• Bulletin of the Korean Chemical Society
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• 제20권3호
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• pp.285-290
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• 1999

In the present paper, we report a molecular dynamics (MD) simulation study for the structure and dynamics of H+ ions in non-rigid dehydrated H12-A zeolite framework at 298.15 K, using the same method we used in our previous studies of rigid and non-rigid zeolite-A frameworks. It is found that two different structures appear, depending on the choice of the Lennard-Jones parameter (σ) for the H+ ion, as is also observed in the study of rigid dehydrated H12-A zeolite framework, but the ranges of σ are different for the two structures. It is also found that some of the H+ ions exchanged their sites without changing the number of H+ ions at each site. The agreement between experimental and calculated structural parameters for non-rigid dehydrated H12-A zeolite is generally quite good. The calculated IR spectrum by Fourier transform of the total dipole moment auto-correlation function shows two major peaks, one around 2700 cm-1 and the other around 7000 cm-1. The former appears in the calculated IR spectra of non-rigid zeolite-A framework only system and the latter remains unexplained except, perhaps, as an indication of a new formation of a vibrational mode of the framework due to the adsorption of the H+ ions.

• 대한교통학회지
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• 제30권3호
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• pp.95-106
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• 2012

수도권 광역철도는 운영 범위의 공간적 확대 및 신설 건설, 급행전철 도입 등 다양한 환경 변화에 직면하고 있으며 이는 이용수요 변화의 원인이 된다. 또한 시간대별 이용수요는 열차운행 특성(운행횟수, 편성량수 등) 뿐만 아니라 광역철도 이용자 서비스 평가 지표 중의 하나인 차내 혼잡도에도 영향을 미친다. 이에 본 연구는 철도의 효율적 운영을 위한 측면에서 열차 편성량수의 최소화와 운영비용, 이용자 서비스간의 관계를 파악하여 최적의 열차편성 조정 대안을 도출하고자 하였다. 시스템 다이나믹스(System Dynamics) 시뮬레이션 프로그램인 Powersim을 활용하여 편성량수 최적화 시뮬레이션을 구현하였으며 그 결과 경부선은 현 운행시에도 한계혼잡도(150%)를 초과하는 역이 일부 존재하여 현행 유지함이 최적이라고 분석된 반면 경인선, 과천선 등의 경우 편성량수를 2~4량 감소시켜도 한계혼잡도를 초과하지 않아 적용 가능할 것으로 분석되었다. 또한 장항선 구간(천안~신창)은 경부선과 동일하게 현재 1편성 10량으로 운행되고 있으나 4량 운행시에도 혼잡도가 크게 증가 하지 않으므로 천안~신창구간의 단거리 셔틀운영방안에 대한 검토가 필요할 것으로 판단된다.

• Nuclear Engineering and Technology
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• 제35권5호
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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.

• 한국진공학회:학술대회논문집
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• 한국진공학회 2010년도 제39회 하계학술대회 초록집
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• pp.54-55
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• 2010

Vacancy defects in graphene can be created by electron or ion irradiation and those induce ripples which can change the electronic properties of graphene. Recently, the formation of defect structures such as vacancy defects and non-hexagonal rings has been reported in the high resolution transmission electron microscope (HR-TEM) of reduced graphene oxide [1]. In those HR-TEM images, it is noticed that the dislocations with pentagon-heptagon (5-7) pairs are formed and diffuses. Interestingly, it is also observed that two 5-7 pairs are separated and diffuse far away from each other. The separation of 5-7 pairs has been known to be due to their self-diffusion. However, from our tight-binding molecular dynamics simulation, it is found that the separation of 5-7 pairs is due to the diffusion of single vacancy defects and coalescence with 5-7 pairs. The diffusion and coalescence of single vacancy defects is too fast to be observed even in HR-TEM. We also implemented Van der Waals interaction in our tight-binding carbon model to describe correctly bi-layer and multi-layer graphene. The compressibility of graphite along c-axis in our tight-binding calculation is found to be in excellent agreement with experiment. We also discuss the difference between single layer and bi-layer graphene about vacancy diffusion and reconstruction.

• 한국광학회지
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• 제4권4호
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• pp.464-473
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• 1993

본 논문에서는 광섬유에 아르곤 레이저 빔이 입사될 때 생기는 위상격자 형성에 관한 역학을 다룬다. 간단한 쌍광자 표백모델(two-photon bleaching model)을 이용하여 위상격자가 시간이 지남에 따라 이상적인(ideal) 격자로 자기조직됨(self-organized)을 보인다. 광섬유의 각점에서의 시간에 따른 상태전개는 하나의 보편 매개변수(universial parameter)에 의해 나타내어지고 또한 이 광섬유계를 기술하는 연립편미분 방정식이 이 매개변수에 의해 연립 상 미분 방정식으로 간소화 된다. 이 연립 상 미분 방정식을 이용하여 위상격자가 자라나는 상태는 한 고정점(a fixed point)를 향해 가는 과정이고 이 고정점은 완벽히 위상맞춤(phase-matched)된 격자에 해당된다는 것을 보인다.

