• Proceedings of the KSME Conference
• /
• 2001.06d
• /
• pp.605-611
• /
• 2001

A numerical technique for simulating the aggregation of charged particles was presented with a Brownian dynamic simulation in the free molecular regime. The Langevin equation was used for tracking each particle making up an aggregate. A periodic boundary condition was used for calculation of the aggregation process in each cell with 500 primary particles of 16 nm in diameter. We considered the thermal force and the electrostatic force for the calculation of the particle motion. The morphological shape of aggregates was described in terms of the fractal dimension. The fractal dimension for the uncharged aggregate was $D_{f}=1.761$. The fractal dimension changed slightly for the various amounts of bipolar charge. However, in case of unipolar charge, the fractal dimension decreased from 1.641 to 1.537 with the increase of the average number of charges on the particles from 0.2 to 0.3 in initial states.

• Proceedings of the KSME Conference
• /
• 2001.06e
• /
• pp.643-648
• /
• 2001

The direct simulation Monte Carlo(DSMC) method is applied to investigate steady and unsteady flow fields of a single-stage disk-type drag pump. Two different kinds of pumps are considered: the first one is a rotor-rotor combination, and the second one is a rotor-stator combination. The pumping channels are cut on a rotor and stator. The rotor and stator have 10 Archimedes' spiral blades, respectively. In the present DSMC method, the variable hard sphere model is used as a molecular model, and the no time counter method is employed as a collision sampling technique. For simulation of diatomic gas flows, the Borgnakke-Larsen phenomenological model is adopted to redistribute the translational and internal energies. The DSMC results are in good agreement with the experimental data.

• The Korean Journal of Ceramics
• /
• v.5 no.1
• /
• pp.40-43
• /
• 1999

In order to investigate Sn substitution sites and interstitial O atoms in tin-doped indium oxide, molecular dynamics (MD) simulations were carried out. There are two kinds of cation sites in $In_2O_3$, namely b-site and d-site. NTP-MD simulations under the condition of 300 K and 0 GPa were performed with two kinds of cells substituted by Sn atoms at each site. The excess oxygen atom accompanied with Sn doping was also taken into consideration. According to the calculations of Sn potential energies in each site, it was revealed that Sn atoms were substituted for b-sites rather than for d-sites. It was also revealed that the interstitial excess oxygen atoms tend to be connected with the Sn atoms substituted for the d-sites Sn rather than for the b-site. There MD simulation results well agreed with the experimental results.

• 유체기계공업학회:학술대회논문집
• /
• 2000.12a
• /
• pp.82-87
• /
• 2000

The direct simulation Monte Carlo (DSMC) method is applied to investigate the flow field of a disk-type drag pump. The pumping channels are cut on both sides of a rotating disk. The rotor has 10 Archimedes' spiral blades. In the present DSMC method, the variable hard sphere model is used as a molecular model, and the no time counter method is employed as a collision sampling technique. For simulation of diatomic gas flows, the Larsen-Borgnakke phenomenological model is adopted to redistribute the translational and internal energies.

• Nuclear Medicine and Molecular Imaging
• /
• v.42 no.2
• /
• pp.127-136
• /
• 2008

Monte Carlo simulation methods are especially useful in studying a variety of problems difficult to calculate by experimental or analytical approaches. Nowadays, they are extensively applied to simulate nuclear medicine instrumentations such as single photon emission computed tomography (SPECT) and positron emission tomography (PET) for assisting system design and optimizing imaging and processing protocols. The goal of this paper is to address the practical issues, a potential user of Monte Carlo simulations for nuclear medicine can encounter, to help them to choose a code. This review introduces the different types of Monte Carlo codes currently available for nuclear medicine, comments main features and properties for a code to be proper for a given purpose, and discusses current research trends in Monte Carlo codes.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.19 no.3
• /
• pp.260-266
• /
• 2006

In this paper, We coupled fluid balance and director balance equation from Ericksen-Leslie's continuum theory and observed the motion of Liquid Crystal molecular. We simulated flow velocity and director distribution in which flow effect is considered in switching on and switching off state. We interpreted the dynamic response characteristic caused by the flow. As the result of the simulation, We could see the flow effect. In the case of Twisted Nematic(TN) cell, this flow caused abnormal twist temporarily in switching off state. We could prove that this abnormal twist is a direct cause of optical bounce phenomenon known well until now with the result of simulation. In addition, We analyzed the mechanism of the fast response due to flow in the case of Optically Compensated Bend(OCB) cell.

