• Title/Summary/Keyword: Classical trajectory

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Energy Flow and Bond Dissociation of Vibrationally Excited Toluene in Collisions with N2 and O2

  • Ree, Jongbaik;Kim, Sung Hee;Lee, Sang Kwon
    • Bulletin of the Korean Chemical Society
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    • v.34 no.5
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    • pp.1494-1502
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    • 2013
  • Energy flow and C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited toluene in the collision with $N_2$ and $O_2$ have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited toluene upon collision is not large and it increases slowly with increasing total vibrational energy content between 5,000 and 45,000 $cm^{-1}$. Intermolecular energy transfer occurs via both of V-T and V-V transfers. Both of V-T and V-V transfers increase as the total vibrational energy of toluene increases. When the total energy content $E_T$ of toluene is sufficiently high, either C-H bond can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability, and that in the collision with $N_2$ is larger than with $O_2$.

Reaction Dynamics of CH3 + HBr → CH4 + Br at 150-1000 K

  • Ree, Jongbaik;Kim, Yoo Hang;Shin, Hyung Kyu
    • Bulletin of the Korean Chemical Society
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    • v.34 no.8
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    • pp.2473-2479
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    • 2013
  • The kinetics of the radical-polar molecule reaction $CH_3+HBr{\rightarrow}CH_4+Br$ has been studied at temperatures between 150 and 1000 K using classical dynamics procedures. Potential energy surfaces constructed using analytical forms of inter- and intramolecular interaction energies show a shallow well and barrier in the entrance channel, which affect the collision dynamics at low temperatures. Different collision models are used to distinguish the reaction occurring at low- and high-temperature regions. The reaction proceeds rapidly via a complex-mode mechanism below room temperature showing strong negative temperature dependence, where the effects of molecular attraction, H-atom tunneling and recrossing of collision complexes are found to be important. The temperature dependence of the rate constant between 400 and 1000 K is positive, the values increasing in accordance with the increase of the mean speed of collision. The rate constant varies from $7.6{\times}10^{-12}$ at 150 K to $3.7{\times}10^{-12}$ at 1000 K via a minimum value of $2.5{\times}10^{-12}\;cm^3\;molecule^{-1}\;s^{-1}$ at 400 K.

Dynamics of Gas-phase Hydrogen Atom Reaction with Chemisorbed Hydrogen Atoms on a Silicon Surface

  • 임선희;이종백;김유항
    • Bulletin of the Korean Chemical Society
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    • v.20 no.10
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    • pp.1136-1144
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    • 1999
  • The collision-induced reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon (001)-(2×1) surface is studied by use of the classical trajectory approach. The model is based on reaction zone atoms interacting with a finite number of primary system silicon atoms, which then are coupled to the heat bath, i.e., the bulk solid phase. The potential energy of the Hads‥Hgas interaction is the primary driver of the reaction, and in all reactive collisions, there is an efficient flow of energy from this interaction to the Hads-Si bond. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. These events occur in a localized region around the adatom site on the surface. The reaction probability shows the maximum near 700K as the gas temperature increases, but it is nearly independent of the surface temperature up to 700 K. Over the surface temperature range of 0-700 K and gas temperature range of 300 to 2500 K, the reaction probability lies at about 0.1. The reaction energy available for the product states is small, and most of this energy is carried away by the desorbing H2 in its translational and vibrational motions. The Langevin equation is used to consider energy exchange between the reaction zone and the bulk solid phase.

Optimal Soft Landing Guidance and Attitude Control for Reusable Launch Vehicles (재사용 발사체를 위한 최적 연착륙 유도 및 자세 제어 연구)

  • Jeon, Ho-Young;Cho, Jun-Hyon;Kim, Jong-Han
    • Journal of the Korean Society for Aeronautical & Space Sciences
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    • v.50 no.4
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    • pp.251-257
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    • 2022
  • We formulated the convex optimization based minimum energy soft landing problem for reusable launch vehicles, and obtained the minimum time trajectory via the bisection search. In order to implement the the optimal guidance command and complete the flight control architectures on the soft landing stage, we designed the classical attitude control loops, and formulated and solved the optimal actuator allocation problem. The obtained soft landing guidance performance was analyzed via nonlinear 6-DOF simulation.

