• Title/Summary/Keyword: Energy Dynamics

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Molecular Dynamics Study on Atomistic Details of the Melting of Solid Argon

  • Han, Joo-Hwan
    • Journal of the Korean Ceramic Society
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    • v.44 no.8
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    • pp.412-418
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    • 2007
  • The atomic scale details of the melting of solid argon were monitored with the aid of molecular dynamics simulations. The potential energy distribution is substantially disturbed by an increase in the interatomic distance and the random of set distance from the lattice points, with increasing temperature. The potential energy barriers between the lattice points decrease in magnitude with the temperature. Eventually, at the melting point, these barriers can be overcome by atoms that are excited with the entropy gain acquired when the atoms obtain rotational freedom in their atomic motion, and the rotational freedom leads to the collapse of the crystal structure. Furthermore, it was found that the surface of crystals plays an important role in the melting process: the surface eliminates the barrier for the nucleation of the liquid phase and facilitates the melting process. Moreover, the atomic structure of the surface varies with increasing temperature, first via surface roughening and then, before the bulk melts, via surface melting.

Design and Analysis of Permanent Magnet Synchronous Generator Considering Magnetically Coupled Turbine-Rotor System

  • Kim, Byung-Ok;Choi, Bum-Seog;Kim, Jeong-Man;Cho, Han-Wook
    • Journal of Electrical Engineering and Technology
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    • v.10 no.3
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    • pp.1002-1006
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    • 2015
  • In this paper, design and analysis of permanent magnet synchronous generator for ocean thermal energy conversion (OTEC) considering magnetically coupled turbine-rotor system is discussed. In particular, the rotor dynamics considering bearing span and journal shaft diameter is highlighted. The two topologies of permanent magnet synchronous generator with magnetic coupling are employed for comparison of computed rotor dynamics and generating characteristics. The analysis results show that the critical speed of the turbine-rotor system is higher when the rotor is coupled by magnetically coupling. Finally, the experimental results confirmed the validity of the proposed design and analysis scheme and successful development.

Multi-body dynamics simulation of 14 facepieces and probability study by using residual moment (14 면체의 다물체 동역학 Simulation 과 잔류 모멘트 계산을 통한 확률계산)

  • Lee, Jeong-Han;Yoo, Wan-Suk
    • Proceedings of the KSME Conference
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    • 2008.11a
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    • pp.865-869
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    • 2008
  • Juryeonggu is a Cuboctahedral die that had used in ancient Korea. This Cuboctahedral is consisted of different two penal servitudes of 14 facepieces, but the probability distribution can appear equally so it can be usable as a die. In this paper, achieved research study about probability of a Cuboctahedral die that have quadrilateral and triangle preferentially to search Juryeonggu's probability calculation method. First, confirmed probability distribution through Multibody-dynamics analysis and verified probability distribution through several experiments. Finally, with this simulation data, achieved theoretical analysis about Cuboctahedral die occurrence probability by using the residual momentum energy.

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Optimization of the Spring Design Parameters of a Circuit Breaker to Satisfy the Specified Dynamic Characteristics

  • Gil Young;Kwang Young
    • International Journal of Precision Engineering and Manufacturing
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    • v.5 no.4
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    • pp.43-49
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    • 2004
  • A spring-actuated linkage system is used to satisfy the desired opening and closing characteristics of the electric contacts of a vacuum circuit breaker. If the type of a circuit breaker and the structure of the linkage system are predetermined, then design parameters such as stiffness, free length and attachment points of the spring become the important issues. In this paper, based on the energy conservation, the total system energy is constant throughout the operating range of the mechanism; a systematic procedure to optimize the spring design parameters is developed and applied to a simplified mechanism of a circuit breaker. The developed procedure is converted to the environment of the multi-body dynamics program, ADAMS for an in-depth consideration of the complex dynamics of a circuit breaker mechanism.

Molecular dynamics study of Al solute-dislocation interactions in Mg alloys

  • Shen, Luming
    • Interaction and multiscale mechanics
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    • v.6 no.2
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    • pp.127-136
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    • 2013
  • In this study, atomistic simulations are performed to study the effect of Al solute on the behaviour of edge dislocation in Mg alloys. After the dissociation of an Mg basal edge dislocation into two Shockley partials using molecular mechanics, the interaction between the dislocation and Al solute at different temperatures is studied using molecular dynamics. It appears from the simulations that the critical shear stress increases with the Al solute concentration. Comparing with the solute effect at T = 0 K, however, the critical shear stress at a finite temperature is lower since the kinetic energy of the atoms can help the dislocation conquer the energy barriers created by the Al atoms. The velocity of the edge dislocation decreases as the Al concentration increases when the external shear stress is relatively small regardless of temperature. The Al concentration effect on the dislocation velocity is not significant at very high shear stress level when the solute concentration is below 4.0 at%. Drag coefficient B increases with the Al concentration when the stress to temperature ratio is below 0.3 MPa/K, although the effect is more significant at low temperatures.

