• Title/Summary/Keyword: Minima

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Structural ordering, electronic and magnetic properties of bundled $Mo_6S_9-_xI_x$ nanowires

  • Kang, Seoung-Hun;Tomanek, David;Kwon, Young-Kyun
    • Proceedings of the Korean Vacuum Society Conference
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    • 2010.02a
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    • pp.55-55
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    • 2010
  • We use ab initio density functional theory to determine the effect of bundling on the equilibrium structure, electronic and magnetic properties of $Mo_6S_{9-x}I_x$nanowires with x = 0, 3, 4.5, 6. Each unit cell of these systems contains two $Mo_6S_{6-x}I_x$ clusters connected by S3 linkages to form an ordered linear array. Due to the bi-stability of the sulfur linkages, the total energy of the nanowires exhibits typically many minima as a function of the wire length. We find that nanowires can switch over from metallic to semiconducting by applying axial stress. Structural order is expected in bundles with x=0 and x=6, since there is no disorder in the decoration of the Mo clusters. In bundles with other stoichiometries, we expect structural disorder to occur. We find the optimum inter-wire distance to depend sensitively on the orientation of the wires, but only weakly on x. It is also found that the electronic properties of nanowires are affected strongly due to bundling of nanowires exhibiting very unusual Fermi surfaces. Furthermore, ferromagnetic behaviors are observed in selected stable and many more unstable atomic arrangements in nanowire bundles.

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Elliptic Feature of Coherent Fine Scale Eddies in Turbulent Channel Flows

  • Kang Shin-Jeong;Tanahashi Mamoru;Miyauchi Toshio
    • Journal of Mechanical Science and Technology
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    • v.20 no.2
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    • pp.262-270
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    • 2006
  • Direct numerical simulations (DNS) of turbulent channel flows up to $Re_{\tau}=1270$ are performed to investigate an elliptic feature and strain rate field on cross sections of coherent fine scale eddies (CFSEs) in wall turbulence. From DNS results, the CFSEs are educed and the strain rate field around the eddy is analyzed statistically. The principal strain rates (i.e. eigenvalues of the strain rate tensor) at the CFSE centers are scaled by the Kolmogorov length $\eta$ and velocity $U_k$. The most expected maximum (stretching) and minimum (compressing) eigenvalues at the CFSE centers are independent of the Reynolds number in each $y^+$ region (i. e. near-wall, logarithmic and wake regions). The elliptic feature of the CFSE is observed in the distribution of phase-averaged azimuthal velocity on a plane perpendicular to the rotating axis of the CFSE $(\omega_c)$. Except near the wall, phase-averaged maximum $(\gamma^{\ast}/\gamma_c^{\ast})$ and minimum $(\alpha^{\ast}/\alpha_c^{\ast})$ an eigenvalues show maxima on the major axis around the CFSE and minima on the minor axis near the CFSE center. This results in high energy dissipation rate around the CFSE.

Orbital Interactions in$ BeC_{2}H_{2}\;and\;LiC_{2}H_{2}$ Complexes

  • Ikchoon Lee;Jae Young Choi
    • Bulletin of the Korean Chemical Society
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    • v.14 no.1
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    • pp.101-107
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    • 1993
  • Ab initio calculations are carried out at the 6-311G$^{**}$ level for the $C_{2v}$ interactions of Be and Li atoms with acetylene molecule. The main contribution to the deep minima on the $^3B_2\;BeC_2H_2\;and\;^2B_2 LiC_2H_2$ potential energy curves is the b_2\;(2p(3b_2)-l{\pi}_g^*(4b_2))$ interaction, the $a_1\;(2s(6a_1)-I{\pi}_u(5a_1))$ interaction playing a relatively minor role. The exo deflection of the C-H bonds is basically favored, as in the $b_2$ interaction, due to steric crowding between the metal and H atoms, but the strong in-phase orbital interaction, or mixing, of the $a_1$ symmetry hydrogen orbital with the $5a'_1,\;6a'_1,\;and\;7a'_1$ orbitals can cause a small endo deflection in the repulsive complexes. The Be complex is more stable than the Li complex due to the double occupancy of the 2s orbital in Be. The stability and structure of the $MC_2H_2$ complexes are in general determined by the occupancy of the singly occupied frontier orbitals.

