• Title/Summary/Keyword: Ensemble Monte Carlo method

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Impact ionization rate of the highly-doped AlGaAs/GaAs quantum well (고준위 도핑된 AlGaAs/GaAs 양자 우물의 충돌 이온화율)

  • 윤기정;황성범;송정근;홍창희
    • Journal of the Korean Institute of Telematics and Electronics A
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    • v.33A no.4
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    • pp.121-128
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    • 1996
  • The impact ionization rate of thethighly-doped AlGaAs/GaAs quantum well structure is calculated, which is an important parameter ot design theinfrared detector APD and the novel neural device. In conjunction with ensemble monte carlo method and quantum mechanical treatment, we analyze the effects of the parameters of quantum well structure on the impact ionization rate. Since the number of the occupied subbands increases while the energy of the subbands decreases as the width of quantum well increases, the impact ionization rate increases in the range of th esmall well width but gradually the increament slows down and is finally saturated. Due to the effect of the energy of the injected electrons into the quantum well and the tunneling through the barrier, the impact ionization rate increases for the range of the small barrier width and decreases for the range of the large barrier width. Thus, there exists a barrier width to maximize the impact ionzation rate for a mole fraction x, and the barrier width moves to the larger vaue as the mole fraction x increases. The impact ionization rate is much more sensitive to the variation of the doping density than that of the other quantum well parameters. We found that there is a limit of the doping density to confine the electronics in the quantum well effectively.

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Computer Simulation Studies of the Conformations of Polymeric Systems Near Surfaces as a Basic Research of the Elastomer (고무의 기초 연구로써 표면에 위치한 고분자 시스템 거동에 관한 수치모사 연구)

  • Kim, Myung-Yul;Park, Yung-Hoon
    • Elastomers and Composites
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    • v.35 no.1
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    • pp.29-37
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    • 2000
  • In this study as a basic research of the elastomer, we show the results of the behavior of the two different chain length polymers in the melt confined between two impenetrable planes. The cubic lattice simulations are conducted in the canonical ensemble with a method that is a combination of reptation and crackshaft bond flip motions. A total of 680 chains which are 544 short chains comprising 10 beads and 136 long chains comprising 160 beads were placed in 20 lattice layers. It was assumed that there is no energetic interactions between covalently connected beads. while all other neighbors will interact with a truncated 6-12 Lennard-Jones potential. From the analysis of the simulation results, it was shown that purely entropic effects caused the shorter chains to partition preferentially to the surface. We also showed that the center of mass density of the shorter chains shows maximum near the surface. This is the opposite phenomena when compared to that of the longer chains. However, the segments of the shorter and the longer chains did not display any significant changes in bond order.

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Molecular Simulation Studies for Penetrable-Sphere Model: II. Collision Properties (침투성 구형 모델에 관한 분자 전산 연구: II. 충돌 특성)

  • Kim, Chun-Ho;Suh, Soong-Hyuck
    • Polymer(Korea)
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    • v.35 no.6
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    • pp.513-519
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    • 2011
  • Molecular simulations via the molecular dynamics method have been carried out to investigate the dynamic collision properties of penetrable-sphere model fluids. The collision frequencies, the mean free paths, the angle distributions of the hard-type reflection and the soft-type penetration, and the effective packing fractions are computed over a wide range of the packing fraction ${\phi}$ and the repulsive energy ${\varepsilon}^*$. The soft-type collisions are dominated for lower repulsive energy systems, while the hardtype collisions for higher repulsive energy systems. Very interestingly, the ratio of the soft-type (or, the hard-type) collision frequency to the total collision frequency is directly related with the Boltzmann factor of acceptance (or rejection) probabilities in the canonical ensemble Monte Carlo calculations. Such dynamic collision properties are shown to be restricted for highly repulsive and dense systems of ${\varepsilon}^*{\geqq}3.0 $and ${\phi}{\geqq}0.7$, indicating the cluster forming structures in the penetrable-sphere model.