• Transactions of the Korean Society of Mechanical Engineers B
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• v.36 no.8
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• pp.873-876
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• 2012

Ionic liquids (ILs) existing in the liquid ion form under standard conditions show a unique properties. 1-10-Alkyl-3-methyl-imidazolium bromide ([C10mim][Br]) is one of the ILs that shows amphiphilic characteristics under specific conditions. This property enables it to function as a surfactant, and therefore, it finds applications in a wide range of areas. In this study, we tried to predict the behavior, especially the aggregation aspect, of [C10mim][Br] in an aqueous solution using molecular dynamics (MD) simulations. The canonical (NVT) ensemble was used to relax the system and trace the trajectory of atoms. Several case studies were simulated and the interaction among [C10mim]+, [Br]-, and water was analyzed using the radial distribution function of each atom. The density distribution function was also used for the structural analysis of the entire system. We used the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code for the present MD simulations.

• Proceedings of the KIEE Conference
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• 1998.07e
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• pp.1803-1805
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• 1998

Electron temperature, electron density and electron energy distribution function were measured in Radio-Frequency Inductively Coupled Plasma(RFICP) using a probe method. Measurements were conducted in argon discharge for pressure from 10 mTorr to 40 mTorr and input rf power from 100W to 600W and flow rate from 3 sccm to 12 sccm. Spatial distribution electron temperature and electron density and electron energy distribution function were measured for discharge with same aspect ratio(R/L=2). Electron temperature was found to depend on pressure, but only weakly on power. Electron density and electron energy distribution function strongly depended on both pressure and power. Electron density and electron energy distribution function increased with increasing flow rate. Radial distribution of the electron density and electron energy distribution function were peaked in the plasma center. Normal distribution of the electron density electron energy distribution function were peaked in the center between quartz plate and substrate. These results were compared to a simple model of ICP, then we found out the generation mechanism of Radio-Frequency Inductively Coupled Plasma.

• Bulletin of the Korean Chemical Society
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• v.35 no.5
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• pp.1501-1505
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• 2014

Molecular dynamics simulations were performed to understand the structural arrangement of water molecules around highly charged nanoparticles under aqueous conditions. The effect of two highly charged nanoparticles on the solvation charge asymmetry has been examined. We calculated the radial distribution functions of the components of water molecules around nanoparticles which have four charge types at two different salt concentrations. Even though the distributions of water molecules surrounding a sodium ion and a chloride ion are hardly affected by the charges of nanoparticles and the salt concentrations, those around highly charged nanoparticles are strongly influenced by the charges of nanoparticles, but hardly by the charges of nanoparticles and salt concentrations. We find that the distributions of hydrogen atoms in water molecules around one highly charged nanoparticle are dependent on the magnitude of the nanoparticle charge.

• International Journal of Korean Welding Society
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• v.5 no.1
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• pp.35-43
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• 2005

This paper deals with the optimum condition for spot heating to correct the thin buckled panel caused by welding. Heat input models for each flame torch tip (500, 800, 2000) with standoff were establish using FEA to evaluate the temperature distribution of the heated plate and verified by experiment. With the heat input models developed for each torch tip, the effect of heating variables including ramp ratio(R) and standoff on the radial shrinkage and angular distortion was identified using FEA. Based on the results, the proper conditions of spot heating with air cooling were established. The amount and distribution of the radial shrinkage by spot heating were formulated as the function of heating variables and in-plane rigidity of the plate.

• Bulletin of the Korean Chemical Society
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• v.23 no.6
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• pp.811-817
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• 2002

Gibbs ensemble Monte Carlo simulations were performed to calculate the vapor-liquid coexistence properties for the binary mixtures $CO_2/CH_3OH$, $CO_2/C_2H_5OH$, and $CO_2/CH_3CH_2CH_2OH.$ The configurational bias Monte Carlo method was used in the simulation of alcohol. Density of the mixture, composition of the mixture, the pressure-composition diagram, and the radial distribution function were calculated at vapor-liquid equilibrium. The composition and the density of both vapor and liquid from simulation agree considerably well with the experimental values over a wide range of pressures. The radial distribution functions in the liquid mixtures show that $CO_2$ molecules interact more stogly with methyl group than methylene group of $C_2H_5OH$ and $CH_3CH_2CH_2OH$ due to the steric effects of the alcohol molecules.