An alternative approach to extreme value analysis for design purposes

  • Bardsley, Earl
    • Proceedings of the Korea Water Resources Association Conference
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    • 2016.05a
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    • pp.201-201
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    • 2016
  • The asymptotic extreme value distributions of maxima are a natural choice when designing against future extreme events like flood peaks or wave heights, given a stationary time series. The generalized extreme value distribution (GEV) is often utilised in this context because it is seen as a convenient single expression for extreme event analysis. However, the GEV has a drawback because the location of the distribution bound relative to the data is a discontinuous function of the GEV shape parameter. That is, for annual maxima approximated by the Gumbel distribution, the data is also consistent with a GEV distribution with an upper bound (no lower bound) or a GEV distribution with a lower bound (no upper bound). A more consistent single extreme value expression for design purposes is proposed as the Weibull distribution of smallest extremes, as applied to transformed annual maxima. The Weibull distribution limit holds here for sufficiently large sample sizes, irrespective of the extreme value domain of attraction applicable to the untransformed maxima. The Gumbel, Type 2, and Type 3 extreme value distributions thus become redundant, together with the GEV, because in reality there is only a single asymptotic extreme value distribution required for design purposes - the Weibull distribution of minima as applied to transformed maxima. An illustrative synthetic example is given showing transformed maxima from the normal distribution approaching the Weibull limit much faster than the untransformed sample maxima approach the normal distribution Gumbel limit. Some New Zealand examples are given with the Weibull distribution being applied to reciprocal transformations of annual flood maxima, where the untransformed maxima follow apparently different extreme value distributions.

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A study on Defect Diagnosis of Gas Turbine Engine Using Hybrid SVM-ANN in Off-Design Region

  • Seo, Dong-Hyuck;Choi, Won-Jun;Roh, Tae-Seong;Choi, Dong-Whan
    • Proceedings of the Korean Society of Propulsion Engineers Conference
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    • 2008.03a
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    • pp.72-79
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    • 2008
  • The weak point of the artificial neural network(ANN) is that it is easy to fall in local minima when it learns too much nonlinear data. Accordingly, the classification ratio must be low. To overcome this weakness, the hybrid method has been proposed. That is, the ANN learns data selectively after detecting the defect position by the support vector machine(SVM). First, the SVM has been used for determination of the defect position and then the magnitude of the defect has been measured by the ANN. In off-design condition, the operation region of the engine is wide and the nonlinearity of learning data increases. The module system, dividing the whole operating region into reasonably small-size sections, has been suggested to solve this problem. In this study, the proposed algorithm has diagnosed the defects of triple components as well as single and dual components of the gas turbine engine in off-design condition.

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Study on Influence of Spring Constant on Frictional Behavior at the Nanoscale through Molecular Dynamics Simulation (나노스케일 마찰거동에서 스프링 상수가 마찰에 미치는 영향에 대한 분자동역학 연구)

  • Kang, Won-Bin;Kim, Hyun-Joon
    • Tribology and Lubricants
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    • v.37 no.2
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    • pp.77-80
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    • 2021
  • In this study, we investigated the effect of the spring constant on frictional behavior at a nanoscale through molecular dynamics simulation. A small cube-shaped tip was modeled and placed on a flat substrate. We did not apply the normal force to the tip but applied adhesive force between the tip and the substrate. The tip was horizontally pulled by a virtual spring to generate relative motion against the substrate. The controlled spring constant of the virtual spring ranged from 0.3 to 70 N/m to reveal its effect on frictional behavior. During the sliding simulation, we monitored the frictional force and the position of the tip. As the spring constant decreased from 70 to 0.3 N/m, the frictional force increased from 0.1 to 0.25 nN. A logarithmic relationship between the frictional force and spring constant was established. The stick-slip instability and potential energy slope increased with a decreasing spring constant. Based on the results, an increase in the spring constant reduces the probability of trapping in the local minima on the potential energy surface. Thus, the energy loss of escaping the potential well is minimized as the spring constant increases.

