• Proceedings of the Korean Vacuum Society Conference
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• 2010.02a
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• pp.358-358
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• 2010

Ion beam bombardment at low energy forms nanosize patterns such as ripples, dots or wrinkles on the surface of polymers in ambient temperature and pressure. It has been known that the ion beam can alter the polymer surface that induces skins stiffer or the density higher by higher compressive stress or strain energies associated with chain scissions and crosslinks of the polymer. Atomic scale structure evolution in polymers is essential to understand a stress generation mechanism during the ion beam bombardment, which governs the nanoscale surface structure evolution. In this work, Molecular Dynamics (MD) simulations are employed to characterize the phenomenon occurred in bombardment between the ion beam and polymers that forms nanosize patterns. We investigate the structure evolution of Low Density Polyethylene (LDPE) at 300 K as the polymer is bombarded with Argon ions having various kinetic energies ranging from 100 eV to 1 KeV with 50 eV intervals having the fluence of $1.45\;{\times}\;1014 #/cm2$. These simulations use the Reactive Force Field (ReaxFF), which can mimic chemical covalent bonds and includes van der Waals potentials for describing the intermolecular interactions. The results show the details of the structural evolution of LDPE by the low energy Ar ion bombardment. Analyses through kinetic and potential energy, number of crosslinks and chain scissions, level of local densification and motions of atoms support that the residual strain energies on the surface is strongly associated with the number of crosslinks or scissored chains. Also, we could find an optimal Ar ion beam energy to make crosslinks well.

• Composites Research
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• v.30 no.6
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• pp.371-378
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• 2017

In this study, hygroelastic behavior of thermosetting epoxy is predicted by molecular dynamics simulations. Since consistent exposures to humid environments lead to macroscopic degradation of polymer composite, computational simulation study of the hygroscopically aged epoxy cell is essential for long-time durability. Therefore, we modeled amorphous epoxy molecular unit cell structures at a crosslinking ratio of 30, 90% and with the moisture weight fraction of 0, 4 wt% respectively. Diglycidyl ether of bisphenol F (EPON862) and triethylenetetramine (TETA) are chosen as resin and curing agent respectively. Incorporating equilibrium and non-equilibrium ensemble simulation with a classical interatomic potential, various hygroelastic properties including diffusion coefficient of water, coefficient of moisture expansion (CME), stress-strain curve and elastic modulus are predicted. To establish the structural property relationship of pure epoxy, free volume and internal non-bond potential energy of epoxy are examined.

• Journal of the Korean Society of Propulsion Engineers
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• v.22 no.4
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• pp.24-35
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• 2018

Impeller blades in the centrifugal compressor are subjected to periodic aerodynamic excitations by interactions between the impeller and the diffuser vanes (DV) in resonant conditions. This may cause high cycle fatigue (HCF) and eventually result in failure of the blades. In order to predict the structural response accurately, the aerodynamic excitation and the major resonant conditions were predicted using unsteady computational fluid dynamics (CFD) and structural analysis. Then, a forced vibration analysis was performed by going through one-way fluid-structure interaction (FSI). A numerical analysis procedure was established to evaluate the structural safety with respect to HCF. The numerical analysis procedure proposed in this paper is expected to contribute toward preventing HCF problems in the initial design stage of an impeller.

• Textile Coloration and Finishing
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• v.34 no.1
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• pp.27-37
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• 2022

In this study, a study and interpretation of the spinning process in copolymerized aramid spinning was conducted. In order to proceed with the spinning process modeling and analysis, the spinning process was modeled through the physical property modeling of the spinning solution and the structural modeling of the spinneret, and structural stability and flow of the spinneret for this spinning were analyzed. After modeling the spinning solution and the spinneret in a virtual space, the pack pressure and flow rate when the spinning solution was discharged were simulated. Macroscopically, the structural stability of the spinneret was confirmed at the standard pack pressure (100 kg·f/cm²), and microscopically, the flow rate and pressure drop data of the spinning solution according to the L/D(Length (L)/Diameter (D)) value were analyzed. Based on the research and development of virtual engineering modeling and analysis, we present the possibility of changing the shape and mechanical properties of copolymer aramid fibers according to the spinning process.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.20 no.3
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• pp.287-292
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• 2007

In general, the response of bulk material is independent of its size when it comes to considering classical elasticity theory. Because the surface to bulk ratio of the large solids is very small, the influence of surface can be negligible. But the surface effect plays important role as the surface to bulk ratio becomes larger, that is, the contribution of the surface effect must be considered in nano-size elements such as thin film or beam structure. Molecular dynamics computation has been a conventional way to analyze these ultra-thin structures but this method is limited to simulate on the order of $10^6{\sim}10^9$ atoms for a few nanoseconds, and besides, very time consuming. Analysis of structures in submicro to micro range(thin-film, wire etc.) is difficult with classical molecular dynamics due to the restriction of computing resources and time. Therefore, in this paper, the continuum-based method is considered to simulate the overall physical and mechanical properties of the structures in nano-scale, especially, for the thin-film.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.26 no.6
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• pp.423-430
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• 2013

