• Rapid Communication in Photoscience
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• 제4권3호
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• pp.63-66
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• 2015

When the molecule in the excited state is subject to prompt predissociation, it is quite nontrivial to obtain vibrational structure of the excited state in general. This applies to the case of photochemistry of dimethylamine (DMA:$(CH_3)_2NH$). When DMA is excited to its first electronically excited state ($S_1$), the N-H bond dissociation occurs promptly. Therefore, $S_1$ vibronic bands are homogeneously broadened to give extremely small ionization cross sections and heavily-congested spectral features, making infeasible any reasonable spectral assignment. Here, we demonstrate that the predissociation rate of the excited state could be significantly reduced by the NH/ND substitution to give the much better-resolved $S_1$ spectral feature, revealing the vibrational structure of the excited state of $DMA-d_1$ ($(CH_3)_2ND$) for the first time.

• Transactions on Electrical and Electronic Materials
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• 제2권3호
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• pp.1-6
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• 2001

A simulation method is proposed to study the amorphous structure of carbon nitride. The material properties of a non-uniform nitrogen distribution in an amorphous CN matrix can be studied. The cohesive energy of a group of randomly generated atoms can be minimized to find the relative positions of atoms. From the calculated configuration of atoms, many properties of amorphous carbon nitride can be calculated such as bulk modulus, P-V curve, sp$^3$/sp$^2$ ratio of carbon, and vibrational spectra. The calculation shows that the cohesive energy of non-uniform nitrogen distribution is lower than that of a uniform distribution. This may suggest that the regular structure of carbon nitride can at most be metastable. It is not easy to incorporate nitrogen atoms into a carbon matrix.

• 한국멀티미디어학회논문지
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• 제23권8호
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• pp.1040-1048
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• 2020

In this study, in order to improve the implantable bone conduction transducer of the prototype proposed by Shin et al., the effect of the element parameters of the transducer on the frequency characteristics was analyzed using electromagnetic and mechanical vibration analysis. Electromagnetic analysis was performed on the size of the permanent magnet and the distance between the metal plate and the coil to derive an optimal structure that generates the maximum Lorentz force. In addition, mechanical vibration analysis was performed on the cantilever structure of the vibrational membrane in order to minimize the distortion of the transducer and to have a frequency characteristic suitable for conductive hearing loss compensation. The frequency characteristics of the transducer of the optimal structure derived through finite element method were compared with the simulation results of the previous transducer. As a result, the output magnitude (displacement) of the transducer designed with the optimal structure generated an average 8.8 times higher than the previous transducer, and the resonance frequency was generated at 0.9 kHz.

• 대한화학회지
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• 제50권5호
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• pp.415-419
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• 2006

• Bulletin of the Korean Chemical Society
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• 제35권8호
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• pp.2311-2316
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• 2014

Conformations and vibrational frequencies of the racemic (2RS,3RS)-5-amino-3-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol-(I) [(2RS,3RS)-(I)], a precursor of benzovesamicol analogues, have been carried out using various DFT methods (M06-2X, B3LYP, B3PW91, PBEPBE, LSDA, and B3P86) with basis sets of 6-31G(d), 6-31+G(d,p), 6-311+G(d,p), 6-311++G(d,p), cc-pVTZ, and TZVP. The LSDA/6-31G(d) level of theory shows the best performance in reproducing the X-ray powder structure. However, the PBEPBE/cc-pVTZ level of theory is the best method to predict the vibrational frequencies of (2RS,3RS)-(I). The potential energy surfaces of racemic pairs (2RS,3RS)-(I) and -(II) are obtained at the LSDA/6-31G(d) level of theory in the gas phase and in water. The results indicate that (2RS,3RS)-(I) are more stable by ~0.75 kcal/mol in energy than (2RS,3RS)-(II) in water, whereas conformer AIIg and BIIg are more stable by ~0.04 kcal/mol than AIg in gas phase. In particular, the hydrogen bond distances between the N of piperazine and the OH of tetrahydronaphthalen become longer in gas, compared with those in the water phase. Vibrational frequencies calculated at the PBEPBE/cc-pVTZ level of theory in the gas phase are larger than those in water, whereas their intensities in the gas phase are weaker than those in water.

