• Bulletin of the Korean Chemical Society
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• v.24 no.1
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• pp.95-98
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• 2003

Enantioselectivity of the propranolol on β-cyclodextrin was simulated by molecular modeling. Monte Carlo (MC) docking and molecular dynamics (MD) simulations were applied to investigate the molecular mechanism of enantioselective difference of both enantiomeric complexes. An energetic analysis of MC docking simulations coupled to the MD simulations successfully explains the experimental elution order of propranolol enantiomers. Molecular dynamics simulations indicate that average energy difference between the enantiomeric complexes, frequently used as a measure of chiral recognition, depends on the length of the simulation time. We found that, only in case of much longer MD simulations, noticeable chiral separation was observed.

• 한국정보디스플레이학회:학술대회논문집
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• 2009.10a
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• pp.607-609
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• 2009

We present a Brownian molecular dynamics computer simulation method for calculating the rotational viscosity of the liquid crystal mixture comprising pentylcyanobiphenol (5CB) and decylcyanobiphenol (10CB). Mean director of the ensemble has been used as a nematic director. Results show a good agreement with experimental ones [Sudeshna DasGupta et al., Physics Letters A 306(2003)235-242].

• 한국전산유체공학회:학술대회논문집
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• 2002.10a
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• pp.71-77
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• 2002

The grid technology is believed to be the next generation research tool for both computational and experimental scientists. With advanced network technologies and middleware, geographically distributed facilities can be tightly connected to provided a huge amount of resources or remote accessibility, In this paper, an overview of grid technology will be introduced with an emphasis in application to computational fluid dynamics. The computational fluid dynamics, which involves solution of partial differential equations, is basically limited by the computing power, With the grid technology, virtually unlimited resources are provided. The schematic structure of middleware and grid environment, as well as some preliminary results are presented.

• Ocean Systems Engineering
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• v.5 no.2
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• pp.55-76
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• 2015

Of all the six degrees of freedom, the roll motion of a ship is the most poorly understood and displays complicated phenomena. Due to the low potential wave damping at the natural frequency, the effective analysis of ship roll dynamics comes down to the accurate estimation of the viscous roll damping. This paper provides overview of the importance of roll damping and an extensive literature review of the various viscous roll damping prediction methods applied by researchers over the years. The paper also discusses in detail the current state of the art estimation of viscous roll damping for ship shaped structures. A computer code is developed based on this method and its results are compared with experimental data to demonstrate the accuracy of the method. While some of the key references describing this method are not available in English, some others have been found to contain typographic errors. The objective of this paper is to provide a comprehensive summary of the state of the art method in one place for future reference.

• International Journal of Automotive Technology
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• v.8 no.5
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• pp.605-614
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• 2007

This paper presents the research results for the reduction of a gear whine noise based on experimental and analytic methods. The test vehicle has a whine noise problem at the passenger seats in a sport utility vehicle. To identify the transfer path of the interior noise due to the axle system, a vibration path analysis, modal analysis and operational deflection shape analysis are systematically employed. By using these various methods, it has been found that the interior noise generated by the axle system was airborne noise. To reduce and predict the whine generated by the axle system, structural modifications for the axle system are performed by using FEM and BEM techniques. The structural modification of the axle cover is suggested for the reduction of whine noise.

• Journal of the Korean Society for Precision Engineering
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• v.11 no.2
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• pp.85-94
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• 1994

The cutting mechanism of ultrasonic vibration machining is characterized as two phases, that is, an impact at the cutting edge and a reduction of cutting force due to non-contact interval between tool and workpiece. In this paper, in order to identify cutting dynamics of a system with ultrasonically vibrated cutting tool, an ARMA modeling is performed on experimental cutting force signals which have a dominant effect on cutting dynamics. The aim of this study is, through Dynamic Date System methodology, to find the inherent characteristics of an ultrasonic vibration cutting process by considering natural frequency and damping coefficient. Surface roughness and stability of cutting process under ultrasonic vibration are also considered

• Proceedings of the KAIS Fall Conference
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• 2003.06a
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• pp.256-259
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• 2003

Artificial heart is divided pulsation style and nonpulsation style greatly according to flowing of blood. nonpulsation pump is advantage of miniaturization avaliable because it is simple and non-volumic-pump than pulsation pump. Non pulsation pump is derided axial flow style and centrifugal style accordig to rotating style. An axial flow blood pump can be made smaller than a centrifugal blood pump because of its higher specific speed. A hemolysis is an important factor for the development of an axial flow blood pump. It is difficult to identify the areas where hemolysis nun. Evaluation of hemolysis both in in vitro and in vivo require a long time and are costly. Computational fluid dynamics(CFD) analysis enables the engineer to predict hemolysis on a computer. The aims of this study is Computational fluid dynamics in the whole axial flow pump and to verify the accuracy of prediction results of CFD analysis compare with in vitro experimental results.

• Bulletin of the Korean Chemical Society
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• v.19 no.2
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• pp.178-183
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• 1998

Carbon-13 CP-MAS NMR techniques were used to investigate dynamics of new combined type liquid crystalline polymers, poly[oxy-1,4-phenyleneoxy-2-{6-(4-(4-butylphenylazo)phenoxy)hexyloxy}terephthaloyl] and poly[oxy-1,4-phenyleneoxy-2-{10-(4-(4-butylphenylazo)phenoxy)decyloxy}terephthaloyl]. Noticeable mobility change of either aromatic groups or methylene groups is not detected between 25 ℃ and 82 ℃ from 13C spinlattice relaxation time in the rotating frame (T1ρ(C)) and contact time array experiments. However, line shape analysis shows the increase of mobility of methylene carbons in poly[oxy-1,4-phenyleneoxy-2-{6-(4-(4-butylphenylazo)phenoxy)hexyloxy}terephthaloyl] at higher temperature. The dynamics of side chanis does not seem to be affected in our experimental temperature range by the length of aliphatic chain which is connecting the side chain group to the main chain.

• Journal of the Korean Physical Society
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• v.73 no.10
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• pp.1541-1545
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• 2018

We study lattice thermal conductivity of $Sb_2Te_3$ using molecular dynamics simulations. The interatomic potentials are fitted to reproduce total energy and elastic constants, and phonon properties calculated using the potentials are in reasonable agreement with first-principles calculations and experimental data. Our calculated lattice thermal conductivities of $Sb_2Te_3$ decrease with temperature from 150 K to 500 K. The in-plane lattice thermal conductivity of $Sb_2Te_3$ is higher than cross-plane lattice thermal conductivity of $Sb_2Te_3$, as in the case of $Bi_2Te_3$, which is consistent with the anisotropy of the elastic constants.

• Smart Structures and Systems
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• v.33 no.4
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• pp.281-290
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• 2024

This work investigates the mechanical energy harvesting from smart and adaptive devices using magnetic interactions. The energy harvester is built from an elastic beam connected to an electric circuit by a magnetostrictive material that promotes energy transduction. Besides, magnetic interactions define the system stability characterizing multistable configurations. The adaptiveness is provided by magnets that can change their position with respect to the beam, changing the system configuration. A mathematical model is proposed considering a novel model to describe magnetic interactions based on the single-point magnet dipole method, but employing multiple points to represent the magnetic dipole, which is more effective to match experimental data. The adaptive behavior allows one to alter the system stability and therefore, its dynamical response. A nonlinear dynamics analysis is performed showing the possibilities to enhance energy harvesting capacity from the magnet position change. The strategy is to perform a system dynamical characterization and afterward, alter the energetic barrier according to the environmental energy sources. Results show interesting conditions where energy harvesting capacity is dramatically increased by changing the system characteristics.