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Memory Equations for Kinetics of Diffusion-Influenced Reactions
Yang, Mino Korean Chemical Society 2006 Bulletin of the Korean Chemical Society Vol.27 No.10
A many-body master equation is constructed by incorporating stochastic terms responsible for chemical reactions into the many-body Smoluchowski equation. Two forms of Langevin-type of memory equations describing the time evolution of dynamical variables under the influence of time-independent perturbation with an arbitrary intensity are derived. One form is convenient in obtaining the dynamics approaching the steady-state attained by the perturbation and the other in describing the fluctuation dynamics at the steady-state and consequently in obtaining the linear response of the system at the steady-state to time-dependent perturbation. In both cases, the kinetics of statistical averages of variables is found to be obtained by analyzing the dynamics of time-correlation functions of the variables.
Signatures of coherent vibrational energy transfer in IR and Raman line shapes for liquid water
Yang, Mino,Skinner, J. L. Royal Society of Chemistry 2010 Physical chemistry chemical physics Vol.12 No.4
<P>We calculate theoretical IR and Raman line shapes for the OH stretch region of liquid water, using mixed quantum/classical and electronic-structure/molecular-dynamics methods. Our approach improves upon the time-averaging approximation used earlier for the same problem, and our results are in excellent agreement with experiment. Previous analysis of theoretical results for this problem considered the extent of delocalization (over local OH stretch excitations) of the instantaneous vibrational eigenstates. In this work we present a complementary analysis in the time-domain, by decomposing the appropriate response functions into diagonal and off-diagonal contributions (in the local mode basis). Our analysis indicates that all vibrational spectra show signatures of coherent vibrational energy transfer. This is manifest in different (IR, isotropic and depolarized Raman) experiments to different extents, because of the competition between coherent energy transfer and rotational disorder.</P> <P>Graphic Abstract</P><P>Time-domain analysis of theoretical line shapes calculated by mixed quantum/classical and electronic-structure/molecular-dynamics methods reveals coherent vibrational energy transfer. <IMG SRC='http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/image/GA?id=b918314k'> </P>
Spatial Distribution of Dislocations in Relation to a Substructure in High-Quality GaN Film
Yang, Mino,Kim, Chong-Don,Kim, Hee-Goo,Yang, Cheol-Woong Cambridge University Press 2013 Microscopy and microanalysis Vol.19 No.5
<B>Abstract</B><P>The dislocation distribution of high-quality single-crystal gallium nitride (GaN) films grown by the hybrid vapor phase epitaxy was analyzed. This study examined the domain structure of GaN from the dislocation distribution on the macroscale by optical microscopy. The surface structure of GaN consisted of domains with microcolumns as the substructure. The inner domains contained a lower density of dislocations but a large number of these dislocations were observed along the domain boundaries. The existence of a domain boundary structure doubly increased the total dislocation density.</P>
Yang Mino,Lee Sangyoub,Shin, Kook Joe,Choo Kwang Yul,Lee Duckhwan Korean Chemical Society 1992 Bulletin of the Korean Chemical Society Vol.13 No.3
By using the general theoretical framework proposed recently for treating the fluorescence quenching kinetics, we investigate the effect of light pulse intensity on the decay of fluorescence which follows excitation of fluorophors by the light pulse of very short but finite duration. It is seen that conventional theory breaks down when the exciting light pulse has a pulse width comparable to the fluorescent lifetime and its intensity is very high. We also find that even when the light intensity is not too high, conventional theory may fail in either of the following cases: (i) when the quencher concentration is high, (ii) when there is an attractive potential of mean force between the fluorophor and quencher, or (iii) when the energy transfer from the fluorophor to the quencher may also occur at a distance, e.g., via dipole-dipole interaction. The validity of the predictions of the present theory may thus be tested by fluorescence quenching experiments performed under such situations.
