• Journal of the Korean Wood Science and Technology
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• v.27 no.3
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• pp.1-6
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• 1999

European spruce and maple were to be estimated as raw material of violin family instruments with linear modal analysis to provide the information data for the design of their bodies. Wood specimens cut in different direction were excited by impact hammer to measure the resonant frequency with typical vibrational modes. In spite of lower density than maple, European spruce showed the excellent acoustical properties with higher resonant frequency. And edge-grained spruce had more even frequencies than flat-grained ones to be more acceptable as front plate of violin. Resonant frequency was positively correlated with wood density of each specimen and the coefficients of edge-grained specimens were higher than those of flat-grained specimens of both wood species.

• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.4-5
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• 2010

The surface phonon is defined as a coherent vibrational excitation of surface atoms propagating along the surface. It is characterized by a phonon dispersion curves, which were extensively studied in 1990's using helium atom scattering and high-resolution electron-energy-loss spectroscopy (HREELS)[1].The understanding is mainly based on the theoretical framework of a classical bond model or cluster calculations. The recent sample preparation and first principles calculations open the naval way to deep insight for surface phonon problems. The surface phonon dispersion on the hydrogen-terminated Si(111)-($1{\times}1$) surface [H:Si(111)] is the typical system and already reported experimentally [2] and theoretically [3], although the understandingis incomplete. The sample contaminated by the oxygen atoms on the surface and the calculations were also classical. In this study, firstly, we have prepared an ultra-clean H:Si(111) surface [4] and measured the surface phonon dispersion curvesusing HREELS. Secondly, we have performed first-principles density functional calculations with the projector augmented wave functionals, as implemented in VASP, using generalized gradient approximations. We used aslab of six silicon layers and both top and bottom surfaces were terminated with hydrogen atoms. Finally, we have compared with the surface phonon dispersion of deuterium-terminatedSi(111)-($1{\times}1$) surface[5] and led to our conclusions. The Si-H stretching and the bending modes are observed at 258.5 and 78.2 meV, respectively. These energies are the same as the previously reported values [2], but the energy-loss peaks at the lower energy regions are dramatically shifted. Through this combination study, we have formulated the procedure of preparing ultra-clean H:Si(111)/D:Si(111), which was confirmed by HREELS vibrational analysis. The Si surface will be utilized for further nano-physics research as well as for the materials for nano-fubrication.

• Steel and Composite Structures
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• v.50 no.3
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• pp.347-362
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• 2024

Controlling vibrations and noise in steel box girders is important for reducing noise pollution and avoiding discomfort to residents of dwellings along bridges. The fundamental approach to solving this problem involves first identifying the main path of transmission of the vibration energy and then cutting it off by using targeted measures. However, this requires an investigation of the characteristics of flow of vibration energy in the steel box girder, whereas most studies in the area have focused on analyzing its single-point frequency response and overall vibrations. To solve this problem, this study examines the transmission of vibrations through the segments of a steel box girder when it is subjected to harmonic loads through structural intensity analysis based on standard finite element software and a post-processing code created by the authors. We identified several frequencies that dominated the vibrations of the steel box girder as well as the factors that influenced their emergence. We also assessed the contributions of a variety of vibrational waves to power flow, and the results showed that bending waves were dominant in the top plate and in-plane waves in the vertical plate of the girder. Finally, we analyzed the effects of commonly used stiffened structures and steel-concrete composite structures on the flow of vibration energy in the girder, and verified their positive impacts on energy regionalization. In addition to providing an efficient tool for the relevant analyses, the work here informs research on optimizing steel box girders to reduce vibrations and noise in them.

