• Korean Chemical Engineering Research
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• 제46권6호
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• pp.1087-1094
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• 2008

본 연구는 활성탄을 사용한 n-hexane의 흡착공정에 있어서 분자수준에서 시작하여 공정단계에 이르는 다중규모 모사에 관하여 기술한다. 분자모사에서는 GCMC(Grand Canonical Monte Carlo) 방법을 이용하여 활성탄에서 n-hexane의 등온흡착식을 예측하고, 2차원 전산유체역학(CFD; Computational fluid dynamics) 모사를 통하여 흡착컬럼 내 유체흐름에 대한 수력학적 특성을 파악한다. 공정모사단계에서는 분자모사 및 유체역학 모사에서 각각 얻은 등온흡착식과 축방향 확산계수값을 이용하여 n-hexane의 용출곡선을 얻는다. 이러한 3단계 다중규모 모사기법을 활용하여 얻은 공정모사 결과는 펄스응답의 실험결과와 비교해볼 때, 온도와 유량변화에 따른 1차 모멘트(평균 체류시간)에 관하여 약 20% 미만의 오차범위에서 일치함을 확인할 수 있다. 이 결과로부터 분자수준에서 시작하는 다중규모 모사는 필요한 실험횟수를 줄이면서 흡착공정 개발을 가속화할 수 있는 가능성을 보여준다.

• 대한기계학회논문집A
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• 제26권5호
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• pp.939-951
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• 2002

We propose a new multiscale Galerkin method based on interpolation wavelets for two-dimensional Poisson's and plane elasticity problems. The major contributions of the present work are: 1) full multiresolution numerical analysis is carried out, 2) general boundaries are handled by a fictitious domain method without using a penalty term or the Lagrange multiplier, 3) no special integration rule is necessary unlike in the (bi-)orthogonal wavelet-based methods, and 4) an efficient adaptive scheme is easy to incorporate. Several benchmark-type problems are considered to show the effectiveness and the potentials of the present approach. is 1-2m/s and impact deformation of the electrode depends on the strain rate at that velocity, the dynamic behavior of the sinter-forged Cu-Cr is a key to investigate the impact characteristics of the electrodes. The dynamic response of the material at the high strain rate is obtained from the split Hopkinson pressure bar test using disc-type specimens. Experimental results from both quasi-static and dynamic compressive tests are Interpolated to construct the Johnson-Cook model as the constitutive relation that should be applied to simulation of the dynamic behavior of the electrodes. The impact characteristics of a vacuum interrupter are investigated with computer simulations by changing the value of five parameters such as the initial velocity of a movable electrode, the added mass of a movable electrode, the wipe spring constant, initial offset of a wipe spring and the virtual fixed spring constant.

• Interaction and multiscale mechanics
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• 제5권3호
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• pp.229-265
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• 2012

Hygroexpansion of wood is a known and undesired characteristic in civil engineering. When wood is exposed to changing environmental humidity, it adsorbs or desorbs moisture and warps. The resulting distortions or - at restrained conditions - cracks are a major concern in timber engineering. We herein present a multiscale model for prediction of the macroscopic hygroexpansion behavior of individual pieces of softwood from their microstructure, demonstrated for spruce. By applying poromicromechanics, we establish a link between the swelling pressure, driving the hygroexpansion of wood at the nanoscale, and the resulting macroscopic dimensional changes. The model comprises six homogenization steps, which are performed by means of continuum micromechanics, the unit cell method and laminate theory, all formulated in a poromechanical framework. Model predictions for elastic properties of wood as functions of the moisture content closely approach corresponding experimental data. As for the hygroexpansion behavior, the swelling pressure has to be back-calculated from macroscopic hygroexpansion data. The good reproduction of the anisotropy of wood hygroexpansion, based on only a single scalar calibration parameter, underlines the suitability of the model. The multiscale model constitutes a valuable tool for studying the effect of microstructural features on the macroscopic behavior and for assessing the hygroexpansion behavior at smaller length scales, which are inaccessible to experiments. The model predictions deliver input parameters for the analysis of timber at the structural scale, therewith enabling to optimize the use of timber and to prevent moisture-induced damage or failure.

• Interaction and multiscale mechanics
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• 제1권2호
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• pp.191-209
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• 2008

In this paper, we model grain boundary evolution based on a multiple level set method. Grain boundary migration under a curvature-induced driving force is considered and the level set method is employed to deal with the resulting topological changes of grain structures. The complexity of using a level set method for modeling grain structure evolution is due to its N-phase nature and the associated geometry compatibility constraint. We employ a multiple level set method with a predictor-multicorrectors approach to reduce the gaps in the triple junctions down to the grid resolution level. A ghost cell approach for imposing periodic boundary conditions is introduced without solving a constrained problem with a Lagrange multiplier method or a penalty method. Numerical results for both uniform and random grain structures evolution are presented and the results are compared with the solutions based on a front tracking approach (Chen and Kotta et al. 2004b).

• Interaction and multiscale mechanics
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• 제3권4호
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• pp.299-308
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• 2010

The indirect approach for measuring the bridge frequencies from the dynamic responses of a passing vehicle is a highly potential method. In this study, the effect of road surface roughness on such an approach is studied through finite element simulations. A two-dimensional mathematical model with the vehicle simulated as a moving sprung mass and the bridge as a simply-supported beam is adopted. The dynamic responses of the passing vehicle are solved by the finite element method along with the Newmark ${\beta}$ method. Through the numerical examples studied, it is shown that the presence of surface roughness may have negative consequence on the extraction of bridge frequencies from the test vehicle. However, such a shortcoming can be overcome either by introducing multiple moving vehicles on the bridge, besides the test vehicle, or by raising the moving speed of the accompanying vehicles.

