• Journal of Radiation Protection and Research
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• 제47권3호
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• pp.143-151
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• 2022

Background: After the Fukushima Daiichi Nuclear Power Plant (FDNPP) accident, biological alterations in the natural biota, including morphological changes of fir trees in forests surrounding the power plant, have been reported. Focusing on the terminal buds involved in the morphological formation of fir trees, this study developed a method for estimating the absorbed radiation dose rate using radionuclide distribution measurements from tree organs. Materials and Methods: A phantom composed of three-dimensional (3D) tree organs was constructed for the three upper whorls of the fir tree. A terminal bud was evaluated using Monte Carlo simulations for the absorbed dose rate of radionuclides in the tree organs of the whorls. Evaluation of the absorbed dose targeted ¹³¹I, ¹³⁴Cs, and ¹³⁷Cs, the main radionuclides subsequent to the FDNPP accident. The dose contribution from each tree organ was calculated separately using dose coefficients (DC), which express the ratio between the average activity concentration of a radionuclide in each tree organ and the dose rate at the terminal bud. Results and Discussion: The dose estimation indicated that the radionuclides in the terminal bud and bud scale contributed to the absorbed dose rate mainly by beta rays, whereas those in 1-year-old trunk/branches and leaves were contributed by gamma rays. However, the dose contribution from radionuclides in the lower trunk/branches and leaves was negligible. Conclusion: The fir tree model provides organ-specific DC values, which are satisfactory for the practical calculation of the absorbed dose rate of radiation from inside the tree. These calculations are based on the measurement of radionuclide concentrations in tree organs on the 1-year-old leader shoots of fir trees. With the addition of direct gamma ray measurements of the absorbed dose rate from the tree environment, the total absorbed dose rate was estimated in the terminal bud of fir trees in contaminated forests.

• Bulletin of the Korean Chemical Society
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• 제35권6호
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• pp.1697-1702
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• 2014

A novel complex [$Zn(phen)(o-AB)_2$] [phen: 1,10-phenanthroline o-AB: o-aminobenzoic acid] was synthesized and characterized by elemental analysis and X-ray diffraction single-crystal analysis. The crystal crystallizes in monoclinic, space group P2(1)/c with $a=7.6397(6){\AA}$, $b=16.8761(18){\AA}$, $c=17.7713(19){\AA}$, ${\alpha}=90^{\circ}$, ${\beta}=98.9570(10)^{\circ}$, ${\gamma}=90^{\circ}$, $V=2.2633(4)nm^3$, Z = 4, F(000) = 1064, S = 1.058, $Dc=1.520g{\cdot}cm^{-3}$, $R_1=0.0412$, $wR_2=0.0948$, ${\mu}=1.128mm^{-1}$. The Zn(II) is six coordinated by two nitrogen and four oxygen atoms from the 1,10-phenanthroline and o-aminobenzoic acid to furnish a distorted octahedron geometry. The complex exhibits intense fluorescence at room temperature. Theoretical studies of the title complex were carried out by density functional theory (DFT) B3LYP method. CCDC: 898291.

• 대한화학회지
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• 제64권6호
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• pp.350-353
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• 2020

물 분자내의 OH 신축진동(stretching vibration) 운동을 나타내는 정규모드(normal mode)와 국소모드(local mode) 진동수들을 비교하여 수소결합한 물 분자에 대한 국소모드에 기반한 계산의 타당성을 조사하였다. 물 분자의 단량체, 이합체, 삼량체에 대한 계산을 수행하여 분자 클러스터 크기가 커짐에 따라 국소모드 진동수, 국소모드의 비조화성, 그리고 국소모드와 정규모드 진동수들의 유사성이 어떤 경향성을 보이는지 순이론적 양자화학 계산 방법으로 연구하였다. 단량체에서 삼량체로 분자의 갯수가 증가할수록 OH 결합의 비조화성은 증가하며 국소모드와 정규모드 진동수 간의 차이는 줄어드는 것으로 나타났다. 따라서, 응축상에 존재하는 물 분자들의 OH 신축 진동수의 이론적 계산은 비조화성을 쉽게 다룰 수 있는 국소모드에 기반한 방식이 적절할 수 있음을 확인하였다.

