• Journal of the Korean Physical Society
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• v.73 no.12
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• pp.1808-1813
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• 2018

I develop a transfer matrix algorithm for computing the geometric quantities of a square lattice polymer with nearest-neighbor interactions. The radius of gyration, the end-to-end distance, and the monomer-to-end distance were computed as functions of the temperature. The computation time scales as ${\lesssim}1.8^N$ with a chain length N, in contrast to the explicit enumeration where the scaling is ${\sim}2.7^N$. Various techniques for reducing memory requirements are implemented.

• Membrane Journal
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• v.32 no.1
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• pp.57-65
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• 2022

Recently, computer simulation research has been rapidly increasing due to the development of computer and software technology. In particular, various computational simulation results related to polymers, which were previously limited by problems of the number of atoms and model size, are being published. In this study, a study was conducted to analyze the mechanical properties, one of the important properties for using a polymer material as a membrane, using molecular dynamics (MD) simulation. To this end, polyethylene (PE) and polystyrene (PS), which are commercial polymer materials with widely reported related properties, were selected as polymer models and the tensile properties of each polymer were compared through the difference in main chain length. Through the density, radius of gyration, and scattering analysis, it was found that the model produced in this study was in good agreement with the mechanical property trends obtained in the actual experiment. It is expected to enable the prediction of mechanical properties of various polymer materials for membrane fabrication.

• Polymer(Korea)
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• v.30 no.1
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• pp.90-94
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• 2006

An electrospinning process was used to fabricate poly(methyl methacrylate) (PMMA) nanofibers embedding multi-walled carbon nanotubes(MWNTs). SEM images showed that the nanofiber surface and structural morphology depended on solvent types (dimethyl formamide, chlor-form and toluene) and carbon nanotube contents (0.5 and $3.0\;wt\%$). Nano-fiber alignments could be controlled by adjusting the electrodes configuration at collector sites. Relationship between carbon nanotube and PMMA nanofiber was studied with radius of gyration of polymer chain and carbon nanotube sizes. As the carbon nanotube content ratio increased, the number of bead increased.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2008.11a
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• pp.394-400
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• 2008

This paper presents an analytical method to investigate the stability of FDBs (fluid dynamic bearings) considering the tilting motion. The perturbed equations of motion are derived with respect to translational and tilting motion for the general rotor-bearing system with five degrees of freedom. The Reynolds equations and their perturbed equations are solved by using the FEM in order to calculate the pressure, load capacity, and the stiffness and damping coefficients. This research introduces the radius of gyration to the equations of notion in order to express the mass moment of interia with respect to the critical mass. Then the critical mass of FDBs is determined by solving the eigenvalue problem of the linear equations of motion. This research is numerically validated by comparing the stability chart of FDBs with the time response of the whirl radius obtained from the direct integration of the equations of motion. This research shows that the tilting motion is one of the major design considerations to determine the stability of rotating system. It also shows that the stability of FDBs considering only translation is overestimated in comparison with the stability of FDBs considering both translational and tilting motion.

• Macromolecular Research
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• v.15 no.6
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• pp.491-497
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• 2007

NPT Monte Carlo simulations were performed to calculate the molecular properties of syndiotactic poly(vinyl chloride) (PVC) and syndiotactic poly(vinyl alcohol) (PVA) melts using the configurational bias Monte Carlo move, concerted rotation, reptation, and volume fluctuation. The density, mean square backbone end-to-end distance, mean square radius of gyration, fractional free-volume distribution, distribution of torsional angles, small molecule solubility constant, and radial distribution function of PVC at 0.1 MPa and above the glass transition temperature were calculated/measured, and those of PVA were calculated. The calculated results were compared with the corresponding experimental data and discussed. The calculated densities of PVC and PVA were smaller than the experimental values, probably due to the very low molecular weight of the model polymer used in the simulation. The fractional free-volume distribution and radial distribution function for PVC and PVA were nearly independent of temperature.

• Steel and Composite Structures
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• v.28 no.2
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• pp.149-165
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• 2018

Using the modified couple stress theory and Euler-Bernoulli beam theory, this paper studies nonlinear vibration analysis of microbeams resting on the nonlinear orthotropic visco-Pasternak foundation. Using the Hamilton's principle, the set of the governing equations are derived and solved numerically using differential quadrature method (DQM), Newark beta method and arc-length technique for all kind of the boundary conditions. First convergence and accuracy of the presented solution are demonstrated and then effects of radius of gyration, Poisson's ratio, small scale parameters, temperature changes and coefficients of the foundation on the linear and nonlinear natural frequencies and dynamic response of the microbeam are investigated.

• Macromolecular Research
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• v.10 no.6
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• pp.297-303
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• 2002

We have investigated the microstructural properties of a weakly charged polyelectrolyte modeled with both Hookean spring and Debye-Huckel potential, by employing a novel hybrid scheme of molecular dynamics (MD) and Monte Carlo (MC) simulations. Although the off-lattice pivot step facilitates the earlier computations stage, it gives rise to oscillations and hinders the stable equilibrium state. In order to overcome this problem, we adopt the MC off-lattice pivot step in early stage only, and then switch the computation to a pure MD step. The result shows that the computational speed-up compared to the previous method is entirely above 10 to 50, without loss of the accuracy. We examined the conformations of polyelectrolyte in solvents in terms of the end-to-end distance, radius of gyration, and structure factor with variations of the screening effects of solvent and the monomer charges. The emphasis can favorably be given on the elongation behavior of a polyelectrolyte chain, with observing the simultaneous snapshots.

• Magazine of the Korean Society of Agricultural Engineers
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• v.28 no.1
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• pp.68-74
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• 1986

The governing differential equations and the boundary conditions for the free vibra- tion of the unsymmetric parabolic arch with fixed ends are derived on the basis of the equilibrium equations and the D'Alembert principle. The effect of the rotary inertia as well as the extensional and the flexural deformations is considered in the governing differential equations. A trial eigenvalue method is used for determining the natural frequencies. The Ru- uge-Kutta method is used in this method to perform the integration of the differential equations. The detailed studies are made of the lowest three vibration frequencies for the par- abolic chord length equal to 10m. The effect of the rotary inertia is analyzed and it's numerical data are presented in table. And as the numerical results the frequency versus the rise of arch and the radius of gyration are presented in figures.

• Journal of Ocean Engineering and Technology
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• v.10 no.3
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• pp.3-13
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• 1996

An extensive research programme has been aimed at the effct of ship weight distribution on the ship responses applying ship hydroelasticity theory. In the previous works, consistent tendencies of the still-water and the wave bending moments. respectively, were found as the weight distribution was varied systematically. The paper is therefore concerned mainly with any correlation between still-water and wave bending moments with the variations of weight distribution. Although these bending moments share different features with each other, such a comparison of tendencies was plausible and informative. These and other matters for the future are discussed.

• Journal of the Korean Society of Manufacturing Process Engineers
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• v.17 no.5
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• pp.111-116
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• 2018

Thermal fusion bonding is a method to enclose open microchannels fabricated on polymer chips for use in lab-on-a-chip (LOC) devices. Polymethyl methacrylate (PMMA) is utilized in various biomedical-microelectromechanical systems (bio-MEMS) applications, such as medical diagnostic kits, biosensors, and drug delivery systems. These applications utilize PMMAs biochemical compatibility, optical transparency, and mold characteristics. In this paper, we elucidate both the conformational entanglement of PMMA molecules at the contact interfacial regime, and the qualitative nature of the thermal fusion bonding phenomena through systematic molecular dynamics simulations.