• Structural Engineering and Mechanics
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• v.3 no.3
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• pp.273-287
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• 1995

Stochastic response of systems to random excitation can be estimated by direct integration methods in the time domain such as the stochastic central difference method (SCDM). In this paper, the SCDM is applied to compute the variance and covariance in response of linear and nonlinear structures subjected to random excitation. The accuracy of the SCDM is assessed using two-DOF systems with both deterministic and random material properties excited by white noise. For the former case, closed-form solutions can be obtained. Numerical results also are presented for a simply supported geometrically nonlinear beam. The stiffness of this beam is modeled as a random field, and the beam is idealized by the stochastic finite element method. A perturbation technique is applied to formulate the equations of motion of the system, and the dynamic structural response statistics are obtained in a time domain analysis. The effect of variations in structural parameters and the numerical stability of the SCDM also are examined.

• Journal of the Korean Physical Society
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• v.73 no.10
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• pp.1479-1485
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• 2018

A number of experiments have been performed on light slowing and stopping in the electromagnetically induced transparency (EIT) media of hot atomic gases where the Doppler-shift may add detunings to the field frequencies in an inhomogeneous fashion. We provide here a theoretical analysis as to the effect of such a Doppler-broadened environment on the dynamics of the system in comparison to a cold atomic medium. We will show that one of the most critical factors in the formation of a stationary light pulse is the enhancement of the excited-state decay rate caused by the collisions between the atoms of the medium and the molecules of the buffer gas.

• Bulletin of the Korean Chemical Society
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• v.35 no.6
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• pp.1706-1712
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• 2014

The OH($X^2{\Pi}$, ${\upsilon}^{\prime\prime}=0,1$) internal state distribution following the reaction of electronically excited oxygen atom ($O(^1D_2)$) with cyclo-$C_3H_6$ has been measured using laser-induced fluorescence, and compared with that following the reaction of $O(^1D_2)$ with $C_3H_8$. The overall characteristics of the OH internal energy distributions for both reactions were qualitatively similar. The population propensity of the ${\Pi}(A^{\prime})$ ${\Lambda}$-doublet sub-level suggested that both reactions proceeded via an insertion/elimination mechanism. Bimodal rotational population distributions supported the existence of two parallel mechanisms for OH production, i.e., statistical insertion and nonstatistical insertion. However, detailed analysis revealed that, despite the higher exoergicity of the reaction, the rotational distribution of the OH following the reaction of $O(^1D_2)$ with $C_3H_8$ was significantly cooler than that with cyclo-$C_3H_6$, especially in the vibrational ground state. This observation was interpreted as the effect of the flexibility of the insertion complex and faster intramolecular vibrational relaxation (IVR).

• Bulletin of the Korean Chemical Society
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• v.31 no.12
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• pp.3771-3776
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• 2010

The dynamics of the $CN^-$-ligated ferric cytochrome c (CytcCN) in $D_2O$ at 283 K following Q-band photoexcitation at 575 nm was observed using femtosecond time-resolved vibrational spectroscopy. The equilibrium vibrational spectrum of the CN stretching mode of CytcCN shows two overlapping bands: one main band (82%) at $2122\;cm^{-1}$ with $23\;cm^{-1}$ full width at half maximum (fwhm) and the other band (18%) at $2116\;cm^{-1}$ with $7\;cm^{-1}$ fwhm. The time-resolved spectra show bleaching of the CN fundamental mode of CytcCN and two absorption features at lower energies. The bleach signal and both absorption features are all formed within the time resolution of the experiment (< 200 fs) and decay with a life time of 1.9 ps. One transient absorption feature, appearing immediately red to the bleach signal, results from the thermal excitation of low-frequency modes of the heme that anharmonically couple to the CN fundamental mode, thereby shifting the CN mode to lower energies. The shift of the CN mode decays with a lifetime of 2 ps, equivalent to the time scale for vibrational cooling of the low-frequency heme modes. The other transient absorption feature, which is 3.3 times weaker than the bleach signal and shifted $27\;cm^{-1}$ toward lower energies, is attributed to the CN mode in an electronically excited state where the CN bond is weakened with a lowered extinction coefficient. These observations suggest that photoexcited CytcCN mainly undergoes ultrafast radiationless relaxation, causing photo-deligation of $CN^-$ from CytcCN highly inefficient. As also observed in $CN^-$-ligated myoglobin, inefficient ligand photodissociation might be a general property of $CN^-$-ligated ferric hemes.

• Molecules and Cells
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• v.46 no.8
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• pp.513-525
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• 2023

Orange carotenoid protein (OCP) of photosynthetic cyanobacteria binds to ketocarotenoids noncovalently and absorbs excess light to protect the host organism from light-induced oxidative damage. Herein, we found that mutating valine 40 in the α3 helix of Gloeocapsa sp. PCC 7513 (GlOCP1) resulted in blue- or red-shifts of 6-20 nm in the absorption maxima of the lit forms. We analyzed the origins of absorption maxima shifts by integrating X-ray crystallography, homology modeling, molecular dynamics simulations, and hybrid quantum mechanics/molecular mechanics calculations. Our analysis suggested that the single residue mutations alter the polar environment surrounding the bound canthaxanthin, thereby modulating the degree of charge transfer in the photoexcited state of the chromophore. Our integrated investigations reveal the mechanism of color adaptation specific to OCPs and suggest a design principle for color-specific photoswitches.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.35 no.5
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• pp.299-308
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• 2022

This study was conducted to predict the tendency for heat exchange and boil-off gas (BOG) in a liquefied hydrogen tank under sloshing excitation. First, athe fluid domain excited by sloshing was modeled using a multiphase-thermal flow domain in which liquid hydrogen and hydrogen gas are in the saturated state. Both the the volume of fluid (VOF) and Eulerian-based multi-phase flow methods were applied to validate the accuracy of the pressure prediction. Second, it was indirectly shown that the fluid velocity prediction could be accurate by comparing the free surface and impact pressure from the computational fluid dynamics with those from the experimental results. Thereafter, the heat ingress from the external convective heat flux was reflected on the outer surfaces of the hydrogen tank. Eulerian-based multiphase-heat flow analysis was performed for a two-dimensional Type-C cylindrical hydrogen tank under rotational sloshing motion, and an inflation technique was applied to transform the fluid domain into a computational grid model. The heat exchange and heat flux in the hydrogen liquid-gas mixture were calculated throughout the analysis,, whereas the mass transfer and vaporization models were excluded to account for the pure heat exchange between the liquid and gas in the saturated state. In addition, forced convective heat transfer by sloshing on the inner wall of the tank was not reflected so that the heat exchange in the multiphase flow of liquid and gas could only be considered. Finally, the effect of sloshing on the amount of heat exchange between liquid and gas hydrogen was discussed. Considering the heat ingress into liquid hydrogen according to the presence/absence of a sloshing excitation, the amount of heat flux and BOG were discussed for each filling ratio.