• Title/Summary/Keyword: Reaction Dynamics

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Molecular Dynamics Simulations of Fullerene Nanostructure Fabrications by Atomic Force Microscope Carbon Nanotube tip (원자간력 현미경 탄소 나노튜브 팁을 이용한 플러렌 나노 구조물 제작에 관한 분자동역학 시뮬레이션)

  • 이준하;이홍주
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.17 no.8
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    • pp.812-822
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    • 2004
  • This paper shows that carbon nanotubes can be applied to a nanopipette. Nano space in atomic force microscope multi-wall carbon nanotube tips is filled with molecules and atoms with charges and then, the tips can be applied to nanopipette when the encapsulated media flow off under applying electrostatic forces. Since the nano space inside the tips can be refilled, the tips can be permanently used in ideal conditions of no chemical reaction and no mechanical deformation. Molecular dynamics simulations for nanopipette applications demonstrated the possibility of nano-lithography or single-metallofullerene-transistor array fabrication.

A Thermo chemical Study of Arcjet Thruster Flow Field

  • J-R. Shin;S. Oh;Park, J-Y
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2004.03a
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    • pp.257-261
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    • 2004
  • Computational fluid dynamics analysis was carried out for thermo-chemical flow field in Arcjet thruster with mono-propellant Hydrazine ($N_2$H$_4$) as a working fluid. The theoretical formulation is based on the Reynolds Averaged Navier-Stokes equations for compressible flows with thermal radiation. The electric potential field governed by Maxwell equation is loosely coupled with the fluid dynamics equations through the Ohm heating and Lorentz force. Chemical reactions were assumed being infinitely fast due to the high temperature field inside the arcjet thruster. An equilibrium chemistry module for nitrogen-hydrogen mixture and a thermal radiation module for optically thin media were incorporated with the fluid dynamics code. Thermo-physical process inside the arcjet thruster was understood from the flow field results and the performance prediction shows that the thrust force is increased by amount of 3 times with 0.6KW arc heating.

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EXISTENCE OF NON-CONSTANT POSITIVE SOLUTION OF A DIFFUSIVE MODIFIED LESLIE-GOWER PREY-PREDATOR SYSTEM WITH PREY INFECTION AND BEDDINGTON DEANGELIS FUNCTIONAL RESPONSE

  • MELESE, DAWIT
    • Journal of applied mathematics & informatics
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    • v.40 no.3_4
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    • pp.393-407
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    • 2022
  • In this paper, a diffusive predator-prey system with Beddington DeAngelis functional response and the modified Leslie-Gower type predator dynamics when a prey population is infected is considered. The predator is assumed to predate both the susceptible prey and infected prey following the Beddington-DeAngelis functional response and Holling type II functional response, respectively. The predator follows the modified Leslie-Gower predator dynamics. Both the prey, susceptible and infected, and predator are assumed to be distributed in-homogeneous in space. A reaction-diffusion equation with Neumann boundary conditions is considered to capture the dynamics of the prey and predator population. The global attractor and persistence properties of the system are studied. The priori estimates of the non-constant positive steady state of the system are obtained. The existence of non-constant positive steady state of the system is investigated by the use of Leray-Schauder Theorem. The existence of non-constant positive steady state of the system, with large diffusivity, guarantees for the occurrence of interesting Turing patterns.

Analysis of Actuating and Joint Reaction Forces for Various Drivings in Multibody Systems with Closed-Loops (페루프를 포함하는 다물체계에 있어서 구동방법에 따른 구동력 및 조인트 반력 해석)

  • Lee, Byeong-Hun;Choe, Dong-Hwan
    • Transactions of the Korean Society of Mechanical Engineers A
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    • v.24 no.6 s.177
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    • pp.1470-1478
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    • 2000
  • Analysis of actuating forces and joint reaction forces are essential to determine the capacity of actuators, to control the system and to design the components. This paper presents an algorithm tha t calculates actuating forces(or torques) depending on the various driving types to produce a given system motion. The joint reaction forces(or torques) of multibody systems with closed-loops are analyzed in the Cartesian coordinate space using the inverse velocity transformation technique. Two numerical examples were carried out to verify the algorithm proposed.

Vibration Analysis of a Rotor considering Nonlinear Reaction of Hydrodynamic Bearing

  • Lee, Soo-Mok;Lim, Do-Hyeong;Bae, Jong-Gug;Yang, Bo-Suk
    • International Journal of Fluid Machinery and Systems
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    • v.2 no.3
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    • pp.254-259
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    • 2009
  • In this paper it was attempted to treat the hydrodynamic journal bearing as a time-based nonlinear reaction source in each step of rotor rotation in order to observe the bearing effect more realistically and accurately in stead of the conventional method of simple linearized stiffness and damping. Lubrication analysis based on finite element method is employed to calculate the hydrodynamic reaction of bearing and Newmark's method was used to calculate the rotor dynamics in the time domain. Simulation for an industrial electrical motor showed remarkable results with differences compared to those by the conventional method in the dynamic behavior of the rotor.