• Journal of the Mineralogical Society of Korea
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• v.24 no.4
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• pp.289-300
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• 2011

Atomistic origins of carbon solubility into silicates are essential to understand the effect of carbon on the properties of silicates and evolution of the Earth system through igneous and volcanic processes. Here, we investigate the atomic structure and NMR properties of dissolved carbon in enstatite using Raman spectroscopy and quantum chemical calculations. Raman spectrum for enstatite synthesized with 2.4. wt% of amorphous carbon at 1.5 GPa and $1,400^{\circ}C$ shows vibrational modes of enstatite, but does not show any vibrational modes of $CO_2$ or ${CO_3}^{2-}$. The result indicates low solubility of carbon into enstatite at a given pressure and temperature conditions. Because $^{13}C$ NMR chemical shift is sensitive to local atomic structure around carbon and we calculated $^{13}C$ NMR chemical shielding tensors for C substituted enstatite cluster as well as molecular $CO_2$ using quantum chemical calculations to give insights into $^{13}C$ NMR chemical shifts of carbon in enstatite. The result shows that $^{13}C$ NMR chemical shift of $CO_2$ is 125 ppm, consistent with previous studies. Calculated $^{13}C$ NMR chemical shift of C is ~254 ppm. The current calculation will alllow us to assign potential $^{13}C$ NMR spectra for the enstatite dissolved with carbon and thus may be useful in exploring the atomic environment of carbon.

• Journal of the Korean Chemical Society
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• v.40 no.4
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• pp.219-228
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• 1996

An ab initio molecular orbital method has been applied to investigation of molecular properties and equilibrium geometries for hexahydroxybenzene triscarbonate (C9O9) and its analogous cyclic compounds (C9S9, C9O6S3, C9O3S6). In these works, the optimized geometry of each compound has been obtained at HF and MP2 levels. These results have shown that the optimized geometries of these compounds prefer D3h planar structure to C3v bowl structure. Calculations of harmonic vibrational frequencies have been also carried out at HF/3-21G* level to analyze normal modes of these compounds. Bonding characters of these compounds are studied by Mulliken and natural populations obtained at HF/6-31G* level. We have also studied the structures and the populations of C6O6 and C6S6 at HF and MP2 levels which are obtained by pyrolyses of C9O9 and analogous compounds. In addition, the single point calculations have been performed to predict the approximate energy barrier for pyrolysis of each compound.

• Korean Journal of Materials Research
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• v.23 no.9
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• pp.537-542
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• 2013

Two types of Tb- and Na-substituted green phosphors $Ca_{(1-1.5x)}WO_4:Tb_x^{3+}$: and $Ca_{(1-2x)}WO_4:Tb_x^{3+},Na_x^+$ were synthesized with various x values, using a solid-state reaction. The former phosphors contained both substitutional and vacancy point defects, while the later had only substitutional defects. X-ray diffraction results showed that the main diffraction peak, (112), was centered at $2{\theta}=28.72^{\circ}$ and indicated that there was no basic structural deformation caused by substitutions or vacancies. The photoluminescence emission and photoluminescence excitation spectra revealed the optical properties of trivalent terbium ions, $Tb^{3+}$. Typical transitions, $^5D_3{\rightarrow}^7F_6,\;^7F_5,\;^7F_4$ and $^5D_4{\rightarrow}^7F_6,\;^7F_5,\;^7F_4,\;^7F_3$, and cross relaxations were observed. Subtle differences in the photoluminescence of green phosphors were observed as a result of the point defects. The FT-IR spectra indicated that some of the ungerade vibrational modes had shifted positions and changed shapes, spreading out over a wide range of frequencies. This change can be attributed to the different masses of $Tb^{3+}$ and $Na^+$ ions and $V_{Ca}$" vacancies compared to $Ca^{2+}$ ions. The gerade normal modes of the Raman spectra exhibited subtle differences resulting from point defects in $Ca_{(1-1.5x)}Tb_xWO_4$ and $Ca_{(1-2x)}Tb_xNa_xWO_4$.

