• 한국전산유체공학회:학술대회논문집
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• 2006.05a
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• pp.139-142
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• 2006

• Interaction and multiscale mechanics
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• v.4 no.3
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• pp.219-237
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• 2011

Recent advances in scientific computing enable the full atomistic simulation of DNA molecules. However, there exists length and time scale limitations in molecular dynamics (MD) simulation for large DNA molecules. In this work, a two-level homogenization of DNA molecules is proposed. A wavelet projection method is first introduced to form a coarse-grained DNA molecule represented with superatoms. The coarsened MD model offers a simplified molecular structure for the continuum description of DNA molecules. The coarsened DNA molecular structure is then homogenized into a three-dimensional beam with embedded molecular properties. The methods to determine the elasticity constants in the continuum model are also presented. The proposed continuum model is adopted for the study of mechanical behavior of DNA loop.

• Interaction and multiscale mechanics
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• v.2 no.2
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• pp.189-207
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• 2009

Dynamics of the electric system for the toroidal drive under mechanical disturbance is presented. Using the method of perturbation, free vibrations of the electric system under mechanical disturbance are studied. The forced responses of the electric system to voltage excitation under mechanical disturbance are also presented. We show that as the time grows, the resonance vibration caused by voltage excitation still exists and the vibrations caused by mechanical disturbance are enlarged. The coupled resonance vibration caused by mechanical disturbance and voltage excitation is discussed. The conditions of the occurrence of coupled resonance are studied.

• 한국전산유체공학회:학술대회논문집
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• 2010.05a
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• pp.581-583
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• 2010

The report summarizes research activities in the Multiscale Energy System Laboratory at Sogang University during September 2009 and February 2010. They are mostly about molecular dynamics simulation of osmotic flows at nanoscale.

• Multiscale and Multiphysics Mechanics
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• v.1 no.1
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• pp.65-76
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• 2016

In this study, an influence of local variation of nanoparticulate volume fraction on the homogenized elastic properties is investigated. It is well known that interface effect is dependent on the radius and volume fraction of reinforced nanofillers. However, there is no study on the multiscale modeling and analysis of polymer nanocomposites including polydispersed nanoparticles with consideration of interphase zone, which is dependent on the volume fraction of corresponding nanoparticles. As results of numerical examples, it is confirmed that an influence of local variation of nanoparticulate volume fraction should be considered for non-dilute system such as cluster of nanoparticles. Therefore representative volume element analysis is conducted by considering local variation of nanoparticle volume fraction in order to analyze the practical size of cell including hundreds of nanoparticles. It is expected that this study could be extended to the multiparticulate nanocomposite systems including polydispersed nanoparticles.

• Membrane Journal
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• v.20 no.1
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• pp.29-39
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• 2010

This study focuses on the modeling of DMFC to predict the characteristics and to improve its performance. This modeling requires deep understanding of the design and operating parameters that influence on the cell potential. Furthermore, the knowledge with reference to electrochemistry, transport phenomena and fluid dynamics should be employed for the duration of mathematical description of the given process. Considering the fact that MEA is the nucleus of DMFC, special attention was made to the development of mathematical model of MEA. Multiscale modeling is comprised of process modeling as well as a computational fluid dynamics (CFD) modeling. The CFD packages and process simulation tools are used in simulating the steady-state process. The process simulation tool calculates theelectrochemical kinetics as well as the change of fractions, and at the same time, CFD calculates various balance equations. The integrated simulation with multiscal modeling explains experimental observations of transparent DMFC.

• Transactions of the Korean Society of Pressure Vessels and Piping
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• v.10 no.1
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• pp.113-121
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• 2014

In this work, an integrated model including molecular dynamics and chemical rate theory was implemented to calculate the growth of point defect clusters(PDC) and copper-rich precipitates(CRP) which could change the mechanical properties of reactor pressure vessel(RPV) steels in a nuclear power plant. A number of time-dependent differential equations were established and numerically integrated to estimate the evolution of irradiation defects. The calculation showed that the concentration of the vacancies was higher than that of the self-interstitial atoms. The higher concentration of vacancies induced a formation of the CRPs in the later stage. The size of the CRPs was used to estimate the mechanical property changes in RPV steels, as is the same case with the PDCs. The calculation results were compared with the measured values of yield strength change and Charpy V-notch transition temperature shift, which were obtained from the surveillance test data of Korean light water reactors(LWRs). The estimated values were in fair agreement with the experimental results in spite of the uncertainty of the modeling parameters.

• Interaction and multiscale mechanics
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• v.4 no.4
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• pp.291-311
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• 2011

To simulate the self excited torsional vibrations of rotating drill strings (DSs) in vertical bore-holes, the nonlinear wave models of homogeneous and sectional torsional pendulums are formulated. The stated problem is shown to be of singularly perturbed type because the coefficient appearing before the second derivative of the constitutive nonlinear differential equation is small. The diapasons ${\omega}_b\leq{\omega}\leq{\omega}_l$ of angular velocity ${\omega}$ of the DS rotation are found, where the torsional auto-oscillations (of limit cycles) of the DS bit are generated. The variation of the limit cycle states, i.e. birth (${\omega}={\omega}_b$), evolution (${\omega}_b<{\omega}<{\omega}_l$) and loss (${\omega}={\omega}_l$), with the increase in angular velocity ${\omega}$ is analyzed. It is observed that firstly, at birth state of bifurcation of the limit cycle, the auto-oscillation generated proceeds in the regime of fast and slow motions (multiscale motion) with very small amplitude and it has a relaxation mode with nearly discontinuous angular velocities of elastic twisting. The vibration amplitude increases as ${\omega}$ increases, and then it decreases as ${\omega}$ approaches ${\omega}_l$. Sectional drill strings are also considered, and the conditions of the solution at the point of the upper and lower section joints are deduced. Besides, the peculiarities of the auto-oscillations of the sectional DSs are discussed.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2010.04a
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• pp.554-557
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• 2010

본 논문에서는 동일한 체적분율 가지는 탄소나노튜브 나노복합재의 기계적 특성을 규명하였다. 동일한 chirality를 가지는 서로 다른 크기의 탄소나노튜브를 이용하여 탄소나노튜브의 크기가 복합재의 물성에 미치는 영향을 규명하였다. 복합재료의 분자동역학의 결과 탄소나노튜브의 길이방향의 물성은 크게 증가하나, 전단특성의 물성 강화효과를 나타나지 않았다. 이는 통해 탄소나노튜브와 기지재료 사이의 상호작용력이 복합재료의 전단력을 전달하고, 변형을 유지할 만큼 강하지 않다는 것을 확인하였다. 이와 같은 분자동역학 결과를 바탕으로 멀티스케일 모델을 개발하여 복합재료에서 나타나는 현상을 묘사하였다. 제안된 멀티스케일 모델을 이용하여 다양한 조건의 복합재료에 대한 특성 예측이 가능하다.

• Environmental Engineering Research
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• v.10 no.2
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• pp.88-103
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• 2005

In this paper, data-driven modeling and multiresolution analysis (MRA) are applied for a full-scale wastewater treatment plant (WWTP). The proposed method is based on modeling by partial least squares (PLS) and multiscale monitoring by a generic dissimilarity measure (GDM), which is suitable for nonstationary and non-normal process monitoring such as a biological process. Case study in an industrial plant showed that the PLS model could give good modeling performance and analyze the dynamics of a complex plant and MRA was useful to detect and isolate various faults due to its multiscale nature. The proposed method enables us to show the underlying phenomena as well as to filter out unwanted and disturbing phenomena.