• Nuclear Engineering and Technology
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• 제56권2호
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• pp.715-727
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• 2024

During fast neutron imaging, besides the dark current noise and readout noise of the CCD camera, the main noise in fast neutron imaging comes from high-energy gamma rays generated by neutron nuclear reactions in and around the experimental setup. These high-energy gamma rays result in the presence of high-density gamma white spots (GWS) in the fast neutron image. Due to the microscopic quantum characteristics of the neutron beam itself and environmental scattering effects, fast neutron images typically exhibit a mixture of Gaussian noise. Existing denoising methods in neutron images are difficult to handle when dealing with a mixture of GWS and Gaussian noise. Herein we put forward a deep learning approach based on the Swin Transformer UNet (SUNet) model to remove high-density GWS-Gaussian mixture noise from fast neutron images. The improved denoising model utilizes a customized loss function for training, which combines perceptual loss and mean squared error loss to avoid grid-like artifacts caused by using a single perceptual loss. To address the high cost of acquiring real fast neutron images, this study introduces Monte Carlo method to simulate noise data with GWS characteristics by computing the interaction between gamma rays and sensors based on the principle of GWS generation. Ultimately, the experimental scenarios involving simulated neutron noise images and real fast neutron images demonstrate that the proposed method not only improves the quality and signal-to-noise ratio of fast neutron images but also preserves the details of the original images during denoising.

• Bulletin of the Korean Chemical Society
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• 제23권2호
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• pp.195-200
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• 2002

Fluorescence excitation spectrum of the trans.trans-1,3,5,7-octatetraene(OT)-Xe van der Waals clusters formed in supersonic jet expansions has been obtained. The transition lines corresponding to the van der Waals cluters of OT with Xe are observed in the lower frequency side of the OT band origin. Based on the spectral shifts, fluorescence lifetimes, and concentration dependence of the peak intensities, most of the transition lines are assigned to the $OT-Xe_n$ (n = 1, 2, 3, 4) clusters. Long progressions of a van der Waals vibrational mode are observed for n = 1, 2, 3 and 4 clusters and assigned to rocking of the OT moiety with respect to the Xe atom with the help of ab initio quantum mechanical calculation.

• Bulletin of the Korean Chemical Society
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• 제34권12호
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• pp.3727-3732
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• 2013

The interaction between metalloporphyrins and diazine tautomers was investigated using quantum chemistry method. The results showed that the metal atom in the metalloporphyrin was not coplanar with porphin ring, and zinc porphyrin has the most extent of its non-coplanar nature. The most stable complex in nine complexes was iron porphyrin. NBO analysis indicated that the interaction between the lone pair of electrons on the nitrogen atom and the unoccupied lone pair orbital of metal contributes significantly to the stability of the complexes. Through the conceptual DFT parameter and Fukui dual descriptor, the thermodynamic stability and reactivity of complexes were analyzed. The density difference function (DDF) analyzes were performed to explore the rearrangement of electronic density after the coordination interaction. NICS calculation indicated that metalloporphyrin aromaticity was reduced after the coordination interaction, and aromaticity of diazine tautomer was increased along direction vector of the coordination interaction force.

• 한국세라믹학회지
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• 제40권8호
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• pp.725-729
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• 2003

The fluorine doping along with heavy metal oxides remarkably raised the $^3$H$_4$ lifetime and the quantum efficiency in Tm$^{3+}$-doped silicate glasses. 29 mol% of fluorine substitution for oxygen in 70SiO$_2$-15Pbo-12ZnO-3KO$_{1}$2/ glass raised $^3$H$_4$ lifetime to 193 $mutextrm{s}$. Refractive indices were raised by heavy metal oxide substitution, but hardly changed by fluorine substitution. The fluorine doping changed the local structure around Tm$^{3+}$ions, then low energy vibrations related to fluorine are considered to largely reduce the multi-phonon relaxation rates in the oxyfluoride silicate glasses. The $^3$H$_4$ lifetimes and absorption and emission spectra of Tm$^{3+}$doped silicate and oxyfluoride silicate glasses are reported, and Judd-Ofelt calculation results are discussed in this paper.

