• Transactions of Materials Processing
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• v.26 no.5
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• pp.286-292
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• 2017

Magnesium alloy shows strong anisotropy and asymmetric behavior in tension and compression curve, especially at room temperature. These characteristics limit the application of finite element method (FEM) which is based on conventional continuum mechanics. To accurately predict the material behavior of magnesium alloy at microstructural level, a methodology of fully coupled multiscale simulation is presented and a crystal plasticity model as a constitutive equation in the simulation of metal forming process is introduced in this study. The existing constitutive equation for rigid plastic FEM is modified to accommodate deviatoric stress component and its derivatives with respect to strain rate components. Viscoplastic self-consistent (VPSC) polycrystal model was selected as a constitutive model because it was regarded as the most robust model compared to Taylor model or Sachs model. Stiffness matrix and load vector were derived based on the new approach and implemented into $DEFORM^{TM}-3D$ via a user subroutine handling stiffness matrix at an elemental level. The application to extrusion and rolling process of pure magnesium is presented in this study to assess the validity of the proposed multiscale process.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.325-325
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• 2011

Very initial stage of oxidation process of Si (001) surface at room temperature (300 K) and high temperature (1200 K) was investigated using large scale molecular dynamics simulation. Reactive force field potential [1] was used for the simulation owing to its ability to handle charge variation as well as breaking and forming of bonds associated with the oxidation reaction. The results show that oxygen molecules adsorb dissociatively or otherwise leave the silicon surface. Initial position and orientation of oxygen molecule above the surface play important role in determining final state and time needed to dissociate. At 300 K, continuous transformation of ion $Si^+$ (or suboxide Si2O) to $Si2^+$ (SiO), $Si3^+$ (Si2O3) and finally to $Si4^+$ (SiO2) clearly observed. High temperature silicon surface provide heat energy that enable oxygen atom to penetrate into deeper silicon surface. The heat energy also retards adsorption process. As a result, transformation of ion $Si^+$ is impeded at 1200 K.

• Proceedings of the Korean Vacuum Society Conference
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• 2011.02a
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• pp.433-433
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• 2011

Since the concept of graphene was established, it has been intensively investigated by researchers. The unique characteristics of graphene have been reported, the graphene attracted a lot of attention for material overcomes the limitations of existing semiconductor materials. Because of these trends, economical fabrication technique is becoming more and more important topic. Especially, the epitaxial growth method by sublimating the silicon atoms on Silicon carbide (SiC) substrate have been reported on the mass production of high quality graphene sheets. Although SiC exists in a variety of polytypes, the 3C-SiC polytypes is the only polytype that grows directly on Si substrate. To practical use of graphene for electronic devices, the technique, forming the graphene on 3C-SiC(111)/Si structure, is much helpful technique. In this paper, we report on the growth of graphene on 3C-SiC(111) surface. To investigate the morphology of formed graphene on the 3C-SiC(111) surface, the radial distribution function (RDF) was calculated using molecular dynamics (MD) simulation. Through the comparison between the kinetic energies and the diffusion energy barrier of surface carbon atoms, we successfully determined that the graphitization strongly depends on temperature. This graphitization occurs above the annealing temperature of 1500K, and is also closely related to the behavior of carbon atoms on SiC surface. By analyzing the results, we found that the diffusion energy barrier is the key parameter of graphene growth on SiC surface.

• Nuclear Engineering and Technology
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• v.35 no.1
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• pp.55-63
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• 2003

Threshold porosity above which fission gas release channels would be formed in the rim egion of high burnup UO$_2$ fuel was estimated by the Monte Carlo method and Hoshen-Kopelman algorithm. With the assumption that both rim pore and rim grain can be represented by cube, pore distribution in the rim was simulated 3-dimensionally by the Monte Carlo method according to porosity and pore size distribution. Then, using the Hoshen-Kopelman algorithm, the fraction of open rim pores interlinked to the outer surface of a fuel pellet was derived as a function of rim porosity. The simulation showed that porosity of 24-25% is the threshold above which the number of rim pores forming release channels increases very rapidly. On the other hand, channels would not be formed if the porosity is less than about 23.5%. This is consistent with the observation that, for porosity less than 23.5%, almost no fission gas is released in the rim. However, once the rim porosity reaches beyond 25%, extensive open paths would be developed and considerable fission gas release would start in the rim.

• Bulletin of the Korean Chemical Society
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• v.31 no.11
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• pp.3195-3200
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• 2010

We have performed molecular dynamics simulations of atomistic models of $C_{60}$ molecules and DMPC bilayer membranes to study the static and dynamic effects of carbon nanoparticles on biological membranes. All four $C_{60}$-membrane systems were investigated representing dilute and concentrated solutions of $C_{60}$ residing either inside or outside the membrane. The concentrated $C_{60}$ molecules in water phase start forming an aggregated cluster. Due to its heavy mass, the cluster tends to adhere on the surface of the bilayer membrane, hindering both translational and rotational diffusion of individual $C_{60}$. On the other hand, once $C_{60}$ molecules accumulate inside the membrane, they are well dispersed in the central region of the bilayer membrane. Because of the homogeneous dispersion of $C_{60}$ inside the membrane, each leaflet is pushed away from the center, making the bilayer membrane thicker. This thickening of the membrane provides more room for both translational and rotational motions of $C_{60}$ inside the membrane compared to that in the water region. As a result, the dynamics of $C_{60}$ inside the membrane becomes faster with increasing its concentration.

