• Interaction and multiscale mechanics
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• v.4 no.4
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• pp.291-311
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• 2011

To simulate the self excited torsional vibrations of rotating drill strings (DSs) in vertical bore-holes, the nonlinear wave models of homogeneous and sectional torsional pendulums are formulated. The stated problem is shown to be of singularly perturbed type because the coefficient appearing before the second derivative of the constitutive nonlinear differential equation is small. The diapasons ${\omega}_b\leq{\omega}\leq{\omega}_l$ of angular velocity ${\omega}$ of the DS rotation are found, where the torsional auto-oscillations (of limit cycles) of the DS bit are generated. The variation of the limit cycle states, i.e. birth (${\omega}={\omega}_b$), evolution (${\omega}_b<{\omega}<{\omega}_l$) and loss (${\omega}={\omega}_l$), with the increase in angular velocity ${\omega}$ is analyzed. It is observed that firstly, at birth state of bifurcation of the limit cycle, the auto-oscillation generated proceeds in the regime of fast and slow motions (multiscale motion) with very small amplitude and it has a relaxation mode with nearly discontinuous angular velocities of elastic twisting. The vibration amplitude increases as ${\omega}$ increases, and then it decreases as ${\omega}$ approaches ${\omega}_l$. Sectional drill strings are also considered, and the conditions of the solution at the point of the upper and lower section joints are deduced. Besides, the peculiarities of the auto-oscillations of the sectional DSs are discussed.

• Bulletin of the Korean Chemical Society
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• v.25 no.8
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• pp.1217-1224
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• 2004

We have calculated the probability of HBr formation and energy disposal of the reaction exothermicity in HBr produced from the reaction of gas-phase bromine with highly covered chemisorbed hydrogen atoms on a Si (001)-(2 ${\times}$1) surface. The reaction probability is about 0.20 at gas temperature 1500 K and surface temperature 300 K. Raising the initial vibrational state of the adsorbate(H)-surface(Si) bond from the ground to v = 1, 2 and 3 states causes the vibrational, translational and rotational energies of the product HBr to increase equally. However, the vibrational and translational motions of product HBr share most of the reaction energy. Vibrational population of the HBr molecules produced from the ground state adsorbate-surface bond ($v_{HSi}$ =0) follows the Boltzmann distribution, but it deviates seriously from the Boltzmann distribution when the initial vibrational energy of the adsorbate-surface bond increases. When the vibration of the adsorbate-surface bond is in the ground state, the amount of energy dissipated into the surface is negative, while it becomes positive as vHSi increases. The energy distributions among the various modes weakly depends on surface temperature in the range of 0-600 K, regardless of the initial vibrational state of H(ad)-Si(s) bond.

• Bulletin of the Korean Chemical Society
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• v.28 no.11
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• pp.1967-1972
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• 2007

Photophysical properties of a newly-synthesized porphyrin derivative, trans-bis(ferrocene carboxylato)- (5,10,15,20-tetraphenylporphyrinato)tin(IV) [Sn(TPP)(FcCOO)2] were investigated by means of steady-state and fs-time resolved laser spectroscopic techniques, and compared with those of a standard molecule, trans-dichloro( 5,10,15,20-tetraphenyl-porphrinato)tin(IV) [Sn(TPP)Cl2]. The fluorescence spectrum of Sn(TPP)- (FcCOO)2 was observed to exhibit dual emission bands originating from the S2-state and the S1-state, which was greatly quenched as compared to those of Sn(TPP)Cl2. The fs-time resolved fluorescence and transient absorption spectroscopic measurements revealed that the fluorescence quenching is due to formation of the long-lived charge transfer state by intramolecular electron transfer from ferrocene to the S2-excited SnTPP in addition to the enhanced non-radiative deactivation processes.

• Bulletin of the Korean Chemical Society
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• v.33 no.3
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• pp.933-940
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• 2012

Recently, it has been shown that quantum coherence appears in energy transfers of various photosynthetic lightharvesting complexes at from cryogenic to even room temperatures. Because the photosynthetic systems are inherently complex, these findings have subsequently interested many researchers in the field of both experiment and theory. From the theoretical part, simplified dynamics or semiclassical approaches have been widely used. In these approaches, the quantum-classical Liouville equation (QCLE) is the fundamental starting point. Toward the semiclassical scheme, approximations are needed to simplify the equations of motion of various degrees of freedom. Here, we have adopted the Poisson bracket mapping equation (PBME) as an approximate form of QCLE and applied it to find the time evolution of the excitation in a photosynthetic complex from marine algae. The benefit of using PBME is its similarity to conventional Hamiltonian dynamics. Through this, we confirmed the coherent population transfer behaviors in short time domain as previously reported with a more accurate but more time-consuming iterative linearized density matrix approach. However, we find that the site populations do not behave according to the Boltzmann law in the long time limit. We also test the effect of adding spurious high frequency vibrations to the spectral density of the bath, and find that their existence does not alter the dynamics to any significant extent as long as the associated reorganization energy is changed not too drastically. This suggests that adopting classical trajectory based ensembles in semiclassical simulations should not influence the coherence dynamics in any practical manner, even though the classical trajectories often yield spurious high frequency vibrational features in the spectral density.