• 천문학회보
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• 제37권2호
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• pp.118.2-118.2
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• 2012

In particle-in-cell (PIC) simulation studies related to ion-ion two-stream instability, a reduced ion-to-electron mass ratio is often employed to save computation time. But it was not clearly verified how electrons dynamics are coupled with the slower evolution of ion-ion interactions under the external electric field. We have studied the ion beam driven instability using a 1D electrostatic PIC code by comparing different rescaling of parameter with real ion mass from the reference simulation with reduced ion mass. As the external electric field is stronger, the excited unstable mode range was more sensitively affected by the system size with the real mass ratio than the reduced ion mass. The results show that the reduced mass ratio should be used cautiously in PIC code as the electron dynamics can modify the ion instabilities. Additionally we found the formation of electron flat-top distribution in the final saturation stage. Simulation results show that in the early phase electrostatic solitary waves are quasi-periodically formed, but later they are fully dissipated resulting in heated, flat-top distributions. New electron beam components are occasionally formed. These are a consequence of the interaction with solitary wave structures. We parametrically investigate the development of electron phase space distributions for various drift speeds of ion beams and temperature ratios between ions and electrons

• Journal of Magnetics
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• 제18권3호
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• pp.289-296
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• 2013

This work presents results of the study which concerns the influence of the rotating magnetic field (RMF) on the growth rate, cell metabolic activity and ability to form biofilms by E. coli and S. aureus. Liquid cultures of the bacteria were exposed to the RMF (RMF frequency f = 1-50 Hz, RMF magnetic induction B = 22-34 mT, time of exposure t = 60 min, temperature of incubation $37^{\circ}C$). The present study indicate the exposition to the RMF, as compared to the unexposed controls causing an increase in the growth dynamics, cell metabolic activities and percentage of biofilm-forming bacteria, in both S. aureus and E. coli cultures. It was also found that the stimulating effects of the RMF exposition enhanced with its increasing frequencies and magnetic inductions.

• Biomolecules & Therapeutics
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• 제29권5호
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• pp.527-535
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• 2021

Sclerostin (SOST), a regulator of bone formation in osteocytes, inhibits the canonical Wnt signaling by interacting with low-density lipoprotein receptor-related protein 5/6 (LRP5/6) to prevent Wnt binding. Loss-of-function mutations of the SOST gene caused massive bone outgrowth and SOST-null mouse exhibited a high bone density phenotype. Therefore, SOST has been suggested as a promising therapeutic target for osteoporosis. A few previous studies with X-ray crystallography identified the binding interfaces between LRP6 and SOST, but there are limitations in these studies as they used truncated SOST protein or SOST peptide. Here, we analyzed the conformational dynamics of SOST-LRP6 E1E2 complex using hydrogen/deuterium exchange mass spectrometry (HDX-MS). We examined the effect of the C-terminal tail of SOST on LRP6 conformation upon complex formation. HDX-MS analysis suggested a new potential binding interface for the C-terminal region of SOST that was missing from the previous crystal structure of the SOST-LRP6 E1E2 complex.

• 제어로봇시스템학회논문지
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• 제20권12호
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• pp.1217-1224
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• 2014

This paper presents a modified track guidance algorithm for formation flight of multiple UAVs. The suggested guidance algorithm is the spatial version of the first order dynamic characteristics for a time-dependent system so the algorithm is able to generate a path without overshoot to track the desired line. A crucial design parameter is a spatial constant that controls the shape of the convergence to an assigned flight path similarly to a time constant. Reference flight trajectories are designed based on a two-dimensional vehicle model, and the performance of the proposed guidance law is verified by numerical simulation using rigid body UAV dynamics with MATLAB/Simulink Aerosim Blockset.

• 천문학회보
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• 제38권2호
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• pp.86.1-86.1
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• 2013

Observations of a filament showing an activated barb recorded from the at the Dutch Open Telescope (DOT) on 2010 August 20 are presented. The filament developed a barb in 10 minutes, which disappeared within the next 35 minutes. Such a rapid formation and disappearance of a filament barb is unusual, and has been seldom reported. Line-of-sight velocity maps were constructed from images in seven line positions along the H-alpha line. We observe flows in the filament spine towards the barb location prior to its formation, and flows in the barb towards the spine during its disappearance. Photospheric magnetograms from Helioseismic Magnetic Imager on board the Solar Dynamics Observatory were used to determine the changes in magnetic flux in the region surrounding the barb location. The variation of magnetic flux in this duration support the view that barbs are rooted in minor magnetic polarity.