• Title/Summary/Keyword: dynamics behavior

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A Molecular Dynamics Study of the Stress Effect on Oxidation Behavior of Silicon Nanowires

  • Kim, Byeong-Hyeon;Kim, Gyu-Bong;Park, Mi-Na;Ma, U-Ru-Di;Lee, Gwang-Ryeol;Jeong, Yong-Jae
    • Proceedings of the Korean Vacuum Society Conference
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    • 2011.02a
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    • pp.499-499
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    • 2011
  • Silicon nanowires (Si NWs) have been extensively studied for nanoelectronics owing to their unique optical and electrical properties different from those of bulk silicon. For the development of Si NW devices, better understanding of oxidation behavior in Si NWs would be an important issue. For example, it is widely known that atomic scale roughness at the dielectric (SiOx)/channel (Si) interface can significantly affect the device performance in the nano-scale devices. However, the oxidation process at the atomic-scale is still unknown because of its complexity. In the present work, we investigated the oxidation behavior of Si NW in atomic scale by simulating the dry oxidation process using a reactive molecular dynamics simulation technique. We focused on the residual stress evolution during oxidation to understand the stress effect on oxidation behavior of Si NWs having two different diameters, 5 nm and 10 nm. We calculated the charge distribution according to the oxidation time for 5 and 10 nm Si NWs. Judging from this data, it was observed that the surface oxide layer started to form before it is fully oxidized, i.e., the active diffusion of oxygen in the surface oxide layer. However, it is well-known that the oxide layer formation on the Si NWs results in a compressive stress on the surface which may retard the oxygen diffusion. We focused on the stress evolution of Si NWs during the oxidation process. Since the surface oxidation results in the volume expansion of the outer shell, it shows a compressive stress along the oxide layer. Interestingly, the stress for the 10 nm Si NW exhibits larger compressive stress than that of 5 nm Si NW. The difference of stress level between 5 an 10 anm Si NWs is approximately 1 or 2 GPa. Consequently, the diameter of Si NWs could be a significant factor to determine the self-limiting oxidation behavior of Si NWs when the diameter was very small.

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Analysis of Behavior Characteristics of Water Pollutants in Yeongsan River Using 3D Hydraulic Model (3차원 수리 모델을 이용한 영산강 수질오염물질의 수체 내 거동 특성 분석)

  • Hye Yeon Oh;Eun Jung Kim;Jung Hyun Choi
    • Journal of Korean Society on Water Environment
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    • v.39 no.6
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    • pp.439-450
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    • 2023
  • The Yeongsan River, a major water resource for Jeollanam-do, that is adjacent to industrial complexes and agricultural areas, is exposed to water pollution. Therefore, it is necessary to investigate the impact of water pollution incidences and prepare response systems for river environment safety for other water resources in the future. Environmental Fluid Dynamics Code (EFDC) was applied to the mainstream of the Yeongsan River where residential, commercial, and agricultural areas are located to analyze the behavior of pollutants conducting the scenario analysis. Considering the pollutants that affected the study area, two pollutants, oil and benzene, with different physical and chemical characteristics were selected for the analysis. As a result of comparing the actual and simulated values of the water elevation, temperature, and flow rate, it was confirmed that the model adequately reproduced the hydraulic characteristics of the Yeongsan River. The oil flow dynamics showed that an increase in flow rate led to reduction in the maximum height of the slick. Notably, the behavior of the oil was predominantly influenced by the wind conditions. In the case of benzene, lower flow scenarios exhibited decreased arrival times and residence times accompanied by an elevation in the maximum concentration levels. From the results of pollutant behavior in the study area, it is feasible to utilize the section of tributary confluence for collection and the weir area for dilution. This study enhances the understanding of the pollutant's behavior with different characteristics and develops effective control systems tailored to the physicochemical attributes of pollutants.

A New Approach of Multi-Scale Simulation for Investigating Nano-Scale Material Deformation Behavior (나노스케일 재료 변형 거동을 위한 새로운 멀티스케일 접근법)

  • Park, Junyoung
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.8 no.1
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    • pp.43-47
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    • 2009
  • Recently, an approach for nano-scale material deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic modeling. To solve this problem, an alternative way is developed that connects the QuasiMolecular Dynamics (QMD) and molecular dynamics. In this paper, we suggest the way to make and validate the MD-QMD coupled model.

