• Composites Research
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• v.30 no.4
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• pp.247-253
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• 2017

In this study, the mechanical behavior and interface properties of boron nitride nanotube-poly(methyl methacrylate) nanocomposites are predicted using the molecular dynamics simulations and the double inclusion model. After modeling nanocomposite unit cell embedding single-walled nanotube and polymer, the stiffness matrix is determined from uniaxial tension and shear tests. Through the orientation average of the transversely isotropic stiffness matrix, the effective isotropic elastic constants of randomly dispersed microstructure of nanocomposites. Compared with the double inclusion model solution with a perfect interfacial condition, it is found that the interface between boron nitride nanotube and polymer matrix is weak in nature. To characterize the interphase surrounding the nanotube, the two step domain decomposition method incorporating a linear spring model at the interface is adopted. As a result, various combinations of the interfacial compliance and the interphase elastic constants are successfully determined from an inverse analysis.

• Korean Journal of Construction Engineering and Management
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• v.17 no.1
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• pp.28-39
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• 2016

Since 2002, Korea Government has introduced Green Standard for Energy and Environmental Design Certification for reducing GHG emission in building area. However, total number of G-SEED Certification is only around 1% of total number of approved apartment buildings despite the various boosting policies. In this situation, most boosting policies and policy improvement researches are leaning toward the supplier's aspect. However, comprehensive relation and dynamics between consumer and supplier has to be considered because housing market is operated by market participants' mutual interaction. Therefore, this research presents system dynamics models based on decision making analysis of consumer and supplier in G-SEED Certification apartment building market. Then, this research evaluate the validity of boosting policies using the model. The proposed analysis can assist government to make next G-SEED Certification boosting policy.

• Journal of the Korean Vacuum Society
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• v.17 no.2
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• pp.81-89
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• 2008

Atomic behavior during ion beam sputtering was investigated by using classical molecular dynamics simulation. When Ar ion bombards on Au and Pd(001) surface with various incidence energies and angles, some atoms which gained substantial energy by impacting Ar ion were sputtered out and, simultaneously, others were landed on the surface as if surface atoms were redeposited. It was observed that the redeposited atoms are five times for Au and three times for Pd as many as sputtered atoms irrespective of both incidence energy and angle. From sequential ion bombarding calculations, contrary to the conventional concepts which have described the mechanism of surface pattern formation based only on the erosion theory, the redeposition atoms were turned out to play a significant role in forming the surface patterns.

• Membrane Journal
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• v.30 no.4
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• pp.242-251
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• 2020

Computer simulation tools mainly used for polymer materials and polymeric membranes are divided into various fields depending on the size of the object to be simulated and the time to be simulated. The computer simulations introduced in this review are classified into three categories: Quantum mechanics (QM), molecular dynamics (MD), and mesoscale modeling, which are mainly used in computational material chemistry. The computer simulation used in polymer research has different research target for each kind of computational simulation. Quantum mechanics deals with microscopic phenomena such as molecules, atoms, and electrons to study small-sized phenomena, molecular dynamics calculates the movement of atoms and molecules calculated by Newton's equation of motion when a potential or force of is given, and mesoscale simulation is a study to determine macroscopically by reducing the computation time with large molecules by forming beads by grouping atoms together. In this review, various computer simulation programs mainly used for polymers and polymeric membranes divided into the three types classified above will be introduced according to each feature and field of use.

• The KSFM Journal of Fluid Machinery
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• v.20 no.1
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• pp.15-20
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• 2017

The small turbocharger for the automotive application is designed to operate up to 200,000 rpm to increase system efficiency. Because of high rotation speed of turbocharger, floating ring bearing are widely adopted due to its low friction loss and high rotordynamic stability. This paper presents a linear and nonlinear analysis model for a turbocharger rotor supported by a semi-floating ring bearing. The rotordynamic model for the turbocharger rotor was constructed based on the finite element method and fluid film forces were calculated based on the infinitely short bearing assumption. In linear analysis, we considered fluid film force as stiffness and damping element and in nonlinear analysis, the fluid film force was calculated by solving the time dependent Reynolds equation. We verified the developed theoretical model by comparing to modal test results of test rotors. The analysis results show that there are two unstable modes, which are conical and cylindrical modes. These unstable modes appear as sub-synchronous vibrations in nonlinear analysis. In nonlinear analysis, frequency jump phenomenon demonstrated when vibration mode is changed from conical mode to cylindrical one. This jump phenomenon was also demonstrated in the test. However, the natural frequency measured in the test differs from those obtained using nonlinear analysis.

