. As considering systematic error of measurements, these values are within the same order, so that the above fitting methods are plausible and recommendable.

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A Study on the Energy Transfer of YAlO3:Tbx3+ using Decay Curves (YAlO3:Tbx3+에서 발광소멸 곡선을 이용한 에너지 전달에 관한 연구)

  • Kim, Gwang Chul;Choi, Jin Soo
    • Journal of the Semiconductor & Display Technology
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    • v.14 no.1
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    • pp.13-17
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    • 2015
  • $YAlO_3:Tb{_x}^{3+}$ has been synthesized by a combustion process and the concentration x of Tb was varied from 0.001 and 0.05 mol% per mole of YAlO3. The energy transfer of $^5D_3{\rightarrow}^7F_6$(385nm) and $^5D_4{\rightarrow}^7F_5$(544nm) transitions on the $YAlO_3:Tb{_x}^{3+}$(x =0.001, 0.05) have been investigated by using decay curves. The energy transfer mechanism was explained by Inokuti and Hirayama model. The results of calculation and fitting showed that values of n are 6.11(x=0.01) and 6.13(x=0.005). These indicate that the energy transfer mechanism between $Tb^{3+}$ ions is dipole-dipole interaction.

Study for Energy Transfer from Rhodamine 6G to Malachite Green Using Time Correlated Single Photon Counting Method (시간상관 단일광자 계수법에의한 Rhodamine 6G에서 Malachite Green으로의 에너지 전달 연구)

  • Kim, Hyun-Soo;Eom, Hyo-Soon;Choi, Gyu-Kwan;Jeong, Hong-Sik;Kim, Ung
    • Korean Journal of Optics and Photonics
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    • v.2 no.4
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    • pp.203-208
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    • 1991
  • We investigated the nonradiative energy transfer process from Rhodamine 6G to Malachite Green in ethylen glycol solvent using time correlated single photon counting system equipped with a modelocked Ar ' laser. The reduced concentration and critical transfer distance for various acceptor concentration were obtained by using a full-fitting analysis of the fluorescence decay curves. We found that Huber model is more suitable than Forster model and the influence of energy migration through the dipole-dipole interaction becomes more significant for the low acceptor concentrations relative to the donor concentration($5\times 10^4$mol/l).

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Non-linear Dielectric properties of amorphous polymers(III) (무정형 고분자의 비선형 유전 특성(III))

  • Kang, D.H.;Park, S.H.;Yeo, H.C.;Lee, Y.S.
    • Proceedings of the KIEE Conference
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    • 2001.07c
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    • pp.1366-1368
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    • 2001
  • In this study it can be confirmed that the formula by the free-rotational dipole theory is similiar with that by the phenomenological theory and the non-linear permittivity is determined only with the third harmonic conponent of polarization. Various parameters of VDCN copolymers were obtained from fitting results with the related formula.

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Meaning and Definition of Partial Charges (부분 전하의 의미와 정의)

  • Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.3 no.4
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    • pp.231-236
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    • 2010
  • Partial charge is an important and fundamental concept which can explain many aspects of chemistry. Since a molecule can be regarded as neclei surrounded by electron cloud, there is no way to define a partial charge accurately. Nevertheless, there have been many attempts to define these seemingly impossible parameters, since they would facilitate the understanding of molecular properties such as molecular dipole moment, solvation, hydrogen bonding, molecular spectroscopy, chemical reaction, etc. Common methods are based on the charge equalization, orbital occupancy, charge density, and electric multipole moments, and electrostatic potential fitting. Methods based on the charge equalization using electronegativity are very fast, and therefore they have been used to study many compounds. Methods to subdivide orbital occupancy using basis set conversion, relies on the notion that molecular orbitals are composed of atomic orbitals. The main idea is to reduce overlap integral between two nuclei using converted orthogonal basis sets. Using some quantum mechanical observables like electrostatic potential or charge multipole moments. Using potential grids obtained from wavefunction, partial charges can be fitted. these charges are most useful to describe intermolecular electrostatic interactions. Methods to using dipole moment and its derivatives, seems to be sensitive the level of theory, Dividing electron density using density gradient being the most rigorous theoretically among various schemes, bears best potential to describe the charge the most adequately in the future.