• The Bulletin of The Korean Astronomical Society
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• v.35 no.1
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• pp.56.2-56.2
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• 2010

M87, a cD galaxy in the Virgo cluster, has 3-10 times larger enclosed mass than the Milky Way at any given galactocentric radius. Thus the globular cluster (GC) system in M87 is expected to have undergone a more significant dynamical evolution than that of the Milky Way if it had started from the same initial mass function (MF) and radial distribution (RD) as the Milky Way. The evolution of MF and RD of the M87 GC system has been calculated using an advanced, realistic Fokker-Planck (FP) model that considers dynamical friction, disk/bulge shocks, and eccentric cluster orbits. We perform hundreds of FP calculations with different initial cluster conditions, and then search a wide parameter space for the best-fit initial GC MF and RD that evolves into the observed present-day GC MF and RD. We also find best-fit initial MFs and RDs for blue and red GC groups, separately.

• Journal of Astronomy and Space Sciences
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• v.39 no.2
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• pp.35-42
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• 2022

During their respective missions, the spacecraft Voyager and Cassini measured several Saturn magnetosphere parameters at different radial distances. As a result of information gathered throughout the journey, Voyager 1 discovered hot and cold electron distribution components, number density, and energy in the 6-18 Rs range. Observations made by Voyager of intensity fluctuations in the 20-30 keV range show electrons are situated in the resonance spectrum's high energy tail. Plasma waves in the magnetosphere can be used to locate Saturn's inner magnetosphere's plasma clusters, which are controlled by Saturn's spin. Electromagnetic electron cyclotron (EMEC) wave ring distribution function has been investigated. Kinetic and linear approaches have been used to study electromagnetic cyclotron (EMEC) wave propagation. EMEC waves' stability can be assessed by analyzing the dispersion relation's effect on the ring distribution function. The primary goal of this study is to determine the impact of the magnetosphere parameters which is observed by Cassini. The magnetosphere of Saturn has also been observed. When the plasma parameters are increased as the distribution index, the growth/damping rate increases until the magnetic field model affects the magnetic field at equator, as can be seen in the graphs. We discuss the outputs of our model in the context of measurements made in situ by the Cassini spacecraft.

• Korea-Australia Rheology Journal
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• v.16 no.1
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• pp.17-26
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• 2004

We examine rigorous computations on microstructural as well as rheological properties of concentrated dispersions of bidisperse colloids. The NVT Monte Carlo simulation is applied to obtain the radial distribution function for the concentrated system. The long-range electrostatic interactions between dissimilar spherical colloids are determined using the singularity method, which provides explicit solutions to the linearized electrostatic field. The increasing trend of osmotic pressure with increasing total particle concentration is reduced as the concentration ratio between large and small particles is increased. From the estimation of total structure factor, we observe the strong correlations developed between dissimilar spheres. As the particle concentration increases at a given ionic strength, the magnitude of the first peak in structure factors increases and also moves to higher wave number values. The increase of electrostatic interaction between same charged particles caused by the Debye screening effect provides an increase in both the osmotic pressure and the shear modulus. The higher volume fraction ratio providing larger interparticle spacing yields decreasing high frequency limit of the shear modulus, due to decreasing the particle interaction energy.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.31 no.5
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• pp.435-447
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• 2007

Recently, as MEMS and NEMS devices have been widely used in the various engineering applications, the characteristics of nanoscale systems are investigated in the limelight. However, as opposed to a macroscale system, the identification of the state of nanoscale systems is extremely hard because they can include only the order of $10^3{\sim}10^5$ molecules, which requires highly expensive and accurate experimental apparatus for an investigation. This limitations make the study on nanoscale system use computer simulations. Therefore, it is strongly required to identify the state of nanoscale system simulated in computer simulation. In this molecular dynamics(MD) study, we suggest that the potential energy of individual molecule can be used as criterion for defining the state of clusters or nanoscale systems. In addition, we compared the phase state from the potential energy with one from the radial distribution function(RDF) for verification. The comparison showed that the intermolecular potential energy can be used as a criteria distinguishing the phase state of nanoscale systems.

• Current Applied Physics
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• v.18 no.11
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• pp.1313-1319
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• 2018

The coil-to-globule behavior of poly{${\gamma}$-2-[2-(2methoxyethoxy)ethoxy]ethoxy-3-caprolactone} (PMEEECL) as a ${\gamma}$-substituted poly (${\varepsilon}$-caprolactone) was investigated via atomistic molecular dynamics (MD) simulation. For this purpose, radius of gyration, end-to-end distance and radial distribution function of the chain in the presence of water were calculated. Consequently, the lower critical solution temperature (LCST) of PMEEECL chain at which the coil-to-globule transition takes place, was determined in each calculated parameter curve. The simulation results indicated that the LCST of PMEEECL was occurred at close to 320 K, which is in a good agreement with previous experimental results. Additionally, the appearance of sudden change in both Flory-Huggins interaction parameter (${\chi}$) and interaction energy between the PMEEECL chain and water molecules at about 320 K confirmed the calculated LCST result. The radial distribution function (RDF) results showed that the affinity of the PMEEECL side chain to water molecules is lower than its backbone.