• IE interfaces
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• v.23 no.4
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• pp.300-310
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• 2010

This paper is about an optimal investment portfolio strategy. Financial data of stocks, bonds, and savings from January 2. 2001 through October 30. 2009 were utilized in order to suggest the optimal portfolio strategies. Fundamental analysis and technical analysis were used in stocks-related strategy, whereas passive investment strategy and active investment strategy were used in bond-related strategy. The score is assigned to each stock index according to the suggested strategies and set trading rules are based on the scores. The simulation has been executed about each 29,400-portfolios and we figured out with the simulation result that 26.75% of 7,864 portfolios are more profitable than average stock market profit (22.6%, Annualized). The outcome of this research is summarized in two parts. First, it's the rebalancing strategy of portfolio. The result shows that value-oriented investment(long-term investment) strategy yields much higher than short-term investment strategies of stocks or active investment of bonds. Second, it's about the rebalancing cycle forming the portfolios. The result shows that the rate of return for the portfolio is the best when rebalancing cycle is 12 or 18 months.

• Nuclear Engineering and Technology
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• v.52 no.10
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• pp.2394-2401
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• 2020

Octadecylamine is an effective film-forming amine that protects carbon steel from corrosion. In the present study, the effect of octadecylamine concentration on adsorption on a carbon steel surface was investigated in anaerobic alkaline solution by using SEM/EDS, TEM and the Materials Studio simulation techniques. TEM morphology observation and EDS elemental detection determine the thicknesses of octadecylamine film on a carbon steel surface, which are confirmed by the in-situ electrochemical impedance spectroscopy measurement and resistance calculation. The Materials Studio simulation reveals the number of octadecylamine film layers at different concentrations. Results obtained in this study indicate that adsorption of octadecylamine film on carbon steel proceeds with the multi-layer adsorption mechanism.

• Proceedings of the Korea Concrete Institute Conference
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• 2006.11a
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• pp.365-368
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• 2006

RBSN Method, Rigid-Body-Spring Network Method, is a structural analysis method that overcomes the problems faced in FEM analysis of concrete or crack forming structures. In RBSN, irregular lattices are used to model structural components consisting of bulk material, curvilinear reinforcements, and their interfaces. Because reinforcements and their interfaces in the bulk material are freely positioned, meshing is irrespective of the geometry of the representing bulk material. In this paper, RBSN method of 3D is applied in simulating the pull-out test of FRP (Fiber Reinforced Polymer) embedded in concrete. The comparison of analysis results to experimental results shows that RBSN method simulates the shear-slip behavior very precisely. From the analysis results, 3D RBSN method is proven to be an effective and accurate analysis method for concrete structural analysis. Also, the results show that RBSN method can be a potential analysis method for concrete structures that can replace the current FEM analysis.

• International Journal of Ocean System Engineering
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• v.1 no.1
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• pp.46-51
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• 2011

In a line heating process for hull forming, the phase of the steel transforms from austenite to martensite, bainite, ferrite, or pearlite depending on the actual speed of cooling following line heating. In order to simulate the water cooling process widely used in shipyards, a heat transfer analysis on the effects of impinging water jet, film boiling, and radiation was performed. From the above simulation it was possible to obtain the actual speed of cooling and volume percentage of each phase in the inherent strain region of a line heated steel plate. Based on the material properties calculated from the volume percentage of each phase, it should be possible to predict the plate deformations due to line heating with better precision. Compared to the line heating experimental results, the simulated water cooling process method was verified to improve the predictability of the plate deformation due to line heating.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.26 no.2
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• pp.261-268
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• 2002

Turbulent flow past a square cylinder confined in a channel is numerically investigated by Large Eddy Simulation(LES). The main objectives of this study are to verify the experimental results of Nakagawa et al.[Exp. in Fluids, Vol. 27, 3, pp. 284∼294, 1999] by LES and to obtain related flow information in detail. The LES results obtained are in excellent agreement with the experiment both qualitatively and quantitatively. The passive paticles numerically released into the flow field clearly show the barman vortex street. However, the vortices shed from the cylinder are significantly affected by the presence of the plates. Futhermore, periodic and alternating vortex-rollups are observed in the vicinity of the plates. The rolled-up vortex is convected downstream together with the corresponding Karman vortex forming a counter-rotating vortex pair. It is also revealed that the cylinder greatly enhances mixing process of the flow.