On the wave propagations of football game ball after contacting with the player foot

  • Lei Sun;Cancan Wei;Fei Liu;Lijun Wang;Bo Ren
    • Geomechanics and Engineering
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    • v.33 no.6
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    • pp.529-542
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    • 2023
  • Wave propagation with high transverse deflection could affect the stability of the ball in its trajectory. For low stiffness balls similar to soccer and volleyball balls, the waves are more noticeable in comparison to other balls like ping-pong ball. On the other hand, the soccer balls are under heavy impact loads from shoots and contacting different objects in the field. The maximum recorded speed of a soccer ball after kicking is the 211 km/hr and the average maximum speed is around 112 km/hr. Therefore, in such speeds the aerodynamic forces become important which are directly related to geometrical shape of the ball. In this regard, the wave propagation in soccer ball is examined in the current study using large deformation shear deformable formulations. Classical relations of stress-strain components are taken into consideration along with minimum total energy principle. The final derived relations were solved by using harmonic differential quadrature method. The results are generally presented ion term of phase velocity as function of different influencing parameters of the materials, geometry and mass of the ball.

A New Methodology for the Assessment of Liquefaction Potential Based on the Dynamic Characteristics of Soils (II) : Verification (지반의 동적특성에 기초한 액상화 평가법 (II) : 타당성 검토)

  • 최재순;홍우석;박인준;김수일
    • Journal of the Korean Geotechnical Society
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    • v.18 no.1
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    • pp.101-112
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    • 2002
  • In this study, a new methodology fur the assessment of liquefaction potential is proposed and characteristics of the proposed methodology are verified. The experimental parameter of this methodology, that is, the plastic shear strain trajectory, is compared with the dissipated energy. It is shown that this parameter can express the liquefaction behavior which is generated by excess pore water pressure. This methodology takes advantage of the shear strain time history determined from the site response analysis based on the real time history of earthquake. In this site response analysis, shock type and vibration type records of similar predominant frequency are inputted. The liquefaction safely factors based on the proposed methodology and Korean detailed assessment related to the classical method are calculated from the results of the site response analysis and laboratory dynamic tests. Through this study, it is found that the proposed methodology can not only simulate the liquefaction behavior of saturated soils hut also express the seismic characteristics reasonably : leading type, predominant frequency, maximum acceleration, duration time.

A Study on Tracking Control of Omni-Directional Mobile Robot Using Fuzzy Multi-Layered Controller (퍼지 다층 제어기를 이용한 전방향 이동로봇의 추적제어에 관한 연구)

  • Kim, Sang-Dae;Kim, Seung-Woo
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.12 no.4
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    • pp.1786-1795
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    • 2011
  • The trajectory control for omni-directional mobile robot is not easy. Especially, the tracking control which system uncertainty problem is included is much more difficult. This paper develops trajectory controller of 3-wheels omni-directional mobile robot using fuzzy multi-layered algorithm. The fuzzy control method is able to solve the problems of classical adaptive controller and conventional fuzzy adaptive controllers. It explains the architecture of a fuzzy adaptive controller using the robust property of a fuzzy controller. The basic idea of new adaptive control scheme is that an adaptive controller can be constructed with parallel combination of robust controllers. This new adaptive controller uses a fuzzy multi-layered architecture which has several independent fuzzy controllers in parallel, each with different robust stability area. Out of several independent fuzzy controllers, the most suited one is selected by a system identifier which observes variations in the controlled system parameter. This paper proposes a design procedure which can be carried out mathematically and systematically from the model of a controlled system; related mathematical theorems and their proofs are also given. Finally, the good performance of the developed mobile robot is confirmed through live tests of path control task.