• 한국소음진동공학회논문집
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• 제23권11호
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• pp.973-981
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• 2013

The main role of an acoustic diffuser is to diffuse reflected sound field spatially. Since the pioneering work of Schroeder, there have been investigations to improve its performance by using shape/sizing optimization methods. In this paper, a gradient-based topology optimization algorithm is newly presented to find the optimal distribution of reflecting materials for maximizing diffuser performance. Time-harmonic acoustic analysis in a two-dimensional acoustic domain is carried out where the domain is discretized by finite elements. Perfectly matched layers are placed to surround the domain to simulate non-reflecting boundary conditions. Design variables are assigned to each element of which material properties are interpolated between those of air and those of a rigid body. An approach to extract the reflected field from the total acoustic field is employed. To validate the effectiveness of the proposed method, design problems are solved at different frequencies. The performance of the optimized diffusers obtained by the proposed method is compared against that of the conventional Schroeder diffusers.

• 한국신재생에너지학회:학술대회논문집
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• 한국신재생에너지학회 2010년도 추계학술대회 초록집
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• pp.113.2-113.2
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• 2010

We report that the novel covalent organic frameworks (COFs) are capable of reversibly providing an extremely high uptake capacity of carbon dioxide and hydrogen at room temperature. These COFs are designed based on the multiscale simulations approach via the combination of ab initio calculations and force-field calculations. For this goal, we explore the adsorption sites of carbon dioxide and hydrogen on COFs, their porosity, as well as carbon dioxide adsorption isotherms. We identify the binding sites and energies of $CO_2$ on COFs using ab initio calculations and obtain the carbon dioxide adsorption isotherms using grand canonical ensemble Monte Carlo calculations. Moreover, the calculated adsorption isotherms are compared with the experimental values in order to build the reference model in describing the interactions between the $CO_2/H_2$ and the COFs and in predicting the $CO_2$ and $H_2$ adsorption isotherms of COFs. Finally, we design three new COFs, 2D COF-05, 3D COF-05 (ctn), and 3D COF-05 (bor), for the high capacity $CO_2/H_2$ and $H_2$ storage.

• Composites Research
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• 제18권4호
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• pp.44-51
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• 2005

본 논문에서는 3차원 직교 직물 복합재료의 구성성분인 얀(Yarn)의 기하학적인 형상을 고려하여 직접수치모사(DNS) 모델을 개발하고 이를 이용하여 직교 직물 복합재료 평판의 저속충격 현상을 모사하였다. 미시구조를 보다 상세하고 정확하게 고려하기 위하여 토우 간격과 굴곡 등을 고려한 단위 구조를 제시하고 이를 이용하여 DNS 기반의 평판모델을 구현하였다. 정적 가상 실험을 통하여 얻은 DNS 모델의 거시적 등가 물성치를 바탕으로 한 거시기계학적 해석과의 비교하였고, DNS 모델을 이용하여 기존의 거시기계학적 모델에서 구현이 어려운 기하학적인 형상 차이에 따른 저속충격 현상의 영향을 고찰하였다. 그리고 보다 실제 실험에 가까운 가상 시편의 크기를 고려하고 해석의 효율성을 높이기 위하여 DNS개념에 기반한 멀티스케일 모델을 개발하여 거시/미시 해석 결과 특성을 함께 고찰하였다.

• Journal of Ginseng Research
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• 제48권4호
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• pp.373-383
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• 2024

Background: Network pharmacology has emerged as a powerful tool to understand the therapeutic effects and mechanisms of natural products. However, there is a lack of comprehensive evaluations of network-based approaches for natural products on identifying therapeutic effects and key mechanisms. Purpose: We systematically explore the capabilities of network-based approaches on natural products, using Panax ginseng as a case study. P. ginseng is a widely used herb with a variety of therapeutic benefits, but its active ingredients and mechanisms of action on chronic diseases are not yet fully understood. Methods: Our study compiled and constructed a network focusing on P. ginseng by collecting and integrating data on ingredients, protein targets, and known indications. We then evaluated the performance of different network-based methods for summarizing known and unknown disease associations. The predicted results were validated in the hepatic stellate cell model. Results: We find that our multiscale interaction-based approach achieved an AUROC of 0.697 and an AUPR of 0.026, which outperforms other network-based approaches. As a case study, we further tested the ability of multiscale interactome-based approaches to identify active ingredients and their plausible mechanisms for breast cancer and liver cirrhosis. We also validated the beneficial effects of unreported and top-predicted ingredients, in cases of liver cirrhosis and gastrointestinal neoplasms. Conclusion: our study provides a promising framework to systematically explore the therapeutic effects and key mechanisms of natural products, and highlights the potential of network-based approaches in natural product research.

• Interaction and multiscale mechanics
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• 제1권4호
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• pp.449-465
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• 2008

In this paper a general approach for studying the motion of a cantilever beam interacting with a 2D fluid flow is presented. The fluid is solved by a general purpose commercial computational fluid dynamics (CFD) package (FLUENT 6.2), while the structure is managed by means of a dedicated finite element method solver, coded in FLUENT as a user-defined function (UDF). A weak fluid structure interaction coupling scheme is adopted exchanging information at the end of each time step. An arbitrary cantilever beam can be introduced in the CFD mesh with its wetted boundaries specified; the cantilever can also interact with specified rigid and flexible walls through use of a non-linear contact algorithm. After a brief review of relevant scientific contributions, some test cases and application examples are presented.