• 한국통신학회논문지
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• 제28권6C호
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• pp.570-579
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• 2003

본 논문에서는 펄스 위치 변조를 사용하는 직접 검파 광통신 채널에서의 터보부호의 성능에 대하여 연구한다. 직접 검파기로서는 이상적인 광자 계수기를 사용하는 경우를 가정하며, 채널 잡음으로는 양자 잡음뿐 만 아니라 배경 잡음도 있는 경우를 가정한다. 즉 사용된 채널 모델은 M-ary PPM Poisson 채널이다. 이 채널에 터보 부호를 적용하기 위한 송수신기의 구조를 제시하고, 또한 제안된 터보 부호화 시스템을 위한 터보 복호 알고리즘을 유도한다. 복호 알고리즘의 유도는 기존의 AWGN 채널을 위한 터보 복호 알고리즘에서 가지 메트릭 연산 부분을 수정함으로써 얻어진다. 이론적인 비트 에러 확률 상한 값의 유도 및 컴퓨터 시뮬레이션의 실행을 통하여, 제안된 터보 부호화 방식의 성능을 분석하고 그 결과를 Reed-Solomon 부호 및 길쌈 부호의 성능과 비교한다.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2011년도 제40회 동계학술대회 초록집
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• pp.438-438
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• 2011

White light-emitting diodes (LEDs), the so-called next-generation solid-state lighting, offer benefits in terms of reliability, energy-saving, maintenance, safety, lead-free, and eco-friendly. Recently, rare-earth-doped oxynitride or nitride compounds have attracted a great deal of interest as a photoluminescent material because of their unique luminescent property, especially for white LEDs applications. Ce doped ${\beta}$-SiAlON has been studied as a wavelength conversion phosphor in white LEDs thanks to its high absorption rates, high quantum efficiency, and excellent thermal stability. Previously researches were not enough to understand the detail mechanism and characteristics of ${\beta}$-SiALON. The bandgap structures and electronic structures were not exact due to limitation of calculation methods. In this study, to elucidate the Ce doping effect on the SiAlON system, accurate band structures and electronic structure of the Ce doped ${\beta}$-SiAlON was intensively investigated using density functional theory calculations. In order to get a better description of the band gaps, MBJLDA method were used. We have found a single Ce atom site in ${\beta}$-SiAlON super cell. Furthermore, the density of state, band structure and lattice constant were intensively investigated.

• EDISON SW 활용 경진대회 논문집
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• 제3회(2014년)
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• pp.399-408
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• 2014

신약을 개발하거나 단백질 구조를 예측하는데 Molecular Mechanics (MM)의 방법을 사용한다. 하지만, MM 만으로는 자연현상에서 일어나는 결과를 정확하게 기술하기 어렵다. 본 연구는 기존의 MM 방법으로는 정확히 예측이 불가능한 비 공유결합 중 하나인 ${\pi}-{\pi}$ interaction을 양자역학 계산을 통해 정확한 예측이 가능한지 알아보았다. ${\pi}-{\pi}$ interaction이란 생채 내, 의약 화합물에서 발견되는 결합이기 때문에, 단백질과 결합하는 구조의 예측에 중요하다고 할 수 있다. 본 실험은 ${\pi}-{\pi}$ interaction을 갖는 Sandwich, T shape, 그리고 Parallel displaced 세 가지 모형과 각각의 모형 아래에 분자를 하나 더 쌓은 모형을 추가하여 양자역학 재산을 수행하였다. 양자역학 계산은 DFT의 세가지 함수 M06_2X, M05_2X, B3LYP를 이용하였다. 실험결과에서 세 가지 함수가 각기 다른 결과를 보였는데, 상대적으로 B3LYP의 경우에는 세가지 모델에서 모두 제대로 된 에너지 변화를 계산하지 못하였으며, M06_2X와 M05_2X의 결과에서는 거리에 따른 ${\pi}-{\pi}$ interaction 에너지의 변화를 정확하게 계산하였다. 이러한 결과를 바탕으로, 양자역학의 방법을 통해 MM에서는 예측이 불가능한 ${\pi}-{\pi}$ interaction을 계산 할 수 있고 이 부분을 고려하여 화합물 간의 결합구조를 예측을 향상시킬 수 있다.