• Bulletin of the Korean Chemical Society
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• v.32 no.2
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• pp.510-514
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• 2011

Photodissociation dynamics of allyl alcohol ($H_2C$=CH-$CH_2OH$) has been investigated at 205 - 213 nm along the UV absorption band by measuring rotationally-resolved laser-induced fluorescence spectra of OH radicals. Observed energy partitioning of the available energy among products at all photon energies investigated was similar and the barrier energy for OH production is about 574.7 kJ/mol from the OH yield measurements. The potential energy surfaces for the $S_0$, $T_1$, and $S_1$ excited states along the dissociation coordinate were obtained by ab initio quantum chemical calculations. The observed energy partitioning was successfully modeled by the "barrier-impulsive model" with the reverse barrier and the geometry obtained by the calculated potential energy surfaces. The dissociation takes place on the $T_1$ excited state potential energy surface with an energy barrier in the exit channel and a large portion of the photon energy is distributed in the internal degrees of freedom of the polyatomic products.

• Journal of Institute of Control, Robotics and Systems
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• v.10 no.12
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• pp.1148-1154
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• 2004

The goal of this paper is to verity that the gradual reduction of drug dose (GRDD), which has already been shown by authors to be effective for a simplified HIV infection model, still works for a more realistic model. While the simplified HIV infection model does not take into account an helper-independent CTL, the five state nonlinear model proposed by Wodarz describes the dynamics of both helper-dependent and helper-independent CTL in HIV infection. In this paper, it is shown that, by applying GRDD to Wodarz's five state HIV infection model, the state of HIV infected patient converges to that of non-progressor whose immune response is excited so that his symptom would not be developed into AIDS. Roughly speaking, GRDD is 'slow reduction of dose after the maximum dose for a certain period.' It turns out that an equilibrium representing non-progressor is locally asymptotically stable for the most values of drug dosage, which is required to hold in order to apply GRDD. Simulation results establish that GRDD is still considerably effective both for an AIDS patient and a patient who has been on HAART for a long time.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2002.05a
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• pp.89-96
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• 2002

A two-degree of freedom model is suggested to understand the basic dynamical behaviors of the interaction between two masses of the friction induced vibration system. The two masses may be considered as the pad and the disk of the brake, The phase space analysis is performed to understand complicated dynamics of the non-linear model. Attractors in the phase space are examined for various conditions of the parameters of the model especially by emphasizing on the damping parameters. In certain conditions, the attractor becomes a limit cycle showing the stick-slip phenomena. In this paper, not only the existence of the limit cycle but also the size of the limit cycle is examined to demonstrate the non-linear dynamics that leads the unstable state. For the two different cases of the system frequency ((1)two masses with same natural frequencies, (2) with different natural frequencies), the propensity of limit cycle is discussed in detail. The results show an important fact that it may make the system worse when too much damping is present in the only one part of the masses.

• Bulletin of the Korean Chemical Society
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• v.28 no.4
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• pp.635-646
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• 2007

The reaction of gas-phase hydrogen atoms H with H atoms chemisorbed on a graphite surface has been studied by the classical dynamics. The graphite surface is composed of the surface and 10 inner layers at various gas and surface temperatures (Tg, Ts). Three chains in the surface layer and 13 chains through the inner layers are considered to surround the adatom site. Four reaction pathways are found: H2 formation, H-H exchange, H desorption, and H adsorption. At (1500 K, 300 K), the probabilities of H2 formation and H desorption are 0.28 and 0.24, respectively, whereas those of the other two pathways are in the order of 10-2. Half the reaction energy deposits in the vibrational motion of H2, thus leading to a highly excited state. The majority of the H2 formation results from the chemisorption-type H(g)-surface interaction. Vibrational excitation is found to be strong for H2 formed on a cold surface (~10 K), exhibiting a pronounced vibrational population inversion. Over the temperature range (10-100 K, 10 K), the probabilities of H2 formation and H-H exchange vary from 0 to ~0.1, but the other two probabilities are in the order of 10-3.

• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.12 no.7
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• pp.502-509
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• 2002

A two-degree of freedom model Is suggested to understand the basic dynamical behaviors of the interaction between two masses of the friction induced vibration system. The two masses may be considered as the pad and the dusk of the brake. The phase space analysis is performed to understand complicated dynamics of the non-linear model. Attractors in the phase space are examined for various conditions of the parameters of the model especially by emphasizing on the damping parameters. In certain conditions, the attractor becomes a limit cycle showing the stick-slip phenomena. In this Paper, not only titre existence of the limit cycle but also the sloe of the limit cycle is examined to demonstrate the non-linear dynamics that leads the unstable state. For the two different cases of the system frequency[(1) Two masses with same natural frequencies, (2) with different natural frequencies] . the propensity of limit cycle Is discussed In detail. The results show an important fact that it may make the system worse when too much damping Is present in the only one part of the masses.

• Journal of the Optical Society of Korea
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• v.1 no.1
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• pp.10-14
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• 1997

Single pulse laser excitation at 656 nm and successive pulse excitation at 635.2 and 648.4 nm produced blue emission at 480 nm by two-step upconversion process in Tm/sup 3+/:LaF/sub 3/. The excited-state absorption cross-section of the /sup 3/F/sub 4/ to /sup 1/G/sub 4/ transition was estimated by a looping mechanism with cross-relaxation processes. The dynamics of up-conversion andthe possibility of the photon avalanche by a pulse laser excitation were studied by numerical simulation with the rate equation model.