• Bulletin of the Korean Chemical Society
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• v.34 no.11
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• pp.3425-3428
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• 2013

We solve the Klein-Gordon equation with the Morse empirical potential energy model. The bound state energy equation has been obtained in terms of the supersymmetric shape invariance approach. The relativistic vibrational transition frequencies for the $X^1{\sum}^+$ state of ScI molecule have been computed by using the Morse potential model. The calculated relativistic vibrational transition frequencies are in good agreement with the experimental RKR values.

• Bulletin of the Korean Chemical Society
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• v.23 no.2
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• pp.245-252
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• 2002

The computationally simple quantum mechanical method (VSCF-DWB-IOS) has been applied to studying the Ar-$CO_2$ vibrational predissociation phenomenon. The new methodology utilizes the vibrational self-consistent field method to determine the vibrational structure of the van der Waals complex, the distorted-wave Born approximation for dissociating process, and the infinite-order sudden approximation for the continuum dissociating product of $CO_2$. The dissociation due to the coupling of the symmetric stretching vibrational motion of $CO_2$ with the motion of the Ar van der Waals mode has been extensively investigated. The lifetimes of transient excited vibrational states, linewidths of absorption peak, and the rotational state distributions of the product, $CO_2$ have been computed. It has been found that the lifetime of the Ar-$CO_2$ in excited vibrational state is very long compared with that of triatomic van der Waals complexes and the product $CO_2$ carries a major portion of dissociation energy as a rotational energy.

• Nuclear Engineering and Technology
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• v.30 no.1
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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.

• Smart Structures and Systems
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• v.32 no.6
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• pp.383-391
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• 2023

Energy harvesting in trams may become a prevalent source of passive energy generation due to the high density of vibrational energy, and this may help power structural health monitoring systems for the trams. This paper presents a broadband vibrational energy harvesting device design that utilizes a varied frequency from a tram vehicle using a 2 DOF vibrational system combined with electromagnetic energy conversion. This paper will demonstrate stepwise optimization processes to determine mechanical parameters for frequency tuning to adjust to the trams' operational conditions, and electromagnetic parameters for the whole system design to maximize power output. The initial optimization will determine 5 important design parameters in a 2 DOF vibrational system, namely the masses (m₁, m₂ (and spring constants (k₁, k₂, k₃). The second step will use these parameters as initial guesses for the second optimization which will maintain the ratios of these parameters and present electrical parameters to maximize the power output from this system. The obtained values indicated a successful demonstration of design optimization as the average power generated increased from 1.475 mW to 17.44 mW (around 12 times).

• Proceedings of the KIEE Conference
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• 1988.07a
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• pp.465-468
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• 1988

The output power is dependent of the vibrational level temperatures and wall temperature of the discharge tube in cw $CO_{2}$ lasers. The method postulates the introduction of a vibrational temperatures Ti for each vibrational mode. The vibrational and wall temperature are dertermined by the equations of the vibrational energy balance and thermal conductivity.

• International Journal of Aeronautical and Space Sciences
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• v.18 no.1
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• pp.28-37
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• 2017

Recent modeling of thermal nonequilibrium processes in simple molecules like hydrogen and nitrogen has indicated that rotational nonequilibrium becomes as important as vibrational nonequilibrium at high temperatures. In the present work, in order to analyze rovibrational nonequilibrium, the rotational mode is separated from the translational-rotational mode that is usually considered as an equilibrium mode in two- and multi-temperature models. Then, the translational, rotational, and electron-electronic-vibrational modes are considered separately in describing the thermochemical nonequilibrium of nitrogen behind a strong normal shock wave. The energy transfer for each energy mode is described by recently evaluated relaxation time parameters including the rotational-to-vibrational energy transfer. One-dimensional post-normal shock flow equations are constructed with these thermochemical models, and post-normal shock flow calculations are performed for the conditions of existing shock-tube experiments. In comparisons with the experimental measurements, it is shown that the present thermochemical model is able to describe the rotational and electron-electronic-vibrational relaxation processes of nitrogen behind a strong shock wave.

• International Journal of Naval Architecture and Ocean Engineering
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• v.10 no.5
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• pp.583-595
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• 2018

Stiffened panels are widely used in naval architecture and ocean engineering, and knowledge about their dynamic behaviour represents important issue in the design procedure. Ordinary vibration analysis consists of natural frequencies and mode shapes determination and can be extended to forced response assessment, while the Structural Intensity (SI) analysis, assessing magnitude and direction of vibrational energy flow provides information on dominant transmission paths and energy distribution including sink positions. In this paper, vibrational energy flow in stiffened panels under harmonic loading is analyzed by the SI technique employing the finite element method. Structural intensity formulation for plate and beam element is outlined, and developed system combining in-house code and general finite element tool is described. As confirmed within numerical examples, the developed tool enables separation of SI components, enabling generation of novel SI patterns and providing deeper insight in the vibrational energy flow in stiffened panels, comparing to existing works.

• Bulletin of the Korean Chemical Society
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• v.24 no.7
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• pp.986-992
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• 2003

We have calculated the probability of the OH formation and energy deposit of the reaction exothermicity in the newly formed OH, particularly in its vibrational motion, in the gas-surface reaction O(g) + H(ad)/Si → OH(g) + Si on the basis of the collision-induced Eley-Rideal mechanism. The reaction probability of the OH formation increases linearly with initial excitation of the HSi vibration. The translational and vibrational motions share most of the energy when the H-Si vibration is initially in the ground state. But, when the initial excitation increases, the vibrational energy of OH rises accordingly, while the energies shared by other motions vary only slightly. The product vibrational excitation is significant and the population distribution is inverted. Flow of energy between the reaction zone and the solid has been incorporated in trajectory calculations. The amount of energy propagated into the solid is only a few percent of the available energy released in the OH formation.

• Journal of the Korean Chemical Society
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• v.52 no.3
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• pp.322-327
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• 2008

The geometrical structure, binding energy and vibrational frequencies of HOOCl-H2O cluster were investigated with MP2/6-311G(d,p) and MP2/6-311G(2d,2p) methods. The most stable conformer is skew HOOCl-H2O cluster and the binding energy was 46~48kJ/mol. The trans HOOCl-H2O cluster is less stable than skew form, but the binding energy is big enough to stablize the complex. The vibrational frequencies of skew and trans HOOCl-H2O cluster were calculated and compared with the spectrum of HOOCl.

• Bulletin of the Korean Chemical Society
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• v.33 no.6
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• pp.1998-2004
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• 2012

We carried out DFT calculations for monohydrated sulfuric and phosphoric acids. We are interested in clusters which differ in orientation of hydrogen atoms only. Such molecular complexes are close in energy, since they lie in the vicinity of the global minimum energy structure on the flat potential energy surface. For monohydrated sulfuric acid we identified four different isomers. The monohydrated phosphoric acid forms five different conformers. These systems are difficult to study from the theoretical point of view, since binding energy differences in several cases are very small. For each structure, we calculated harmonic vibrational frequencies to be sure that if the optimized structures are at the local or global minima on the potential energy surface. The analysis of calculated -OH vibrational frequencies is useful in interpretation of infrared photodissociation spectroscopy experiments. We employed four different DFT functionals in our calculations. For each structure, we calculated binding energies, thermodynamic properties, and harmonic vibrational frequencies. Our analysis clearly shows that DFT approach is suitable for studying monohydrated inorganic acids with different hydrogen atom orientations. We carried out MP2 calculations with aug-cc-pVDZ basis set for both monohydrated acids. MP2 results serve as a benchmark for DFT calculations.