A Study on Spin-Lattice Relaxation of $^{19}$F Spins in Benzotrifluoride: Contributions from Dipole-Dipole Interaction and Spin-Rotation Interaction

  • Hyun Namgoong;Jo Woong Lee
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.91-95
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    • 1993
  • In this work we have studied the spin-lattice relaxation of $^{19}$F spins in benzotrifluoride in our quest for a reliable method of discriminating the contribution due to dipolar relaxation mechanism from that due to spin-rotational mechanism for nuclear spins located on methyl or substituted methyl group in organic molecules. Over the temperature range of 248-268 K the decay of normalized longitudinal magnetization was found to be well described by a two parameter equation of the form R(t) = exp(-st){$\frac{5}{6}$exp(-s$_1$)+$\frac{1}{6}$} which was derived under the assumption that interactions in the A3 spin system are modulated randomly and predominantly by internal rotational motions of -CF_3$ top, and it was shown that the separation of contribution due to dipolar interactions from that due to spin-rotation interaction could be successfully achieved by least-square fitting of observed data to this equation. The results indicate that the spin-rotational contribution is overwhelmingly larger than that of dipolar origin over the given temperature range and becomes more deminating at higher temperature.

Efficient crosswell EM Tomography using localized nonlinear approximation

  • Kim Hee Joon;Song Yoonho;Lee Ki Ha;Wilt Michael J.
    • Geophysics and Geophysical Exploration
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    • v.7 no.1
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    • pp.51-55
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    • 2004
  • This paper presents a fast and stable imaging scheme using the localized nonlinear (LN) approximation of integral equation (IE) solutions for inverting electromagnetic data obtained in a crosswell survey. The medium is assumed to be cylindrically symmetric about a source borehole, and to maintain the symmetry a vertical magnetic dipole is used as a source. To find an optimum balance between data fitting and smoothness constraint, we introduce an automatic selection scheme for a Lagrange multiplier, which is sought at each iteration with a least misfit criterion. In this selection scheme, the IE algorithm is quite attractive for saving computing time because Green's functions, whose calculation is a most time-consuming part in IE methods, are repeatedly re-usable throughout the inversion process. The inversion scheme using the LN approximation has been tested to show its stability and efficiency, using both synthetic and field data. The inverted image derived from the field data, collected in a pilot experiment of water-flood monitoring in an oil field, is successfully compared with that derived by a 2.5-dimensional inversion scheme.

Geomagnetic Paleosecular Variation in the Korean Peninsula during the First Six Centuries (기원후 600년간 한반도 지구 자기장 고영년변화)

  • Park, Jong kyu;Park, Yong-Hee
    • The Journal of Engineering Geology
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    • v.32 no.4
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    • pp.611-625
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    • 2022
  • One of the applications of geomagnetic paleo-secular variation (PSV) is the age dating of archeological remains (i.e., the archeomagnetic dating technique). This application requires the local model of PSV that reflects non-dipole fields with regional differences. Until now, the tentative Korean paleosecular variation (t-KPSV) calculated based on JPSV (SW Japanese PSV) has been applied as a reference curve for individual archeomagnetic directions in Korea. However, it is less reliable due to regional differences in the non-dipole magnetic field. Here, we present PSV curves for AD 1 to 600, corresponding to the Korean Three Kingdoms (including the Proto Three Kingdoms) Period, using the results of archeomagnetic studies in the Korean Peninsula and published research data. Then we compare our PSV with the global geomagnetic prediction model and t-KPSV. A total of 49 reliable archeomagnetic directional data from 16 regions were compiled for our PSV. In detail, each data showed statistical consistency (N > 6, 𝛼95 < 7.8°, and k > 57.8) and had radiocarbon or archeological ages in the range of AD 1 to 600 years with less than ±200 years error range. The compiled PSV for the initial six centuries (KPSV0.6k) showed declination and inclination in the range of 341.7° to 20.1° and 43.5° to 60.3°, respectively. Compared to the t-KPSV, our curve revealed different variation patterns both in declination and inclination. On the other hand, KPSV0.6k and global geomagnetic prediction models (ARCH3K.1, CALS3K.4, and SED3K.1) revealed consistent variation trends during the first six centennials. In particular, the ARCH3K.1 showed the best fitting with our KPSV0.6k. These results indicate that contribution of the non-dipole field to Korea and Japan is quite different, despite their geographical proximity. Moreover, the compilation of archeomagnetic data from the Korea territory is essential to build a reliable PSV curve for an age dating tool. Lastly, we double-check the reliability of our KPSV0.6k by showing a good fitting of newly acquired age-controlled archeomagnetic data on our curve.