• Bulletin of the Korean Chemical Society
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• 제35권3호
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• pp.775-782
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• 2014

The importance of including spin-orbit interactions for the correct description of structures and vibrational frequencies of haloiodomethanes is demonstrated by density functional theory calculations with spin-orbit relativistic effective core potentials (SO-DFT). The vibrational frequencies and the molecular geometries obtained by SO-DFT calculations do not match with the experimental results as well as for other cations without significant relativistic effects. In this sense, the present data can be considered as a guideline in the development of the relativistic quantum chemical methods. The influence of spin-orbit effects on the bending frequency of the cation could well be recognized by comparing the experimental and calculated results for $CH_2BrI$ and $CH_2ClI$ cations. Spin-orbit effects on the geometries and vibrational frequencies of $CH_2XI$ (X=F, Cl, Br, and I) neutral are negligible except that C-I bond lengths of haloiodomethane neutral is slightly increased by the inclusion of spin-orbit effects. The $^2A^{\prime}$ and $^2A^{{\prime}{\prime}}$ states were found in the cations of haloiodomethanes and mix due to the spin-orbit interactions and generate two $^2E_{1/2}$ fine-structure states. The geometries of $CH_2XI^+$ (X=F and Cl) from SO-DFT calculations are roughly in the middle of two cation geometries from DFT calculations since two cation states of $CH_2XI$ (X=F and Cl) from DFT calculations are energetically close enough to mix two cation states. The geometries of $CH_2XI^+$ (X=Br and I) from SO-DFT calculations are close to that of the most stable cation from DFT calculations since two cation states of $CH_2XI$(X=Br and I) from DFT calculations are energetically well separated near the fine-structure state minimum.

• 한국소음진동공학회논문집
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• 제22권4호
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• pp.328-334
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• 2012

Power flow finite element method(PFFEM) combining power flow analysis(PFA) with finite element method is efficient for vibration analysis of a built-up structure, and power flow boundary element method(PFBEM) combining PFA with boundary element method is useful for predicting the noise level of a vibrating complex structure. In this paper, the coupled PFFE/PFBE method is used to investigate the vibration and radiated noise of the unmanned underwater vehicle(UUV) in water. PFFEM is employed to analyze the vibrational responses of the UUV, and PFBEM is applied to analyze the underwater radiation noise. The vibrational energy of the structure is treated as an acoustic intensity boundary condition of PFBEM to calculate underwater radiation noise. Numerical simulations are presented for the UUV in water, and reliable results have been obtained.

• 한국소음진동공학회논문집
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• 제18권4호
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• pp.400-410
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• 2008

Reduction of structure-borne noise in the compartment of a car is an important task in automotive engineering. Many methods which analyze noise transfer path have been generally used for structure-borne noise. These methods are useful in solving particular problem but do not quantify the effectiveness of vibration isolation for each isolator of a vehicle. To quantify the effectiveness of vibration isolation, the vibrational power flow measurement has been used for a simple isolation system or a laboratory based isolation system. This paper identifies the transfer path of booming noise in a SUV. The powertrain used for test has a in-line 4cylinder engine and 5-shift auto-transmission. This powertrain is transversely supported by four isolators. We calculated the energy flow throughout four isolator by the measurement of power flow and the contribution of energy flow at each isolator.

• Advances in nano research
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• 제10권3호
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• pp.235-251
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• 2021

In the current study, the free vibrational behavior of a Porous Micro (PM) beam which is integrated with Functionally Graded Piezoelectric (FGP) layers with initial curvature is considered based on the two trigonometric shear deformation theories namely SSDBT and Tan-SDBT. The structure's mechanical properties are varied through its thicknesses following the given functions. The curved microbeam is exposed to electro-mechanical preload and also is rested on a Pasternak type of elastic foundation. Hamilton's principle is used to extract the motion equations and the MCST is used to capture the size effect. Navier's solution method is selected as an analytical method to solve the motion equations for a simply supported ends case and by validating the results for a simpler state with previously published works, effects of different important parameters on the behavior of the structure are considered. It is found that although increasing the porosity reduces the natural frequency, but enhancing the volume fraction of CNTs increasing it. Also, by increasing the central angle of the curved beam the vibrations of the structure increases. Designing and manufacturing more efficient smart structures such as sensors and actuators are of the aims of this study.

• 대한조선학회논문집
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• 제60권1호
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• pp.20-30
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• 2023

In this paper, the Energy Flow Finite Element Analysis (EFFEA) was performed to predict the acoustic and vibrational responses of complicated plate structures considering improved Fluid-Structure Interaction (FSI). For this, a new power transfer relationship was derived at the area junction where two different fluids are in contact on both sides of the plate. In order to increase the reliability of EFFEA of complicated plate structures immersed in a high-density fluid, the corrected flexural wavenumber and group velocity considering fluid-loading effect were derived. As the specific acoustic impedance of the fluid in contact with the plate increases, the flexural wavenumber of the plate increases. As a result, the flexural group velocity is reduced, and the spatial damping effect of the flexural energy density is increased. Additionally, for the EFFEA of arbitary-shaped built-up structures, the energy flow finite element formulation for the acoustic tetrahedral element was newly performed. Finally, for validation of the derived theory and developed software, numerical applications of complicated plate structures submerged in seawater or air were successfully performed.