Mino Yang,Sangyoub Lee,Kim Yung Sik,Kook Joe Shin Korean Chemical Society 1989 Bulletin of the Korean Chemical Society Vol.10 No.6
A general perturbation series solution of the Smoluchowski equation is applied to investigate the rate of recombination and the remaining probability of a pair of particles in liquids. The radiative boundary condition is employed and the convergence of the perturbation series is analyzed in terms of a convergene factor in time domain. The upper bound to the error introduced by the n-th order perturbation scheme is also evaluated. The long time behaviors of the rate of recombination and the remaining probability are found to be expressed in closed forms if the perturbation series is convergent. A new and efficient method of purely numerical integration of the Smoluchowski equation is proposed and its results are compared with those obtained by the perturbation method. For the two cases where the interaction between the particles is given by (i) the Coulomb potential and (ii) the shielded Coulomb potential, the agreement between the two results is found to be excellent.
A Nonlinear Theory for the Lotka-Volterra Model with an External lnput
Mino Yang,Sangyoub Lee,Seong Keun Kim,Kook Joe Shin,Moon Hee Ryu,Song Hi Lee,Dong J. Lee Korean Chemical Society 1992 Bulletin of the Korean Chemical Society Vol.13 No.5
A new perturbation theory called the star expansion method is used to obtain an approximate nonlinear solution of the Lotka-Volterra model under the influence of some kinds of external input. The effects of nonlinearity, amplitude and frequency of the external input on the chemical oscillations in the model are evaluated by taking specific values for the model parameters, and the results are discussed in detail.
Effects of Light Intensity on the Steady-State Fluorescence Quenching Kinetics
Mino Yang,Sangyoub Lee,Kook Joe Shin,Kwang Yul Choo,Duckhwan Lee Korean Chemical Society 1991 Bulletin of the Korean Chemical Society Vol.12 No.4
Effects of light intensity on the steady-state fluorescence quenching kinetics are examined for general cases where the bimolecular quenching can occur via long-range energy transfer processes and the potential of mean force between the energy donor and acceptor molecules is not negligible. Approximate analytic expressions are derived for the steady-state quenching rate constant and for the ratio of the steady-state intensity of unquenched to quenched fluorescence. The analytic results are compared with the exact results obtained from numerical analysis and the results of conventional theories.
Yang, Mino,Lee, Jun-Ho,Kim, Hee-Goo,Kim, Euna,Kwon, Young-Nam,Kim, Jin-Gyu,Yang, Cheol-Woong Cambridge University Press 2013 Microscopy and microanalysis Vol.19 No.5
<B>Abstract</B><P>Distribution of wax in laser printer toner was observed using an ultra-high-voltage (UHV) and a medium-voltage transmission electron microscope (TEM). As the radius of the wax spans a hundred to greater than a thousand nanometers, its three-dimensional recognition via TEM requires large depth of focus (DOF) for a volumetric specimen. A tomogram with a series of the captured images would allow the determination of their spatial distribution. In this study, bright-field (BF) images acquired with UHV-TEM at a high tilt angle prevented the construction of the tomogram. Conversely, the Z-contrast images acquired by the medium-voltage TEM produced a successful tomogram. The spatial resolution for both is discussed, illustrating that the image degradation was primarily caused by beam divergence of the Z-contrast image and the combination of DOF and chromatic aberration of the BF image from the UHV-TEM.</P>
Validity of Förster Theory for Vibrational Energy Transfer in Low-Dimensional Water
American Chemical Society 2015 The Journal of physical chemistry B Vol.119 No.50
<P>Kinetics of vibrational Förster resonance energy transfer between the OH bonds of one-, two-, and three-dimensional liquid water is modeled by a Förster type of theory reflecting the excluded volume of intermolecular pairs of the bonds. When the size of excluded volume is comparable to so-called Förster radius of the bonds, the energy transfer kinetics is delayed from the prediction of Förster theory. The delay persists longer in the lower dimensions and results in the quantum yield of energy transfer to deviate more largely from the prediction of Förster theory. The excluded volume which is not taken into account by Förster theory is a critical factor for the correct description of vibrational Förster resonance energy transfer particularly in low-dimensional water.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jpcbfk/2015/jpcbfk.2015.119.issue-50/acs.jpcb.5b10371/production/images/medium/jp-2015-10371n_0006.gif'></P>