• Structural Engineering and Mechanics
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• 제3권3호
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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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• 제73권10호
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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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• 제35권6호
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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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• 제31권12호
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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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• 제46권8호
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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.

• 한국전산구조공학회논문집
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• 제35권5호
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• pp.299-308
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• 2022

본 논문은 슬로싱 상태에 놓인 포화 상태 액체수소탱크에서 열 유속 및 BOG(Boil-off gas)의 경향을 다루고 있다. 특히, 액체-기체간의 침투 및 혼합에 의한 열 교환에 관심을 두었다. 먼저, VOF(Volume of fluid)와 Eulerian 기반의 다상 유동모델로 모형 슬로싱 실험을 모사하여 압력을 예측하고 계측된 값과 비교하였다. 자유 수면 및 충격 압력 실험 결과와 해석 결과를 비교하였으며, 유체의 속도 예측에서 정확할 수 있음을 간접적으로 증명하였다. 그리고 2차원의 Type-C 원통형 수소탱크를 대상으로 다상열유동해석을 수행하였다. 이때 포화상태에 놓인 액체 및 기체수소를 가정하고, 해석을 통해 각 상간의 혼합에 의한 열 교환의 수준을 확인하고자 하였다. 단, 상간의 열 교환만을 관심으로 두고 있었으므로 질량전달 및 기화모델은 해석에서 제외하였다. 최종적으로 상의 혼합으로 인해 액체수소로 유입되는 열 유속의 기여도에 대하여 정리하였다. 또한 액체수소로 유입되는 열 유속과 집중 질량 기반의 간이식을 통해 BOG 발생량 및 경향을 예측하고 분석하였다.