In this research, a paramteric study to account for the effect of interfacial strength and nanotube agglomeration on the elastoplastic behavior of carbon nanotube reinforced polypropylene composites is performed. At first, the elastoplastic behavior of nanocomposites is predicted from molecular dynamics(MD) simulations. By combining the MD simulation results with the nonlinear micromechanics model based on the Mori-Tanaka model, a two-step domain decomposition method is applied to inversely identify the elastoplastic behavior of adsorption interphase zone inside nanocomposites. In nonlinear micromechanics model, the secant moduli method combined with field fluctuation method is used to predict the elastoplastic behavior of nanocomposites. To account for the imperfect material interface between nanotube and matrix polymer, displacement discontinuity condition is applied to the micromechanics model. Using the elastoplastic behavior of the adsorption interphase zone obtained from the present study, stress-strain relation of nanocomposites at various interfacial bonding condition and local nanotube agglomeration is predicted from nonlinear micromechanics model with and without the adsorption interphase zone. As a result, it has been found that local nanotube agglomeration is the most important design factor to maximize reinforcing effect of nanotube in elastic and plastic behavior.

• Journal of The Korean Society of Agricultural Engineers
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• v.57 no.5
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• pp.51-60
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• 2015

In Korea, 69.4 % of duck farms had utilized conventional plastic greenhouses. In this facilities, there are difficulties in controlling indoor environments for raising duck. High rearing density in duct farms also made the environmental control difficult resulting in getting more stressed making their immune system weaker. Therefore, a facility is needed to having structurally enough solidity and high efficiency on the environmental control. So, new design plans of duck house have recently been conducted by National Institute of Animal Science in Korea. As a study in advance to establish standard, computational fluid dynamics (CFD) was used to estimate the aerodynamic problems according to the designs by means of overall and regional ventilation efficiencies quantitatively and qualitatively. Tracer gas decay (TGD) method was used to calculate ventilation rate according to the structural characteristics of duck houses including installation of indoor circulation fan. The results showed that natural ventilation rate was averagely 164 % higher than typically designed ventilation rate, 1 AER ($min^{-1}$). Meanwhile, mechanically ventilated duck houses made 81.2 % of summer ventilation rate requirement. Therefore, it is urgent to develop a new duck house considering more structural safety as well as higher efficiency of environmental control.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.22 no.4
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• pp.343-348
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• 2009

In this study, an efficient sequential bridging method to characterize both the particle size effect and concentration effect on the mechanical properties of nanocomposites at high volume fraction is suggested through a molecular dynamics(MD) simulations and micromechanics of composites materials. The Young's modulus and the shear modulus of the nanocomposites at various particle radius and at 12% volume fraction were obtained from MD simulations and multi-inclusion model was adopted to describe both modulus in continuum model. In order to describe the particle size effect, an additional phase, effective interface, was adopted as characteristic phase and the non-dilute concentration effect which appears at 12% volume fraction was describe via the variation of the elastic modulus of the infinite medium. Both the elastic modulus of the interface and infinite medium were fitted into functions of particle radius for the applicability of the present bridging method at various particle radii. Using the present bridging method the elastic modulus of the nanocomposites was efficiently obtained with accuracy. In addition, the effect of the interface thickness and modulus on the elastic modulus of the nanocomposite was investigated.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.12 no.2
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• pp.985-992
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• 2011

The 3D computational fluid dynamics (CFD) was performed in relation to the internal fluid characteristics and flow distribution for the development of the most optimal model in the complex post-disposal device. As it is expected that a channeling (drift) would be made by the semi-dry reactor due to the large difference in the flow distribution by the compartment in the bag filter, a structural improvement should be urgently made for more uniformed flow distribution in the bag filter. Three types of modifications such as i) changing the plenum shape, ii) orifice install in the exit part of cleaned gas, iii) increasing the plenum number were established. From the results of computational fluid dynamics, it was revealed that the changing of plenum shape and orifice install in the exit part of cleaned gas was more reasonable than the increasing the plenum number because of the difficulties of retrofit. The complex post-disposal device, modified and supplemented with this analysis, integrated the semi-dry reactor and the bag filter in a single body, so it follows that the improvement can make the device compact, save the installation area, save the operation fee, and management more convenient.

• Journal of computational fluids engineering
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• v.21 no.4
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• pp.33-39
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• 2016

Generally, thermal analysis of spent fuel storage cask has been conducted using the porous media and effective thermal conductivity model to simplify the structural complexity of spent fuel assemblies. As the fuel assembly is composed of two regions; active fuel region corresponding to UO2 pellets and unactive fuel region corresponding to the top and bottom nozzle, the heat transfer performance can be influenced depending on porous media application at these regions. In this study, numerical analysis on concrete storage cask of spent fuel was performed to investigate heat transfer effects for two cases; one was porous media application only to active fuel region(case 1) and the other one was porous media to whole length of fuel assembly(case 2). Using computational fluid dynamics code, the three dimensional, 1/4 symmetry model was constructed. For two cases, maximum temperatures for each component were evaluated below the allowable limits. For the case 1, maximum temperatures for fuel cladding, neutron absorber and baskets inside the canister were slightly higher than those for the case 2. In particular, even though the helium flows with low velocity due to buoyant forces occurred at the top and bottom of unactive fuel region, treating only active fuel region as the porous media was ineffective in respect of the heat removal performance of concrete storage cask, implying a conservative result.