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Using System Dynamics to study systemic corruption (시스템다이내믹스를 활용한 체제적 부패 연구)

  • Lim, Seong Bum
    • Korean System Dynamics Review
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    • v.15 no.4
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    • pp.29-60
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    • 2014
  • As every commentators has noted, bureaucratic corruption, which has complicated causes, is prevalent phenomenon in Korean society. Especially, most people realize that systemic corruption has a strong negative effect on society; however, only few studies reflect on the nature of 'systemic corruption' and it seems that no established theory explains the phenomenon. Thus, this study suggest that we look more carefully into the nature and mechanisms of 'systemic corruption'. Interdisciplinary approach based on the integrated model of structure-behavior to analyse the nature of bureaucratic corruption. The system dynamics method can test the mechanisms of 'systemic corruption'. With this way, the factors generating systemic corruption represent the relationships reinforcing and balancing within system dynamics model. This paper also consider 'isomorphism' and 'dominance' as control mechanisms to systemic corruption. From the CLD(Causal Loop Diagram), three main areas(rent in organization, networking, control mechanisms) are overlapped and it indicates dynamic relationships of systemic corruption in organizations.

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Quasimolecular Dynamics Simulation for Bending Fracture Propagation of Laminar Composite Material (적층복합재료의 굽힘 파괴거동에 관한 준분자동력학적 해석)

  • 박준영;김영석
    • Proceedings of the Korean Society for Technology of Plasticity Conference
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    • 1997.03a
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    • pp.59-62
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    • 1997
  • Recently, quasimolecular dynamics has been successfully used to simulate the deformation characteristic of actual size material. In quasimolecular dynamics, which is an attempt to bridge the gab between atomistic and continuum simulations, molecules are aggregated into large units, called quasimolecules, to simulate the large scale material behavior. In this paper, a numerical simulation using quasimolecular dynamics has been performed to investigate the laminar composite material fracture and crack propagation behaviors in bending process of laminar composite material which is made of fictitious materials. The simulation of the bending of laminar composite material has clarified the effects of strength of material at outer surface upon the fracture behviors of the specimen.

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Structural properties of β-Fe2O3 nanorods under compression and torsion: Molecular dynamics simulations

  • Kilic, Mehmet Emin;Alaei, Sholeh
    • Current Applied Physics
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    • v.18 no.11
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    • pp.1352-1358
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    • 2018
  • In recent years, one-dimensional (1D) magnetic nanostructures, such as magnetic nanorods and chains of magnetic nanoparticles have received great attentions due to the breadth of applications. Especially, magnetic nanorods has been opened an area of active research and applications in medicine, sensors, optofluidics, magnetic swimming, and microrheology since they possess the unique magnetic and geometric features. This study focuses on the molecular dynamics (MD) simulations of an infinitely long crystal ${\beta}-Fe_2O_3$ nanorod. To elucidate the structural properties and dynamics behavior of ${\beta}-Fe_2O_3$ nanorods, MD simulation is a powerful technique. The structural properties such as equation of state and radial distribution function of bulk ${\beta}-Fe_2O_3$ are performed by lattice dynamics (LD) simulations. In this work, we consider three main mechanisms affecting on deformation characteristics of a ${\beta}-Fe_2O_3$ nanorod: 1) temperature, 2) the rate of mechanical compression, and 3) the rate of mechanical torsion.

A study on the lateral Dynamics of the Moving Web Induced by a Tilted Roller (웹 표면 수직방향으로 기우러진 롤에 의한 측 방향 웹 거동에 대한 연구)