Vibrational Relaxation and Bond Dissociation of Excited Methylpyrazine in the Collision with HF

  • Oh, Hee-Gyun;Ree, Jong-Baik;Lee, Sang-Kwon;Kim, Yoo-Hang
    • Bulletin of the Korean Chemical Society
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    • v.27 no.10
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    • pp.1641-1647
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    • 2006
  • Vibrational relaxation and competitive C-$H_{methyl}$ and C-$H_{ring}$ bond dissociations in vibrationally excited methylpyrazine in the collision with HF have been studied by use of classical trajectory procedures. The energy lost by the vibrationally excited methylpyrazine upon collision is not large and it increases slowly with increasing total vibrational energy content between 20,000 and 45,000 $cm^{-1}$. Above the energy content of 45,000 $cm^{-1}$, however, energy loss decreases. The temperature dependence of energy loss is negligible between 200 and 400 K, but above 45,000 $cm^{-1}$ the energy loss increases as the temperature is raised. Energy transfer to or from the excited methyl C-H bond occurs in strong collisions with HF, that is, relatively large amount of translational energy is transferred in a single step. On the other hand, energy transfer to the ring C-H bond occurs in a series of small steps. When the total energy content ET of methylpyrazine is sufficiently high, either or both C-H bonds can dissociate. The C-$H_{methyl}$ dissociation probability is higher than the C-$H_{ring}$ dissociation probability. The dissociation of the ring C-H bond is not the result of the direct intermolecular energy flow from the direct collision between the ring C-H and HF but the result of the intramolecular flow of energy from the methyl group to the ring C-H stretch.

Hydrogen Surface Coverage Dependence of the Reaction between Gaseous and Chemisorbed Hydrogen Atoms on a Silicon Surface

  • Ree, Jong-Baik;Chang, Kyung-Soon;Kim, Yoo-Hang
    • Bulletin of the Korean Chemical Society
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    • v.23 no.2
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    • pp.205-214
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    • 2002
  • The reaction of gas-phase atomic hydrogen with hydrogen atoms chemisorbed on a silicon surface is studied by use of the classical trajectory approach. Especially, we have focused on the mechanism changes with the hydrogen surface coverage difference. On the sparsely covered surface, the gas atom interacts with the preadsorbed hydrogen atom and adjacent bare surface sites. In this case, it is shown that the chemisorption of H(g) is of major importance. Nearly all of the chemisorption events accompany the desorption of H(ad), i.e., adisplacement reaction. Although much less important than the displacement reaction, the formation of $H_2(g)$ is the second most significant reaction pathway. At gas temperature of 1800 K and surface temperature of 300 K, the probabilities of these two reactions are 0.750 and 0.065, respectively. The adsorption of H(g) without dissociating H(ad) is found to be negligible. In the reaction pathway forming $H_2$, most of the reaction energy is carried by $H_2(g)$. Although the majority of $H_2(g)$ molecules are produced in sub-picosecond, direct-mode collisions, there is a small amount of $H_2(g)$ produced in multiple impact collisions, which is characteristic of complex-mode collisions. On the fully covered surface, it has been shown that the formation of $H_2(g)$ is of major importance. All reactive events occur on a subpicosecond scale, following the Eley-Rideal mechanism. At gas temperature of 1800 K and surface temperature of 300 K, the probability of the $H_2(g)$ formation reaction is 0.082. In this case, neither the gas atom trapping nor the displacement reaction has been found.

Fast Hough circle detection using motion in video frames (동영상에서 움직임을 이용한 빠른 허프 원 찾기)

  • Won, Hye-Min;Lee, Kyoung-Mi
    • Journal of Internet Computing and Services
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    • v.11 no.6
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    • pp.31-39
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    • 2010
  • The Generalized Hough Transform(GHT) is the most used algorithm for circle detection with high accuracy. However, it requires many computation time, because many different templates are applied in order to find circles of various size. In the case of circle detection and tracking in video, the classical approach applies GHT for each frame in video and thus needs much high processing time for all frames. This paper proposes the fast GHT algorithm in video, using two consecutive frames are similar. In the proposed algorithm, a change-driven method conducts GHT only when two consecutive frames have many changes, and trajectory-based method does GHT in candidate areas and with candidate radius using circles detected in a previous frame. The algorithm can reduce computation time by reducing the number of frames, the edge count, and the number of searching circles, as factors which affects the speed of GHT. Our experimental results show that the algorithm successfully detects circles with less processing time and no loss of accuracy in video acquisited by a fixed camera and a moving camera.