• International Journal of Safety
• /
• v.5 no.1
• /
• pp.10-16
• /
• 2006

A suspended hemispherical silicon asperity moving over a silicon plate was simulated. The simulation results on friction and wear in the interface between the two can help obtain more durable miscroscale structures. Silicon structures were constructed with Tersoff three-body potential. Dependence of friction and wear of the asperity on both the atomic arrangement in the plate and the moving direction was investigated under the condition that the asperity is subject to the attractive normal force due to the plate. The results show that the variation of friction force with the movement of asperity, and the occurrence of adhesive wear are attributed to the formation and rupture of asperity, junction between the asperity and the plate. The friction force and wear are smaller when the asperity is incommensurate with the plate, and they also depend on the moving direction of the asperity over the plate.

• Bulletin of the Korean Chemical Society
• /
• v.21 no.9
• /
• pp.875-881
• /
• 2000

We study the rheological properties of concentrated polymer solution and the melt under simple shear and elon-gational flow using Brownian dynamicssimulation. In order to describe the anisotropic molecular motion, we modifiedthe Giesekus' mobility tensor by incorporating the finitely extensible non-linear elastic (FENE) spring force into dumbbell model. To elucidate the nature of this model, our simulation results are compared with the data of FENE-P ("P"standsfor the Perterin) dumbbell model and experiments. While in steady state both original FENE and FENE-P models exhibit a similar viscosity response,the growthof viscosity becomes dissimilar as the anisotropy decreases and the flowrate increases. The steady state viscosity obtained from the simulation well describes the experiments including the shear-thinning behavior in shear flow and viscosity-thinning behavior in elongational flow. But the growth of viscosity oforiginal FENE dumbbell model cannot describe the experimental results in both flow fields.

• 한국전산유체공학회:학술대회논문집
• /
• 2005.10a
• /
• pp.11-19
• /
• 2005

First, methods of numerical analysis of gas-particle flows is classified into micro, meso and macro scale approaches based on the concept of multi-scale mechanics. Next, the explanation moves on to discrete particle simulation where motion of individual particles is calculated numerically using the Newtonian equations of motion. The author focuses on the cases where particle-to-particle interaction has significant effects on the phenomena. Concerning the particle-to-particle interaction, two cases are considered: the one is collision-dominated flows and the other is the contact-dominated flows. To treat this interaction mathematically, techniques named DEM(Distinct Element Method) or DSMC (Direct Simulation Monte Carlo) have been developed DEM, which has been developed in the field of soil mechanics, is useful for the contact -dominated flows and DSMC method, developed in molecular gas flows, is for the collision-dominated flows. Combining DEM or DSMC with CFD (computer fluid dynamics), the discrete particle simulation becomes a more practical tool for industrial flows because not only the particle-particle interaction but particle-fluid interaction can be handled. As examples of simulations, various results are shown, such as hopper flows, particle segregation phenomena, particle mixing in a rotating drum, dense phase pneumatic conveying, spouted bed, dense phase fluidized bed, fast circulating fluidized bed and so on.

• International Journal of Precision Engineering and Manufacturing
• /
• v.2 no.1
• /
• pp.62-75
• /
• 2001

The design and manufacture of injection molded polymeric parts with desired properties is a costly process dominated by empiricism including repeated modification of actual tooling. This paper presents and expert design evaluation system which can predict the mechanical performance of a molded product and diagnose the design before the actual mold is machined. The knowledge-based system synergistically combines a rule-based expert system with CAE programs. An iterative boundary pressure reflection method(IBPR) is developed to automate the cavity filling simulation program and to predict thermo-mechanical properties of a molded part precisely. Mathematical models of weldline and frozen-in molecular orientation are established to determine the spatial variation of microstructural anisotropies of a molded part from the result of cavity filling simulation. The strength ellipse is devised as and index which represents th spatial distribution of the microstructural anisotropies of a molded part, Heuristic knowledge of injection molding, flow simulation, and mechanical performance prediction is formalized as rules of an expert consultation system. The expert system interprets the analytical results of the process simulation, predicts the performance, evaluates the design and generates recommendations for optimal design alternative.