• Bulletin of the Korean Chemical Society
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• 제32권6호
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• pp.2027-2031
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• 2011

Molecular dynamics simulation is used to study the binary collisions of nanometer-sized droplets of argon in the presence of a surrounding gas. By systematically varying the droplet size, the impact parameter and the velocity of collision, the outcome of such collisions were examined and they can be classified into coalescence, separation and shattering. If one of the colliding droplets is half or less than the other in diameter, a shattering is not possible to occur. The threshold of impact parameter for a given separation was studied by adjusting the Weber number. Overall nanoscale droplets were more likely to coalesce than the macroscopic sized ones due to their high surface-to-volume ratio.

• Journal of Electrical Engineering and Technology
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• 제8권5호
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• pp.1096-1106
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• 2013

This paper presents the control of a Permanent Magnet Electric Variable Transmission (PM-EVT) for Hybrid Electric Vehicles (HEVs). Consisting of two electric machines, the EVT realizes the power split function in an electromagnetic way rather than in a mechanical way. A specific PM-EVT has been designed for Toyota Prius II. The control scheme of the entire vehicle is deduced using the Energetic Macroscopic Representation methodology. The energy management strategy yields local control references. A specific attention is paid for the field weakening for wide speed range. Simulation results are provided to illustrate the EVT modeling and control.

• 한국주조공학회지
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• 제16권6호
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• pp.550-555
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• 1996

A stochastic model, based on the coupling of the finite volume(FV) method for macroscopic heat flow calculation and a two-dimensional cellular automaton(CA) model for treating microstructural evolution was applied-for the prediction of microstructural evolution in squeeze casting. The interfacial heat transfer coefficient at the casting/die interface was evaluated as a function of time using an inverse problem method in order to provide a quantitative simulation of solidification sequences under high pressure. The effects of casting process variables on the formation of solidification grain structures and on the columnar to equiaxed transition of an Al-4.5wt%Cu alloy in squeeze casting were investigated. The calculated solidification grain structures were in good agreement with those obtained experimentally.

• Journal of Mechanical Science and Technology
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• 제18권5호
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• pp.838-846
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• 2004

Minimum ignition energies of hydrogen/air and methane/air mixtures have been investigated numerically by solving unsteady one-dimensional conservation equations with detailed chemical kinetic mechanisms. Initial kernel size needed for numerical calculation is a sensitive function of initial pressure of a mixture and should be estimated properly to obtain quantitative agreement with experimental results. A simple macroscopic model to determine minimum ignition energy has been proposed, where the initial kernel size is correlated with the quenching distance of a mixture and evaluated from the quenching distance determined from experiment. The simulation predicts minimum ignition energies of two sample mixtures successfully which are in a good agreement with the experimental data for the ranges of pressure and equivalence ratio.

• Nuclear Engineering and Technology
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• 제48권4호
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• pp.1036-1046
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• 2016

We propose a primary water stress corrosion cracking (PWSCC) initiation model of Alloy 600 that considers the stress triaxiality factor to apply to finite element analysis. We investigated the correlation between stress triaxiality effects and PWSCC growth behavior in cold-worked Alloy 600 stream generator tubes, and identified an additional stress triaxiality factor that can be added to Garud's PWSCC initiation model. By applying the proposed PWSCC initiation model considering the stress triaxiality factor, PWSCC growth simulations based on the macroscopic phenomenological damage mechanics approach were carried out on the PWSCC growth tests of various cold-worked Alloy 600 steam generator tubes and compact tension specimens. As a result, PWSCC growth behavior results from the finite element prediction are in good agreement with the experimental results.

• EDISON SW 활용 경진대회 논문집
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• 제2회(2013년)
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• pp.1-12
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• 2013

그래핀에 대한 이론 연구는 주로 계산이 용이한 코스그레인 (Coarse-grained) 모델을 이용한 분자동역학 시뮬레이션을 토대로 이루어져 왔다. 하지만 그래핀 고분자 복합체, 표면이 개질된 그래핀의 구조 등에 대한 원자 수준의 총체적인 정보는 거시적인 (Macroscopic) 코스그레인 모델을 바탕으로 한 분자동역학 시뮬레이션으로는 얻을 수 없다. 따라서 본 연구에서는 전자구조 계산 및 원자 수준 모델의 Born Oppenheimer Molecular Dynamics를 이용하여 작은 그래핀 분자의 구조 (Structure)와 형태동역학 (Conformational Dynamics)에 대한 정보를 얻고, 이를 바탕으로 한 코스그레인 모델을 구축하였다. 더 나아가 이 코스그레인 모델을 이용하여 전기전도성 네트워크와 고분자-그래핀 복합체의 구조 등에 대해 살펴보고자 한다.