Magnetopause Waves Controlling the Dynamics of Earth's Magnetosphere

  • Hwang, Kyoung-Joo
    • Journal of Astronomy and Space Sciences
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    • v.32 no.1
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    • pp.1-11
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    • 2015
  • Earth's magnetopause separating the fast and often turbulent magnetosheath and the relatively stagnant magnetosphere provides various forms of free energy that generate low-frequency surface waves. The source mechanism of this energy includes current-driven kinetic physical processes such as magnetic reconnection on the dayside magnetopause and flux transfer events drifting along the magnetopause, and velocity shear-driven (Kelvin-Helmholtz instability) or density/pressure gradient-driven (Rayleigh-Taylor instability) magnetohydro-dynamics (MHD) instabilities. The solar wind external perturbations (impulsive transient pressure pulses or quasi-periodic dynamic pressure variations) act as seed fluctuations for the magnetopause waves and trigger ULF pulsations inside the magnetosphere via global modes or mode conversion at the magnetopause. The magnetopause waves thus play an important role in the solar wind-magnetosphere coupling, which is the key to space weather. This paper presents recent findings regarding the generation of surface waves (e.g., Kelvin-Helmholtz waves) at the Earth's magnetopause and analytic and observational studies accountable for the linking of the magnetopause waves and inner magnetospheric ULF pulsations, and the impacts of magnetopause waves on the dynamics of the magnetopause and on the inner magnetosphere.

Optimization of the Spring Design Parameters of a Circuit Breaker for Satisfying Specified Dynamic Characteristics (규정된 동적특성을 위한 회로차단기의 스프링 설계변수의 최적화)

  • 안길영;정광영
    • Journal of the Korean Society for Precision Engineering
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    • v.21 no.3
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    • pp.132-138
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    • 2004
  • In a vacuum circuit breaker mechanism, a spring-actuated linkage system is used to satisfy the desired opening and closing characteristics of electric contacts. If the type and structure of the linkage system required to the circuit breaker is predetermined, the stiffness, free length and attachment points of a spring become the important design parameters. In this paper, based on the energy conservation that the total system energy is constant throughout the operating range of the mechanism, a systematic procedure for optimizing the spring design parameters is developed and applied to the simplified mechanism of a circuit breaker. Then, in order to consider the complex dynamics of the circuit breaker mechanism rather well, the developed procedure is converted to the environment of a multi-body dynamics program ADAMS.

Bubble breakup dynamics and flow behaviors of a surface-functionalized nanocellulose based nanofluid stabilized foam in constricted microfluidic devices

  • Wei, Bing;Wang, Yuanyuan;Wen, Yangbing;Xu, Xingguang;Wood, Colin;Sun, Lin
    • Journal of Industrial and Engineering Chemistry
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    • v.68
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    • pp.24-32
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    • 2018
  • Nanocellulose was surface-functionalized toward the applications in enhanced oil recovery (EOR) as a green alternative. The focus of this paper is on the effect of this material based nanofluid (NF) on foam lamella stabilization through studying its bubble breakup dynamics and flow behaviors in constricted mircofluidic devices. The NF stabilized foam produced an improved flow resistance across the capillary largely due to the capillary trapped bubbles at the contraction. The "snap-off" caused the NF stabilized foam to produce finer textured bubbles, which can migrate readily forward to the deep porous media, as revealed by the pressure profiles.

Targeting of integrin αvβ3 with different sequence of RGD peptides: A molecular dynamics simulation study

  • Azadeh Kordzadeh;Hassan Bardania;Esmaeil Behmard;Amin Hadi
    • Advances in nano research
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    • v.15 no.2
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    • pp.105-111
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    • 2023
  • Integrin αvβ3 is one of the receptors expressed in cancer cells. RGD peptides have the potential to target integrin αvβ3 (receptor), which can increase drug delivery efficiency. In this study, 55 different RGD dimer motifs were investigated. At first, the binding energy between RGD peptides and the receptor was calculated using molecular docking. Then, three RGD peptides with the strongest binding energy with the receptor were selected, and their dynamic adsorption on the receptor was simulated by molecular dynamics (MD). The obtained results showed that a sequence that has RGD at the beginning and end with tryptophan (TRP) has strong Lennard-Jones (LJ) and electrostatic interactions with Integrin αvβ3 and has changed the conformation of receptor significantly, which analyzed by root mean square deviation (RMSD) and radius of gyration.

Effect of Neutron Energy Spectra on the Formation of the Displacement Cascade in ${\alpha}-Iron$

  • Kwon Junhyun;Seo Chul Gyo;Kwon Sang Chul;Hong Jun-Hwa
    • Nuclear Engineering and Technology
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    • v.35 no.5
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    • pp.497-505
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    • 2003
  • This paper describes a computational approach to the quantification of primary damage under irradiation and demonstrates the effect of neutron energy spectra on the formation of the displacement cascade. The development of displacement cascades in ${\alpha}-Iron$ has been simulated using the MOLDY code - a molecular dynamics code for simulating radiation damage. The primary knock-on atom energy, key input to the MOLDY code, was determined from the SPECTER code calculation on two neutron spectra. The two neutron spectra include; (i) neutron spectrum in the instrumented irradiation capsule of the high-flux advanced neutron application reactor (HANARO), and (ii) neutron spectrum at the inner surface of the reactor pressure vessel steel for the Younggwang nuclear power plant No.5 (YG 5). Minor differences in the normalized neutron spectra between the two spectra produce similar values of PKA energy, which are 4.7 keV for HANARO and 5.3 keV for YG 5. This similarity implies that primary damage to the components of the commercial nuclear reactors should be well simulated by irradiation in the HANARO. Moreover, the application of the MD calculations corroborates this statement by comparing cascades simulation results.