• Transactions of the Korean hydrogen and new energy society
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• v.24 no.1
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• pp.76-83
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• 2013

Polymer electrolyte membrane fuel cells (PEMFCs) are regarded as a promising alternative to replace the existing automotive power sources. To get high performance and long-term durability for PEMFC systems, novel water management is essential. To this end, a comprehensive understanding of dynamics of the liquid water droplets within an operating PEMFC plays an important role. In this work, direct visualization of dynamic behaviors of the water droplet in the ex situ unit flow channel of a PEMFC including gas diffusion layer (GDL) is carried out as one of the fundamental studies for novel water management. Water droplet dynamics such as the movement and growth of liquid water droplets are mainly presented. Effects of GDL characteristics and inlet air flow rate on the water droplet transport and its removal from the flow channel are also discussed. The data obtained in this study can contribute to build up the fundamental operating strategy including balanced water removal capacity for automotive PEMFC systems.

• Composites Research
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• v.31 no.6
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• pp.371-378
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• 2018

In this study, the thermoelastic properties of poly lactic acid (PLA) based nanocomposites are predicted by molecular dynamics (MD) simulation and a micromechanics model. The stereocomplex mixed with L-lactic acid (PLLA) and D-lactic acid (PDLA) is modeled as matrix phase and a single walled carbon nanotube is embedded as reinforcement. The glass transition temperature, elastic moduli and thermal expansion coefficients of pure matrix and nanocomposites unit cells are predicted though ensemble simulations according to the hydrolysis. In micromechanics model, the double inclusion (D-I) model with a perfect interface condition is adopted to predict the properties of nanocomposites at the same composition. It is found that the stereocomplex nanocomposites show prominent improvement in thermal stability and interfacial adsorption regardless of the hydrolysis. Moreover, it is confirmed from the comparison of MD simulation results with those from the D-I model that the interface between CNT and the stereocomplex matrix is slightly weak in nature.

• International Journal of Naval Architecture and Ocean Engineering
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• v.13 no.1
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• pp.102-114
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• 2021

Biofouling represents an important problem in the shipping industry since it causes the increase in surface roughness. The most of ships in the current world fleet do not have good coating condition which represents an important problem due to strict rules regarding ship energy efficiency. Therefore, the importance of the control and management of the hull and propeller fouling is highlighted by the International Maritime Organization and the maintenance schedule optimization became valuable energy saving measure. For adequate implementation of this measure, the accurate prediction of the effects of biofouling on the hydrodynamic characteristics is required. Although computational fluid dynamics approach, based on the modified wall function approach, has imposed itself as one of the most promising tools for this prediction, it requires significant computational time. However, during the maintenance schedule optimization, it is important to rapidly predict the effect of biofouling on the ship hydrodynamic performance. In this paper, the effect of biofilm on the ship hydrodynamic performance is studied using the proposed performance prediction method for three merchant ships. The applicability of this method in the assessment of the effect of biofilm on the ship hydrodynamic performance is demonstrated by comparison of the obtained results using the proposed performance prediction method and computational fluid dynamics approach. The comparison has shown that the highest relative deviation is lower than 4.2% for all propulsion characteristics, lower than 1.5% for propeller rotation rate and lower than 5.2% for delivered power. Thus, a practical tool for the estimation of the effect of biofouling with lower fouling severity on the ship hydrodynamic performance is developed.

• 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.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.28 no.4A
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• pp.529-536
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• 2008

The failure behavior of structures is changed under different loading rates, which might arise from the rate dependency of materials. This phenomenon has been focused in the engineering fields. However, the failure mechanism is not fully understood yet, so that it is hard to be implemented in numerical simulations. In this study, the numerical experiments to a brittle material are simulated by the Molecular Dynamics (MD) for understanding the rate dependent failure behavior. The material specimen with a notch is modeled for the compact tension test simulation. Lennard-Jones potential is used to describe the properties of a brittle material. Several dynamic failure features under 6 different loading rates are achieved from the numerical experiments, where remarkable characteristics such as crack roughness, crack recession/arrest, and crack branching are observed during the crack propagation. These observations are interpreted by the energy inflow-consumption rates. This study will provides insight about the dynamic failure mechanism under different loading rates. In addition, the applicability of the MD to the macroscopic mechanics is estimated by simulating the previous experimental research.