• 대한원격탐사학회:학술대회논문집
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• 대한원격탐사학회 2002년도 Proceedings of International Symposium on Remote Sensing
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• pp.507-515
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• 2002

Remote Sensing Monitoring and Loss Estimated System of Flood Disaster based on GIS is an integrated system comprised flood disaster information receiving and collection, flood disaster simulation, and flood disaster estimation. When the system receives and collects remote sensing monitoring and conventional investigation information, the distributional features of flood disaster on space and time is obtained by means of image processing and information fusion. The economic loss of flood disaster can be classified into two pus: direct economic loss and indirect economic loss. The estimation of direct economic loss applies macroscopic economic analysis methods, i.e. applying Product (Industry and Agriculture Gross Product or Gross Domestic Product - GDP) or Unit Synthetic Economic Loss Index, direct economic loss can be estimated. Estimating indirect economic loss applies reduction coefficient methods with direct economic loss. The system can real-timely ascertains flood disaster and estimates flood Loss, so that the science basis fur decision-making of flood control and relieving disaster may be provided.

• 소성∙가공
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• 제24권3호
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• pp.194-198
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• 2015

Microstructure based FE simulations were conducted to investigate the micro-mechanical properties of ferrite-martensite dual-phase steels. The FE model was built based on real microstructure images which were characterized by optical microscopy through the thickness direction. Serial sectioned 2D images were converted into semi-2D representative volume elements (RVEs) model. Each RVE model was subjected to a non-proportional loading condition and the mechanical response was analyzed on both the macroscopic and microscopic levels. Macroscopically, stress-strain curves were described under tension-compression and tension-orthogonal tension conditions and the Bauschinger effect was well captured for both loading paths. In addition, micromechanical properties were investigated in the view of stress-strain partitioning and strain localization during monotonic tension.

• Korean Chemical Engineering Research
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• 제51권1호
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• pp.10-24
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• 2013

본 논문은 과학 및 공학에서 폭넓게 연구되고 있는 다규모 모사(multiscale simulation; MSS)에 대하여 간단하게 그 현황을 살펴본 후, 이러한 MSS를 공정개발에 효과적으로 적용하기 위하여 공정개발을 위한 PD-MSS (MSS for process development)를 제시한다. 4단계로 제시된 PD-MSS는 PLS(공정수준모사), FLS(유체수준모사), mFLS(미세유체수준모사), 그리고 MLS(분자수준모사) 로 구성된다. 각 규모의 특징과 주요 기법들, 그리고 이들 4개 규모 간 연관성을 설명한다. PD-MSS의 예로서 흡수탑, 유동층 반응기, 그리고 흡착공정의 모사가 소개된다. 성공적인 다규모 모사(MSS)를 위하여 다규모적 화학공학 문제들에 대한 이해, 각 규모 및 규모간 자연현상을 표현할 수 있는 모델 개발, 수학적 모델을 전산상에서 구현할 수 있도록 하는 소프트웨어 개발, 그리고 계산을 수행하는 하드웨어에서의 조화로운 발전이 필요하다. 다규모 모사는 모사결과의 정확도(accuracy), 컴퓨터의 계산능력(computation capacity), 그리고 효율성(efficiency)을 제한 조건으로 주어진 문제에 접근해야 할 것이다. 거시적 규모와 미시적 규모는 상대적으로 잘 정리되어 있지만, 이들 사이인 중간규모(mesoscale) 에서의 모델은 병목현상을 보이고 있다. 따라서 물리적 현상을 신뢰성 있고, 정확하게 예측하기 위하여 중간규모에 대한 많은 연구가 요구된다. 시작단계에 불과한 PD-MSS는 공정개발에 있어서 시간과 비용을 절감할 수 있는 지속 가능한 기술로서 자리잡게 될 것이다.

• Composites Research
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• 제30권6호
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• pp.371-378
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• 2017

본 연구에서는 대표적인 열경화성 재료인 에폭시 기지의 흡습탄성 거동을 예측하기 위해 분자동역학 전산모사를수행하였다. 고분자 복합재가 오랜 시간 동안 흡습환경에 지속적으로 노출될 경우, 거시적 물성의 저하가 발생하기 때문에 복합재의 내구설계 측면에 있어 흡습노화 현상에 대해 분자스케일적으로 접근하는 방법은 매우 중요하다. 본 연구에서는 $EPON862^{(R)}$ 수지와 아민계 Triethylenetetramine (TETA) 경화제로 비정질 에폭시 분자모델을 구성하였으며, 각각 30과 90%의 가교 상태에서 수분 흡수 유무에 따른 물성변화를 관찰하였다. 건조상태의 에폭시와 수분이 4 wt% 포함된 에폭시 단위셀에 대한 평형 및 비평형 앙상블 전산모사 과정을 통해, 에폭시의 수분팽창계수, 응력-변형률 선도 및 탄성계수 그리고 침투된 수분의 수지 내 확산계수를 예측하였다. 또한 흡습된 구조와 그에 따른 물성변화의 상관관계를 규명하기 위해, 자유체적 변화 및 흡습에 따른 에폭시 수지의 비결합 포텐셜 에너지 변화를 관찰하였다.