• Journal of Mechanical Science and Technology
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• v.20 no.8
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• pp.1139-1148
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• 2006

This paper addresses the analytical modeling and dynamic response of the advanced composite rotating blade modeled as thin-walled beams and incorporating viscoelastic material. The blade model incorporates non-classical features such as anisotropy, transverse shear, rotary inertia and includes the centrifugal and coriolis force fields. The dual technology including structural tailoring and passive damping technology is implemented in order to enhance the vibrational characteristics of the blade. Whereas structural tailoring methodology uses the directionality properties of advanced composite materials, the passive material technology exploits the damping capabilities of viscoelastic material (VEM) embedded into the host structure. The VEM layer damping treatment is modeled by using the Golla-Hughes-McTavish (GHM) method, which is employed to account for the frequency-dependent characteristics of the VEM. The case of VEM spread over the entire span of the structure is considered. The displayed numerical results provide a comprehensive picture of the synergistic implications of both techniques, namely, the tailoring and damping technology on the dynamic response of a rotating thin-walled b ε am exposed to external time-dependent excitations.

• International Journal of Aeronautical and Space Sciences
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• v.16 no.3
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• pp.347-359
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• 2015

A method of describing the rovibrational energy transitions and coupled chemical reactions in the direct simulation Monte Carlo (DSMC) calculations is constructed for $H(^2S)+H_2(X^1{\Sigma}_g)$ and $He(^1S)+H_2(X^1{\Sigma}_g)$. First, the state-specific total cross sections for each rovibrational states are proposed to describe the state-resolved elastic collisions. The state-resolved method is constructed to describe the rotational-vibrational-translational (RVT) energy transitions and coupled chemical reactions by these state-specific total cross sections and the rovibrational state-to-state transition cross sections of bound-bound and bound-free transitions. The RVT energy transitions and coupled chemical reactions are calculated by the state-resolved method in various heat bath conditions without relying on a macroscopic properties and phenomenological models of the DSMC. In nonequilibrium heat bath calculations, the state-resolved method are validated with those of the master equation calculations and the existing shock-tube experimental data. In bound-free transitions, the parameters of the existing chemical reaction models of the DSMC are proposed through the calibrations in the thermochemical nonequilibrium conditions. When the bound-free transition component of the state-resolved method is replaced by the existing chemical reaction models, the same agreement can be obtained except total collision energy model.

• Textile Coloration and Finishing
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• v.27 no.4
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• pp.270-274
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• 2015

Molecules always show broad absorption band envelopes, and this results from the vibrational properties of bonds. The width of an absorption band can have an important influence on the color of a dye. A narrow band imparts a bright, spectrally pure color to the dye, whereas a broad band can give the same hue, but with a much duller appearance. Typically, half-band widths of cyanine dyes are about 25nm compared to value of over 50nm for typical merocyanine dyes. Thus, cyanine dyes are exceptionally bright. The factors influencing the width of an absorption band can be understood with reference to the Morse curves. The width of the absorption band depends on how closely the bond order of the molecules in the first excited state resembles that in the ground state. We have quantitatively evaluated the "molecular structure-absorption band shape" relationship of dye molecules by means of Pariser-Parr-Pople Molecular Orbital Method(PPP-MO).

• Journal of the Korean Society of Industry Convergence
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• v.10 no.1
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• pp.27-32
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• 2007

It has been recently reported that the SERS (Surface Enhanced Raman Scattering) effect of the silver mirror substrate made by Tollen's method is much superior to that of other substrates. In this study, the experiments for comparison of surface enhancement of silver sol and silver mirror substrates were done, where we checked the characteristics of silver mirror substrate made by Tollen's method. The surface enhancement of fluorescein was analyzed by silver sol and silver mirror substrates. We observed the SERS spectra of fluorescein. The assignments of the vibrational bands shown in SERS spectra are given based on both literature and the semi-empirical calculations at the PM3 methods. The surface enhancement properties for fluorescein showed that the silver mirror was more superior to sliver sol substrates. Spectra of fluorescein revealed that fluorescein was adsorbed on silver surfaces by a common oxygen atom. According to the 'surface selection rule', the vibrations in the band intensities reflect the adsorption orientation of the molecule on to the surface of SERS substrates. Therefore, we deduced that the adsorption orientation of fluorescein was little tilted perpendicular to the silver surfaces by using of the surface selection rules.

• Bulletin of the Korean Chemical Society
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• v.30 no.10
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• pp.2233-2239
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• 2009

In the present study, firstly, the variations of the geometric parameters induced by different substituents on boroxine skeleton (symmetrically H, $CH_3$, Cl, F, $NO_2$ substituted boroxines) are investigated by using B3LYP/6-31G(d,p), RHF/6-31G(d,p), and MP2/6-31G(d,p) levels of the theory. The second objective is to estimate the substituent effect on the molecular aromaticity of boroxine derivatives using energetic and NICS criteria. Moreover, the effects of different theoretical levels on NICS values have been investigated in a systematic approach. Lastly, a rotational analysis has been performed to investigate the effect of rotation around the B-Me and B-$NO_2$ bonds on total energy of the system. It has been found that electron withdrawing substituents contribute the aromaticity of boroxine affirmatively. Conversely, electron donors make the system less aromatic. Also, the theoretical vibrational spectra for these boroxine derivatives are presented and compared with the experimental data from the literature.

