• Bulletin of the Korean Chemical Society
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• v.27 no.12
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• pp.1940-1960
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• 2006

Theoretical descriptions of two-dimensional (2D) vibrational and electronic spectroscopy are presented. By using a coupled multi-chromophore model, some examples of 2D spectroscopic studies of peptide solution structure determination and excitation transfer process in electronically coupled multi-chromophore system are discussed. A few remarks on perspectives of this research area are given.

• Communications of the Korean Mathematical Society
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• v.18 no.4
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• pp.767-779
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• 2003

We consider a model of population dynamics whose mortality function is unbounded. We approximate the solution of the model using a discontinuous Galerkin finite element for the age variable and a backward Euler for the time variable. We present several numerical examples. It is experimentally shown that the scheme converges at the rate of $h^{3/2}$ in the case of piecewise linear polynomial space.

• Journal of Information Technology Applications and Management
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• v.21 no.4_spc
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• pp.431-447
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• 2014

Demand of spectrum resource is tremendously increasing and this trend will continue as more IT services such as cloud computing, smart devices, Internet of Things are provided through wireless network. Recent development of spectrum sharing technology has drawn attention to spectrum policy makers as a promising way to overcome the expected spectrum shortage problem. However, technology-based solution to spectrum shortage problem may not be sustainable since the solution affect only one aspect of spectrum sharing ecosystem. To understand the whole picture of spectrum shortage problem, policies to vitalize spectrum sharing ecosystem were proposed based on the analysis of System Dynamics causal map in the previous study. This study compares and analyzes the effect of those proposed vitalization policies by using System Dynamics simulation. Among seven alternative policies, combined application of demand acceleration policy and technology development policy was found to be more effective for better utilization of spectrum. The effect of demand acceleration policy was offset when other policies are applied together except supply acceleration policy which shows better spectrum sharing.

• Biomolecules & Therapeutics
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• v.2 no.1
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• pp.34-38
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• 1994

In order to investigate the structure-activity relationships of the stereoisomers of angiotensin converting enzyme inhibitors, captopril and its derivatives were selected as model compounds. In vitro enzymatic activities of them depend on the symmetry at the asymmetric carbons. Especially, the alanyl carbon should have the S configuration to be biologically active. But the demethylated captopril having the achiral carbon also shows the activity although it is less active than captopril. Seven stereoisomers of captopril and its derivatives were chosen and their acidic and ionic forms were used for molecular dynamics simulations. Four computer simulations were practiced for each model compound in order to obtain the good condition for simulation to explain the experimental structure-activity relationships. From the computer simulation results, relativistic movements of three well-known pharmacophoric sites, carboxylate carbon, carbonyl oxygen, and sulfur atoms, were analyzed. Good results were obtained from the aqueous solution molecular dynamics simulation with ionic forms of model compounds. Active model compounds have the pharmacophoric areas of 6.08 to 6.38 $\AA$$^2$and the similarity in the geometrical data. But inactive ones have the largely deviated values of 4.51 to 4.87 $\AA$$^2$from those of active ones.

• Proceedings of the KSME Conference
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• 2001.06b
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• pp.241-246
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• 2001

This paper introduces modeling and solution for the dynamics of pipeline inspection gauge (PIG) flow in natural gas pipeline. Without of bypass flow, the dynamic behavior of the PIG depends on the different pressure between the rear and nose parts, which is generated by injected gas flow behind the tail of the PIG and expelled gas flow in front of its nose. With bypass flow, the PIG dynamics also depends on the amount of bypass flow across its body. The mathematical model are derived for unsteady compressible flow of the PIG driving and expelled gas, and for dynamics of the PIG. The bypass flow is assumed to be incompressible with the condition of its Mach number smaller than 0.45. The method of characteristic (MOC) and the Runge-Kutta method are used to solve the system governing equations. The simulation is performed with a pipeline segment in the Korea Gas Corporation (KOGAS) low pressure system, Ueijungboo-Sangye line. The simulation results show that the derived mathematical model and the proposed solution are effective for estimation the dynamics of the PIG with and without bypass flow under given operational condition.

• 제어로봇시스템학회:학술대회논문집
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• 1996.10b
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• pp.44-47
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• 1996

Bang-bang control law provides the optimal solution for a minimum-time control problem, but ignores the intermediate path except for the initial and final points. In this paper, a near minimum-time suboptimal fuzzy logic controller is introduced that can control the intermediate path. A dynamic model for a system is established using the average dynamics method of linearization. System model is continuously updated over the control time periods. This makes it suitable for high speed or variable payload applications. Bang-bang control theory is modified and used to derive the preliminary control law. A fuzzy logic algorithm is then applied to adjust and find the best solution. The solution will provide the suboptimal minimum-time control law which can avoid obstacles in the workspace.

• Korea-Australia Rheology Journal
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• v.21 no.1
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• pp.1-12
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• 2009

This paper reports the suitability of a domain decomposition technique for the hybrid simulation of dilute polymer solution flows using Eulerian Brownian dynamics and Radial Basis Function Networks (RBFN) based methods. The Brownian Configuration Fields (BCF) and RBFN method incorporates the features of the BCF scheme (which render both closed form constitutive equations and a particle tracking process unnecessary) and a mesh-less method (which eliminates element-based discretisation of domains). However, when dealing with large scale problems, there appear several difficulties: the high computational time associated with the Stochastic Simulation Technique (SST), and the ill-condition of the system matrix associated with the RBFN. One way to overcome these disadvantages is to use parallel domain decomposition (DD) techniques. This approach makes the BCF-RBFN method more suitable for large scale problems.

• Nonlinear Functional Analysis and Applications
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• v.28 no.2
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• pp.449-471
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• 2023

In this paper, we study a linear system of homogeneous commensurate /incommensurate fractional-order differential equations by developing a new semi-analytical scheme. In particular, by decoupling the system into two fractional-order differential equations, so that the first equation of order (δ + γ), while the second equation depends on the solution for the first equation, we have solved the under consideration system, where 0 < δ, γ ≤ 1. With the help of using the Adomian decomposition method (ADM), we obtain the general solution. The efficiency of this method is verified by solving several numerical examples.

• Ocean Systems Engineering
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• v.5 no.4
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• pp.301-318
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• 2015

The present investigations introduce the shell-finite element discretization for the dynamics of slender marine pipelines. A long catenary pipeline, corresponding to a particular Steel Catenary Riser (SCR), is investigated under long-standing cyclic loading. The long structure is divided into smaller tubular parts which are discretized with 8-node planar shell elements. The transient analysis of each part is carried out by the implicit time integration scheme, within a Finite Elements (FE) solver. The time varying external loads and boundary conditions on each part are the results of a prior solution of an integrated line-dynamics model. The celebrated FE approximation can produce a more detailed stress distribution along the structural surface than the simplistic "line-dynamics" approach.

• Bulletin of the Korean Chemical Society
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• v.24 no.6
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• pp.785-791
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• 2003

We have studied the folding mechanism of β-hairpins from proteins of 1GB1, 3AIT and 1A2P by unfolding simulations at high temperatures. The analysis of trajectories obtained from molecular dynamics simulations in explicit aqueous solution suggests that the three β-hairpin structures follow different mechanism of folding. The results of unfolding simulations showed that the positions of the hydrophobic core residues influence the folding dynamics. We discussed the characteristics of different mechanisms of β-hairpin folding based on the hydrogen-bond-centric and the hydrophobic-centric models.