Hybrid Position/Force Control for Dynamic Walking of Biped Walking Robot (이족보행로봇의 동적 보행을 위한 혼합 위치/힘 제어)

  • 박인규;김진걸
    • Proceedings of the Korean Society of Precision Engineering Conference
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    • 2000.05a
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    • pp.566-569
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    • 2000
  • This hybrid position/force control for the dynamic walking of the biped robot is performed in this paper. After the biped robot was modeled with 14 degrees of freedom of the multibody dynamics, the equations of motion are constructed using velocity transformation technique. Then the inverse dynamic analysis is performed for determining the driving torques and the ground reaction forces. From this analysis, obtains the maximum ground contact force at the moment of contacting which act on the rear of the sole of swing leg and the distribution curve of the ground reaction. Because these maximum force and distribution type acts an important role to the stability of the whole dynamic walking, they are reduced and distributed smoothly by means of the trajectory of the modified ground reaction force. This new trajectory is used to the reference input for more stable dynamic walking of the whole walking region.

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A STUDY ON INVARIANT REGIONS, EXISTENCE AND UNIQUENESS OF THE GLOBAL SOLUTION FOR TRIDIAGONAL REACTION-DIFFUSION SYSTEMS

  • IQBAL M. BATIHA;NABILA BARROUK;ADEL OUANNAS;ABDULKARIM FARAH
    • Journal of applied mathematics & informatics
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    • v.41 no.4
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    • pp.893-906
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    • 2023
  • In this article, we are devoted to study the problem of the existence, uniqueness and positivity of the global solutions of the 3 × 3 reaction-diffusion systems with the total mass of the components with time. We also suppose that the nonlinear reaction term has a critical growth with respect to the gradient. The technique that we used to prove the global existence is the method of the compact semigroup.

Interaction of Gas-phase Atomic Hydrogen with Chemisorbed Oxygen Atoms on a Silicon Surface

  • Lee, Sang-Kwon;Ree, Jong-Baik;Kim, Yoo-Hang;Shin, Hyung-Kyu
    • Bulletin of the Korean Chemical Society
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    • v.32 no.5
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    • pp.1527-1533
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    • 2011
  • The reaction of gas-phase atomic hydrogen with oxygen atoms chemisorbed on a silicon surface is studied by use of the classical trajectory approach. We have calculated the probability of the OH formation and energy deposit of the reaction exothermicity in the newly formed OH in the gas-surface reaction H(g) + O(ad)/Si${\rightarrow}$ OH(g) + Si. All reactive events occur in a single impact collision 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 is dependent upon the gas temperature and shows the maximum near 1000 K, but it is essentially independent of the surface temperature. The reaction probability is also independent upon the initial excitation of the O-Si vibration. The reaction energy available for the product state is carried away by the desorbing OH in its translational and vibrational motions. When the initial excitation of the O-Si vibration increases, translational and vibrational energies of OH rise accordingly, while the energy shared by rotational motion varies only slightly. Flow of energy between the reaction zone and the solid has been incorporated in trajectory calculations, but the amount of energy propagated into the solid is only a few percent of the available energy released in the OH formation.

Characteristics of Temperature in Reformer Tube and Chemical Reaction for Steam Methane Ratio (수증기-메탄 혼합비에 따른 개질 튜브 내 온도 및 화학반응 특성)

  • Han, Jun Hee;Kim, Ji Yoon;Lee, Seong Hyuk
    • Journal of the Korean Institute of Gas
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    • v.20 no.5
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    • pp.27-33
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    • 2016
  • The aim of numerical study is the investigation of the solid and fluid temperatures in a reformer tube and chemical reaction characteristics of different steam-carbon ratio. We considered conjugate heat transfer contain radiation, convection and conductive heat transfers. This is because steam reforming reaction of hydrocarbon occurred high temperature conditions up to 800 K- 1000 K by using commercial computational fluid dynamics (CFD) code (Fluent ver. 13.0). For numerical simulation, the Reynolds-Averaged Navier-Stokes, momentum and energy equation were employed. In addition, inside of reformer tube is assumed as the porous medium to consider the Nichrome-based catalyst. To analysis characteristics of tube temperature in chemical reaction, we changed steam-methane ratio(SCR) from 1 to 6. As increased SCR, the higher tube temperature and methane conversion were observed. It was obtained that the highest hydrogen production held in SCR of 5.

A Study of the Suitability of Combustion Chemistry in the EDC Model for the LES of Backdraft (백드래프트 현상의 LES를 위한 EDC 모델의 연소 화학반응기구 적합성 연구)

  • Myilsamy, Dinesh;Oh, Chang Bo;Han, Yong Shik;Do, Kyu Hyung
    • Fire Science and Engineering
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    • v.31 no.4
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    • pp.35-42
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    • 2017
  • Large Eddy Simulation (LES) was peformed for the backdraft occurred in a compartment filled with high-temperature methane fuel using the Fire Dynamics Simulator (FDS) of version 6. The prediction performance of FDS, adopted the Eddy Dissipation Concept (EDC) combustion model with five different chemical reaction mechanisms, was evaluated. The temporal distributions of temperature, fuel mass fraction, velocity and pressure were discussed with numerical results and the pressure variation in time was compared with that of previous experiment. The FDS adopted the EDC model showed the possibility of LES for the backdraft phenomena. However, the prediction performance of the LES with EDC model strongly depended on the chemical reaction mechanism considered. It is necessary that the suitability of the chemical reaction mechanism should be validated in advance for LES with the FDS v6 to be applied to the simulation of backdraft.