• Bulletin of the Korean Chemical Society
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• v.28 no.9
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• pp.1539-1544
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• 2007

1-Phenyl-3-p-fluorophenyl-5-p-chlorophenyl-2-pyrazoline has been synthesized and characterized by elemental analysis, IR, UV-Vis and X-ray single crystal diffraction. Density functional calculations show that B3LYP/6-311G** method can reproduce the structural parameters. The electronic absorption spectra have been predicted based on the optimized structure by using 6-311G** and 6-311++G** basis sets and compared with the experimental values. The results indicate that TD-DFT method can only predict the electronic absorption spectra of the system studied here approximately. On the basis of vibrational analyses, the thermodynamic properties of the title compound at different temperatures have been calculated, revealing the correlations between ,C0p,m,S0m,H0m and temperature.

• Bulletin of the Korean Chemical Society
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• v.31 no.10
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• pp.2897-2902
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• 2010

Seven fully optimized geometries of 3,6-dihydrazino-1,2,4,5-tetrazine (DHT) dimers have been obtained with density functional theory (DFT) method at the B3LYP/$6-311++G^{**}$ level. The intermolecular interaction energy was calculated with zero point energy (ZPE) correction and basis set superposition error (BSSE) correction. The greatest corrected intermolecular interaction energy of the dimers is $-23.69\;kJ{\cdot}mol^{-1}$. Natural bond orbital (NBO) analysis is performed to reveal the origin of the interaction. Based on the vibrational analysis, the changes of thermodynamic properties from the monomers to dimer with the temperature ranging from 200.0 K to 800.0 K have been obtained using the statistical thermodynamic method. It was found that the hydrogen bonds dominantly contribute to the dimers, while the binding energies are not only determined by hydrogen bonding. The dimerization process can not occur spontaneously at given temperatures.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.22 no.1
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• pp.47-52
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• 2009

We studied the electrical characteristics of low-k SiOCH interlayer dielectric(ILD) films fabricated by plasma enhanced chemical vapor deposition (PECVD). BTMSM precursor was evaporated and introduced with the flow rates from 16 sccm to 25 sccm by 1 sccm step with the constant flow rate of 60 sccm $O_2$ in process chamber. The vibrational groups of SiOCH thin films were analyzed by FT!IR absorption lines, and the dielectric constant of the low-k SiOCH thin films were obtained by measuring C-V characteristic curves. The heat treatment on SiOCH thin films reduced the FTIR absorption intensity of the Si-O-$CH_3$ bonding group and Si-$CH_3$ bonding group but increased the intensity of Si-O-Si(C) bonding group. The SiOCH ILD films could have low dielectric constant $k\;{\simeq}\;2$ and also be reduced further by decreasing the $CH_3$ group density and increasing Si-O-Si(C) group density through annealing process.

• Bulletin of the Korean Chemical Society
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• v.33 no.4
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• pp.1213-1219
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• 2012

The reorganization energy and the spectroscopic properties of 2,6-bis(5'-hexyl-thieno[3,2-b]thiophene-2'- yl)naphthalene (DH-TNT) and 2,6-bis(5'-hexyl-thieno[3,2-b]thiophene-2'-yl)anthracene (DH-TAT), which are composed of an acene unit and alkylated thienothiophene on both sides, as organic materials for display devices were calculated and the results were compared with experimental values. The lower reorganization energy of the DH-TAT over the DH-TNT calculated by the density functional theory is attributed to a smaller vibrational distortion because of the heavier building block of DH-TAT, and it shows a good field effect performance over the DH-TNT. The calculated spectra and the other spectroscopic characteristic of the compounds are well consistent with those of observed results.

• Smart Structures and Systems
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• v.18 no.2
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• pp.335-354
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• 2016

This contribution presents an extended one-dimensional theory for piezoelectric beam-type structures with non-ideal electrodes. For these types of electrodes the equipotential area condition is not satisfied. The main motivation of our research is originated from passive vibration control: when an elastic structure is covered by several piezoelectric patches that are linked via resistances and inductances, vibrational energy is efficiently dissipated if the electric network is properly designed. Assuming infinitely small piezoelectric patches that are connected by an infinite number of electrical, in particular resistive and inductive elements, one obtains the Telegrapher's equation for the voltage across the piezoelectric transducer. Embedding this outcome into the framework of Bernoulli-Euler, the final equations are coupled to the wave equations for the longitudinal motion of a bar and to the partial differential equations for the lateral motion of the beam. We present results for the wave propagation of a longitudinal bar for several types of electrode properties. The frequency spectra are computed (phase angle, wave number, wave speed), which point out the effect of resistive and inductive electrodes on wave characteristics. Our results show that electrical damping due to the resistivity of the electrodes is different from internal (=strain velocity dependent) or external (=velocity dependent) mechanical damping. Finally, results are presented, when the structure is excited by a harmonic single force, yielding that resistive-inductive electrodes are suitable candidates for passive vibration control that might be of great interest for practical applications in the future.