• Nuclear Engineering and Technology
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• 제30권1호
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• pp.8-16
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• 1998

In this work a method to detect the vibrational peak and to decide the vibrational mode of detected peak for core internal vibration monitoring system which is particularly concerned on the core support barrel (CSB) and fuel assemblies is developed. Flow induced vibration and aging process in the reactor internals cause unsoundness of the internal structure. In order to monitor the vibrational status of core internal, signals from the ex-core neutron detectors are transformed into frequency domain. By analyzing transformed frequency domain signal, an analyst can acquire the information on the vibrational characteristics of the structures, i.e., vibration frequencies of each component, vibrational level, modes of vibration, and the causes of the abnormal vibration, if any. This study is focused on the development of the automated monitoring system. Several methods are surveyed to define the peaks in power spectrum and fuzzy theory is used to automatic detection of the vibrational peaks. Fuzzy algorithm is adopted to define the modes of vibration using the peak values from fuzzy peak recognition, phase spectrum, and coherence spectrum.

• Bulletin of the Korean Chemical Society
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• 제19권2호
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• pp.202-206
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• 1998

The p-fluorotoluene was vibronically excited in a jet with a buffer gas He in a corona excited supersonic expansion. The vibronic emission spectrum of the jet cooled p-fluorotoluene in the transition of S1 → S0 has been recorded with a Fourier transform spectrometer in the uv region. The spectrum observed was analyzed to obtain accurate vibrational frequencies in the ground electronic state by comparing with those reported previously. The origin of the low frequency sequence bands observed in this work was discussed. Also, the absence of significant intensity of hot band resulting from the excited vibrational states in the spectrum suggests extensive vibrational cooling in the source.

• Bulletin of the Korean Chemical Society
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• 제34권2호
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• pp.553-557
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• 2013

The stretching vibration of OH of ice Ih is studied by Car-Parrinello molecular dynamics in regarding the effect of mixed H/D contamination while the vibrational spectrum is considered by velocity-velocity autocorrelations of the sampled ensemble. When hydrogen atoms are immersed randomly into the deuterated ice, a typical vibrational frequency of OH stretching mode is observed to be similar to that from the pure $H_2O$ ice. When focusing on the correlation of isolated neighboring OH stretching, a narrower and blue shifted peak is observed at the high frequency range as a result of the screening from the complex many body correlations by $D_2O$ environment. It is also specifically related to the symmetric intermolecular correlations between neighboring OH stretching modes. More enhanced high frequency range can be explained by the expansion of such two body correlations to collective many body correlations among all possible OH stretching modes. This contribution becomes important when it involves in chemical interactions via excitation of such vibrational states.

• Bulletin of the Korean Chemical Society
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• 제19권10호
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• pp.1042-1047
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• 1998

The fluorescence excitation (FE) spectrum of the S1-S0 (1B2-1A1) transition of dimethyldiazirine cooled in supersonic jet expansions has been obtained. Dispersed fluorescence (DF) spectra have also been taken for some prominent features of the FE spectrum. Vibrational analyses of the FE and DF spectra with the help of an ab initio molecular orbital calculation lead to some new vibrational assignments and refined fundamental frequencies.

• Journal of the Korean Physical Society
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• 제73권9호
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• pp.1211-1218
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• 2018

Within the framework of the modified factorization method, we solve the $Schr{\ddot{o}}dinger$ equation with the modified Yukawa potential. The energy spectrum is obtained using the Pekeris approximation scheme for the centrifugal term. The thermodynamic properties, including the vibrational partition function, vibrational mean energy, vibrational mean free energy, vibrational specific heat capacity and vibrational entropy, are calculated. As a special case, we compare our result with that work of Dong [Int. J. Quant. Chem. 107, 366 (2007)] and find good agreement.

• 대한화학회지
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• 제50권6호
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• pp.429-439
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• 2006

분광법의 하나인 합 진동수 발생 진동 분광법 (SFG-VS, sum frequency generation vibrational spectroscopy)은 표면의 분자에 대하여 선택적으로 높은 감도의 진동 스펙트럼을 제공한다. 이로 인해 SFG-VS 는 다양한 표면 연구에 이용되고 있다. 본 총설에서는 SFG-VS의 연구 대상, 실험 방법, 이론적 배경, 상업적 분광기로서의 가능성 등에 관하여 살펴보았다.

• Bulletin of the Korean Chemical Society
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• 제34권3호
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• pp.763-767
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• 2013

We resolved the controversial assignments of the visible vibronic bands observed from corona discharge of 1,2,3-trimethylbenzene. The vibronic bands belonging to the jet-cooled 2,6-dimethylbenzyl radical were clearly identified from the spectrum observed from corona discharge of 2,6-dimethylbenzyl chloride. After subtracting the bands of the 2,6-isomer from the spectrum observed from corona discharge of 1,2,3-trimethylbenzene, the vibronic bands of the 2,3-isomer were also identified. By comparing data with the known vibrational data of 1,2,3-trimethylbenzene and the results of ab initio calculations, we determined the electronic energies of the $D_1{\rightarrow}D_0$ transitions and vibrational mode frequencies in the ground electronic states of the 2,3-and 2,6-dimethylbenzyl radicals.

• 한국소음진동공학회:학술대회논문집
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• 한국소음진동공학회 1997년도 춘계학술대회논문집; 경주코오롱호텔; 22-23 May 1997
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• pp.229-234
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• 1997

The dynamic behavior of underground structures is complex due to the effects of vibrational characteristics of the structure and the rock. In this study, dynamic displacement responses at the structure surface by the elastic stress waves are considered as the vibrational characteristics, and evaluated by the form of the frequency spectrum. The variation of the vibrational characteristic is simulated by numerical analysis at the case of the structure has internal defections. The results reveals the possibility of the experimental detection of void existence and size. Furthermore, the verification of the dynamic response can be used for rating the stability of a tunnel.

• Bulletin of the Korean Chemical Society
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• 제28권2호
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• pp.235-240
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• 2007

Molecular structures were optimized for the 1,3-diethoxycalix[4]crown-5-ether (2) in the various isomers and their potassium-ion complexes by using B3LYP/6-31+G(d,p)//B1LYP/6-31G(d,p) method after ab initio RHF/6-31G calculation. The cone-shaped isomer of 2 with cr-binding mode has shown the strongest binding efficiency among the six different complexes attributed to seven electrostatic interactions between the potassium cation and the oxygen atoms of crown-5-ether and ethoxy groups of the host (2). The vibrational spectra of 2 and its K+-complexes were obtained by restricted Hartree-Fock (RHF) calculations with the 6-31G basis set. The characteristic vibrational frequencies of various C-O-C stretching and bending motions are analyzed.

• Bulletin of the Korean Chemical Society
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• 제27권6호
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• pp.881-885
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• 2006

We have employed a technique of corona excited supersonic expansion to generate electronically excited but jet-cooled o-tolunitrile. The vibronically well-resolved emission spectrum of the jet-cooled o-tolunitrile in the $S_{1}\rightarrow S_{0}$ transition was recorded in the uv region using a Fourier transform spectrometer equipped with a Quartz-uv beam splitter. The electronic transition and vibrational mode frequencies in the ground electronic state were accurately determined from the analysis of the spectra observed.