• Bulletin of the Korean Chemical Society
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• v.35 no.3
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• pp.875-880
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• 2014

Adsorption of 4,4'-bis(mercaptomethyl)biphenyl (44BMBP) on silver nanoparticles has been investigated by surface-enhanced Raman scattering (SERS) spectroscopy. In addition, the Raman spectra of 44BMBP in solid state and in basic condition have been obtained for comparative study to elicit the characteristics of adsorption. The observed Raman and SERS spectra were analyzed comparing with the normal modes and vibrational frequencies from density functional theory (DFT) calculations performed for the feasible structures of 44BMBP molecule. On the basis of excellent agreement between the calculated and the experimental results, the molecule is found to have both the cis- and trans-forms for the mercaptomethyl groups in the solid state as well as in the basic condition. In contrast, the molecule is found to be chemisorbed on the silver surface by forming two Ag-S linkages only in the cis-form but not in the trans-form due to the steric interruption, which indicates the parallel orientation of molecules on the surface. Particularly, the spectral features in the SERS spectra such as the absence of the C-H stretching band and enhancement for the out-of-plane skeletal modes are confirmatory for the parallel geometry through ${\pi}$ interaction between the phenyl rings and the metal surface, based on the electromagnetic surface selection rule.

• The Korean Journal of Ceramics
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• v.2 no.3
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• pp.137-141
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• 1996

Ambient air aged anodically etched porous silicon (PS) and spark-processed silicon (sp-Si) show interesting similarities and dissimilarities in some of their luminescence-related properties. Among these similarties are: (1) the photoluminescence (PL) peak maximum in the blue/violet (410 nm);(2) the blue/violet PL peak positions are essentially unchanged with temperature ; (3) PL decay times in the nanosecond region which are independent of the detection wavelength, which is much faster in decay times compared to that of observed decay time in $SiO_2$.Among the dissimilarities are: (1) the PL intensity of blue/violet luminescence, namely, the PL intensity of sp-Si is at least 2 orders of magnitude larger than that of an ambient air aged PS; (2) the blue/violet PL intensity of sp-Si is more stable than that of ambient air aged PS under UV illuminations; (3) FTIR spectra of sp-Si favor those modes, which involve silicon -oxygen bonds in $SiO_2$ stoichiometry, whereas ambient air aged PS can be considered as a nonstoichiometric oxide judging from the observed vibrational spectra.

• Bulletin of the Korean Chemical Society
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• v.32 no.5
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• pp.1685-1691
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• 2011

The molecular structures of thiacalix[4]biscrown-5 (1) and p-tert-butylthiacalix[4]biscrown-5 (2) and their alkali-metal-ion complexes were optimized using the DFT BLYP/6-31G(d) and mPW1PW91/6-31G(d,p) (hybrid HF-DF) calculations. The total electronic energies, the normal vibrational modes, and the Gibbs free energies of the mono- and di-topic complexes of each host with the sodium and potassium ions were analyzed. The $K^+$-complexes exhibited relatively stronger binding efficiencies than $Na^+$-complexes for both the monoand di-topic complexes of 1 and 2 comparing the efficiencies of the sodium and potassium complexes with an anisole and phenol. The mPW1PW91/6-31G(d,p) calculated distances between the oxygen atoms and the alkali metal ions were reported in the alkali-metal-ion complexes ($1{\cdot}Na^+$, $1{\cdot}2Na^+$, $1{\cdot}K^+$, $1{\cdot}2K^+$, $2{\cdot}Na^+$, $2{\cdot}Na^+$, $2{\cdot}K^+$, $2{\cdot}2K^+$). The BLYP/6-31G(d) calculated IR spectra of the host 1 and its mono-topic alkali-metal-ion complexes are compared.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2002.11b
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• pp.1044-1048
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• 2002

The experimental modal testing has been carried out for the stator of a generator to confirm the vibrational mode shapes and the corresponding natural frequencies. The model of the stator for the vibration analysis was developed and a series of vibration analyses was carried out. And the properties of the solid element were updated to reduce the differences of the natural frequencies between the measured and the analysed. In the vibration anlyses, the axial, radial and circumferential properties of the solid element were separately varied to take into account the orthotropic effect of the laminated structure and to match the primary modes of the stator core which were extracted from the modal testing. After several attempts to match the measured natural frequencies and model shapes, the properties of the stator model were determined. Comparison of the vibration analyses results based on the determined properties showed fairly good coincidence with the measured data.