  • Shin, Kee-Hyun
    • Journal of the Korean Society for Precision Engineering
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    • v.17 no.12
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    • pp.209-216
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    • 2000
  • The lateral behavior of the moving web is critical to the quality of the web products. The alignment of the rollers carrying the web is found to be one of important factors to the lateral behavior of the moving web. But, the study on the effect of the tilting roller in the direction of the normal to the moving web on the lateral behavior has not been reported in the literature yet. For example, the contact roller often contacts the winding roll in a tilted fashion and causes the lateral motion of the winding web, which induces the offset on the wound roll. The lateral dynamics of the moving web induced by a tilted roller in normal direction of a web is investigated in this paper. The two-dimensional dynamic model developed by Shelton is extended to investigate the effect of a titled roller in a normal direction of the moving web on the lateral motion of the moving web. New boundary conditions are developed to solve the extended model. Computer simulation study proved that the model developed can be used to predict the lateral motion of the moving web ? to a tilted roller in normal direction of the moving web. The lateral deflection is increased exponentially a the tilting angle is increased. As the length of web span is increased, the amount of lateral deflection was increased almost linearly for the same tilting angle. The lateral dynamics turned out to be almost independent to the operating tension. The model developed can be used to solve the offset problem of the staggered winding and also to design a new web guiding mechanism.

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Viscoelastic behavior of aqueous surfactant micellar solutions

  • Toshiyuki Shikata;Mamoru Shiokawa;Shyuji Itatani;Imai, Shin-ichiro
    • Korea-Australia Rheology Journal
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    • v.14 no.3
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    • pp.129-138
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    • 2002
  • A cationic surfactant, cetyltrimethylammonium $\rho$-toluenesufonate (CTA$\rho$TS), forms long threadlike micelles in aqueous solution. The threadlike micelles make concentrated entanglement networks, so that the solution shows pronounced viscoelastic behavior as concentrated polymer systems do. However, a mechanism for a process responsible for the longest relaxation time of the threadlike micellar system is different from that of semi-dilute to concentrated polymer systems. The threadlike micellar system exhibits unique viscoelasticity described by a Maxwell model. The longest relaxation time of the threadlike micellar system is not a function of the concentration of CTA$\rho$TS, but changes with that of $\rho$-toluenesufonate ($\rho$$TS^{-}$) ions in the bulk aqueous phase supplied by adding sodium $\rho$-toluenesulfonate (NapTS). The rates of molecular motions in the threadlike micelles are not influenced by the concentration of $\rho$$TS^{-}$ anions, therefore, molecular motions in the threadlike micelles (micro-dynamics) are independent of the longest relaxation mechanism (macro-dynamics). A nonionic surfactant, oleyldimethylamineoxide (ODAO), forms long threadlike micelles in aqueous solution without any additives. The aqueous threadlike micellar system of ODAO also shows Maxwell type viscoelastic behavior. However, the relaxation mechanism for the longest relaxation process in the system should be different from that in the threadlike micellar systems of CTA$\rho$TS, since the system of ODAO does not contain additive anions. Because increase in the average degree of protonation of head groups of ODAO molecules in micelles due to adding hydrogen bromide causes the relaxation time remarkably longer, changes in micro-structure and micro-dynamics in the threadlike micelle are closely related to macro-dynamics in contrast with the threadlike micellar system of CTA$\rho$TS.

Analysis for the Driving Dynamic Characteristics of Large Scale Semi-Trailer Equipped with Swivel Axle and Hydropneumatic Suspension Unit (회전 차축 및 유기압 현가장치를 장착한 대용량 세미 트레일러의 주행 동특성 해석)

  • Ha, Taewan;Park, Jungsoo
    • Journal of the Korea Institute of Military Science and Technology
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    • v.25 no.2
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    • pp.196-209
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    • 2022
  • Driving dynamic characteristics of semi-trailer loaded with precise equipments are very important to protect them from vibration, impact or other disturbances. In this paper, in order to identify the driving dynamic characteristics of the large scale semi-trailer equipped with swivel axle and hydropneumatic suspension unit, Dynamics Modeling & Simulation(M&S) were performed using general Dynamics Analysis Program(RecurDyn V9R2). The semi-trailer was modeled as two types - one is Multi Rigid Body Dynamics(MRBD) model, and the other Rigid-Flexible Body Dynamics(RFlex) one. The natural vibration mode and frequencies of semi-trailer body, acceleration of dummy-weight, pitch, roll and yaw of dummy-weight, swivel axle and hydropneumatic suspension cylinder support structure, and acting force of hydropneumatic suspensions etc. were obtained from the M&S. Additionally frequency analysis were performed using the data of behavior obtained from above M&S. Generally the quantitative results of RFlex are larger than them of MRBD in view of magnitude of the comparable parametric values.