Effective Separation Method for Single-Channel Time-Frequency Overlapped Signals Based on Improved Empirical Wavelet Transform

  • Liu, Zhipeng;Li, Lichun;Li, Huiqi;Liu, Chang
    • KSII Transactions on Internet and Information Systems (TIIS)
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    • v.13 no.5
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    • pp.2434-2453
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    • 2019
  • To improve the separation performance of time-frequency overlapped radar and communication signals from a single channel, this paper proposes an effective separation method based on an improved empirical wavelet transform (EWT) that introduces a fast boundary detection mechanism. The fast boundary detection mechanism can be regarded as a process of searching, difference optimization, and continuity detection of the important local minima in the Fourier spectrum that enables determination of the sub-band boundary and thus allows multiple signal components to be distinguished. An orthogonal empirical wavelet filter bank that was designed for signal adaptive reconstruction is then used to separate the input time-frequency overlapped signals. The experimental results show that if two source components are completely overlapped within the time domain and the spectrum overlap ratio is less than 60%, the average separation performance is improved by approximately 32.3% when compared with the classic EWT; the proposed method also improves the suitability for multiple frequency shift keying (MFSK) and reduces the algorithm complexity.

Spiral Arm Features in Disk Galaxies: A Density-Wave Theory

  • Kim, Yonghwi;Ho, Luis C.
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.1
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    • pp.34.2-34.2
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    • 2019
  • Several observational results show a tighter pitch angle at wavelengths of optical and near-infrared than those that are associated with star formation, which is in agreement with the prediction of the density wave theory. In my recent numerical studies, the dependence of the shock positions relative to the potential minima is due to the tendency that stronger shocks form farther downstream. This causes a systematic variation of the perpendicular Mach number, with radius and makes the pitch angle of the gaseous arms smaller than that of the stellar arms, which supports the prediction of the density-wave theory, independently. However, some observations still give controversial results which show similar pitch angles at wavelengths, and there is no statistical study comparing observations and numerical models directly. By analyzing optical image of disk galaxies in the Carnegie-Irvine Galaxy Survey (CGS), I measured the physical values of stellar and gaseous arms such as their strength, length, and pitch angles. For direct comparison with numerical results, I analyzed more than 30 additional numerical models with varying the initial parameters in model galaxies. In this talk, I will present results both of observational and numerical samples and discuss the physical properties of spiral structures based on the density-wave theory.

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Multi-Objective Pareto Optimization of Parallel Synthesis of Embedded Computer Systems

  • Drabowski, Mieczyslaw
    • International Journal of Computer Science & Network Security
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    • v.21 no.3
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    • pp.304-310
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    • 2021
  • The paper presents problems of optimization of the synthesis of embedded systems, in particular Pareto optimization. The model of such a system for its design for high-level of abstract is based on the classic approach known from the theory of task scheduling, but it is significantly extended, among others, by the characteristics of tasks and resources as well as additional criteria of optimal system in scope structure and operation. The metaheuristic algorithm operating according to this model introduces a new approach to system synthesis, in which parallelism of task scheduling and resources partition is applied. An algorithm based on a genetic approach with simulated annealing and Boltzmann tournaments, avoids local minima and generates optimized solutions. Such a synthesis is based on the implementation of task scheduling, resources identification and partition, allocation of tasks and resources and ultimately on the optimization of the designed system in accordance with the optimization criteria regarding cost of implementation, execution speed of processes and energy consumption by the system during operation. This paper presents examples and results for multi-criteria optimization, based on calculations for specifying non-dominated solutions and indicating a subset of Pareto solutions in the space of all solutions.

Multi-cell Segmentation of Glioblastoma Combining Marker-based Watershed and Elliptic Fitting Method in Fluorescence Microscope Image (마커 제어 워터셰드와 타원 적합기법을 결합한 다중 교모세포종 분할)

  • Lee, Jiyoung;Jeong, Daeun;Lee, Hyunwoo;Yang, Sejung
    • Journal of Biomedical Engineering Research
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    • v.42 no.4
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    • pp.159-166
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    • 2021
  • In order to analyze cell images, accurate segmentation of each cell is indispensable. However, the reality is that accurate cell image segmentation is not easy due to various noises, dense cells, and inconsistent shape of cells. Therefore, in this paper, we propose an algorithm that combines marker-based watershed segmentation and ellipse fitting method for glioblastoma cell segmentation. In the proposed algorithm, in order to solve the over-segmentation problem of the existing watershed method, the marker-based watershed technique is primarily performed through "seeding using local minima". In addition, as a second process, the concave point search using ellipse fitting for final segmentation based on the connection line between the concave points has been performed. To evaluate the performance of the proposed algorithm, we compared three algorithms with other algorithms along with the calculation of segmentation accuracy, and we applied the algorithm to other cell image data to check the generalization and propose a solution.