Solvation in Mixed Solvent (III). Solvatochromic Analysis for the Solvent Effect of Binary Mixed Solvent (혼합용매에서의 용매화 (제3보). 이성분 혼합용매 중에서 용매효과에 대한 분광용매화 분석)

  • Lee, Ik-Choon;La, Sang-Mu;Lee, Bon-Su;Sohn, Se-Chul
    • Journal of the Korean Chemical Society
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    • v.28 no.4
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    • pp.210-216
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    • 1984
  • Solvatochromic comparison methods were applied to determine Taft's solvent parameters, ${\pi}^{\ast}$(solvent polarity-polarizability), ${\alpha}$(solvent hydrogen bond donor acidity) and ${\beta}$ (solvent hydrogen bond acceptor basicity) for MeOH-MeCN solvent mixtures. Swain's solvent parameters A(anion solvation scale) and B(cation solvation scale) were also determined by least square fitting of kinetic data in the same binary solvent mixtures. It was found that: (i)${\beta}$ depends on the basicity of the solvent and increases with the MeOH content owing to the increase in polymeric structure of methanol; (ii) ${\pi}^{\ast}$depends on the dipole moment of the solvent and increases with the MeCN content of the solvent; (iii) ${\alpha}$ increases rapidly with the MeOH content as the hydrogen bond donor acidity of the solvent mixtures increases. Taft's reaction constants a and s and Swain's reaction constants a and b were determined for the reactions reported from our laboratory previously using solvent parameters determined in this work. No meaningful inter-relationship was found between the two set of reaction parameters, but a good linear correlation was found between the ratios a/s and a/b. Solvent effect on the reaction mechanism, substituent effect and leaving group ability were examined in the light of these reaction constants ratios.

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A non-merging data analysis method to localize brain source for gait-related EEG (보행 관련 뇌파의 신호원 추정을 위한 비통합 데이터 분석 방법)

  • Song, Minsu;Jung, Jiuk;Jee, In-Hyeog;Chu, Jun-Uk
    • Journal of IKEEE
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    • v.25 no.4
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    • pp.679-688
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    • 2021
  • Gait is an evaluation index used in various clinical area including brain nervous system diseases. Signal source localizing and time-frequency analysis are mainly used after extracting independent components for Electroencephalogram data as a method of measuring and analyzing brain activation related to gait. Existing treadmill-based walking EEG analysis performs signal preprocessing, independent component analysis(ICA), and source localizing by merging data after the multiple EEG measurements, and extracts representative component clusters through inter-subject clustering. In this study we propose an analysis method, without merging to single dataset, that performs signal preprocessing, ICA, and source localization on each measurements, and inter-subject clustering is conducted for ICs extracted from all subjects. The effect of data merging on the IC clustering and time-frequency analysis was investigated for the proposed method and two conventional methods. As a result, it was confirmed that a more subdivided gait-related brain signal component was derived from the proposed "non-merging" method (4 clusters) despite the small number of subjects, than conventional method (2 clusters).