• 멤브레인
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• 제27권2호
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• pp.121-128
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• 2017

Mesoscale simulation은 원자의 그룹을 묶어서 하나의 단위로서 계산을 수행하는 전산모사 기술로 $ns{\sim}{\mu}s$의 시간 및 $nm{\sim}{\mu}m$의 크기까지 모사가 가능하다. 이러한, mesoscale simulation에는 (1) 입자 자체의 움직임을 계산하여 시스템을 모사하는 particle-based mesoscale, (2) 입자의 움직임이 아닌 chemical potential filed나 density field 등의 변화를 계산하여 시스템을 모사하는 field theory 등의 방법 등이 있는데, 두 방법 모두 고분자의 거시적 특성을 살펴보기 위한 강력한 전산모사 기술로서, 에너지-환경 분야용 고분자 분리막의 다양한 응용분야에서 활용되고 있다. 기존에는 주로 블록 공중합체 분야에서 연구결과들이 보고되었으나, 최근 들어 실제 고분자 분리막의 제조 조건 등을 모사한 연구 결과와 같이 좀 더 응용 분야에 가까운 다양한 에너지-환경용 고분자 분리막 관련 연구가 진행되고 있다. 이온 교환막의 경우에는 이온 전달 채널 형성을 분석 및 예측하기 위한 다양한 mesoscale simulation 결과들이 발표되고 있고, 최근에는 CNT, graphene 등의 나노 첨가물 소재에 대한 연구도 활발히 진행되고 있다. 본 총설에서는 mesoscale simulation 관련 연구에 대한 동향을 정리하고, 어떤 분야에서 유용하게 활용 가능한지 제시하며, 에너지-환경 분야에 종사하는 분리막 연구자들이 mesoscale simulation 기술에 좀 더 쉽게 다가갈 수 있는 기회를 제공하고자 한다.

• 대기
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• 제16권4호
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• pp.359-370
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• 2006

Terrain height variance spectra for the Korean mountain region are calculated in order to determine an adequate grid size required to resolve terrain forcing on mesoscale model simulation. One-dimensional spectral analysis is applied to specifically the central-eastern part of the Korean mountain region, where topographical-scale forcing has an important effect on mesoscale atmospheric flow. It is found that the terrain height variance spectra in this mountain region has a wavelength dependence with the power law exponents of 1.5 at the wavelength near 30 km, but this dependence is steeply changed to 2.5 at the wavelength less than 30 km. For the adequate horizontal grid size selection on mesoscale simulation two-dimensional terrain height spectral analysis is also performed. There is no directionality within 50% of spectral energy region, so one-dimensional spectral analysis can be reasonably applied to the Korea Peninsula. According to the spectral analysis of terrain height variance, the finer grid size which is higher than 6 km is required to resolve a 90% of terrain variance in this region. Numerical simulation using WRF (Weather Research and Forecasting Model) was performed to evaluate the effect of different terrain resolution in accordance with the result of spectral analysis. The simulated results were quantitatively compared to observations and there was a significant improvement in the wind prediction across the mountain region as the grid space decreased from 18 km to 2 km. The results will provide useful guidance of grid size selection on mesoscale topographical simulation over the Korean mountain region.

• Nuclear Engineering and Technology
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• 제51권6호
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• pp.1575-1588
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• 2019

Fracture near the U-10Mo/cladding material interface impacts fuel service life. In this work, a mesoscale stress model is developed with the fuel foil considered as a porous medium having gas bubbles and bearing bubble pressure and surface tension. The models for the evolution of bubble volume fraction, size and internal pressure are also obtained. For a U-10Mo/Al monolithic fuel plate under location-dependent irradiation, the finite element simulation of the thermo-mechanical coupling behavior is implemented to obtain the bubble distribution and evolution behavior together with their effects on the mesoscale stresses. The numerical simulation results indicate that higher macroscale tensile stresses appear close to the locations with the maximum increments of fuel foil thickness, which is intensively related to irradiation creep deformations. The maximum mesoscale tensile stress is more than 2 times of the macroscale one on the irradiation time of 98 days, which results from the contributions of considerable volume fraction and internal pressure of bubbles. This study lays a foundation for the fracture mechanism analysis and development of a fracture criterion for U-10Mo monolithic fuels.

• Computers and Concrete
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• 제15권2호
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• pp.305-319
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• 2015

On mesoscopic level, concrete can be treated as a three-phase composite material consisting of mortar, aggregates and interfacial transition zone (ITZ) between mortar and aggregate. A lot of research has confirmed that ITZ plays a crucial role in the mechanical fracture process of concrete. The aim of the present study is to propose a numerical method on mesoscale to analyze the failure mechanism of reinforced concrete (RC) structures under mechanical loading, and then it will help precisely predict the damage or the cracking initiation and propagation of concrete. Concrete is meshed by means of the Rigid Body Spring Model (RBSM) concept, while the reinforcing steel bars are modeled as beam-type elements. Two kinds of RC members, i.e. subjected to uniaxial tension and beams under bending, the fracture process of concrete and the distribution of cracks, as well as the load-deflection relationships are investigated and compared with the available test results. It is found that the numerical results are in good agreement with the experimental observations, indicating that the model can successfully simulate the failure process of the RC members.

• 멤브레인
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• 제30권4호
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• pp.242-251
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• 2020

고분자 소재 및 이를 이용하여 제조된 분리막에 주로 활용되는 전산모사 도구들은 모사대상의 크기 및 모사하고자 하는 시간에 따라 여러 가지 분야로 나뉘어진다. 본 총설에 소개되는 전산모사는 그 중에서 전산재료화학에 주로 사용되는 양자역학(quantum mechanics; QM), 분자동역학(molecular dynamics; MD), 메조스케일 전산모사(mesoscale modelling), 이렇게 3가지로 분류된다. 고분자 연구에서 사용되는 전산모사는 각각의 전산모사의 종류마다 연구내용이 달라지는데, 양자역학은 분자, 원자, 전자 등 미시적인 계의 현상을 다루어 작은 크기의 현상을 연구하고, 분자동역학은 원자들 사이의 퍼텐셜 또는 힘이 주어졌을 때 뉴턴의 운동방정식에 따른 원지 및 분자의 움직임을 수치적으로 풀어내고, 메조스케일 모델링은 원자들을 묶어서 그룹형태로 만들어 비드를 형성해 비교적 큰 분자량에서 계산시간을 줄여 거시적으로 판단하는 연구가 된다. 본 총설에서는 고분자 및 고분자 분리막에 주로 활용되는 다양한 전산모사 프로그램을 위에서 분류한 3가지 종류로 나누어 각각의 특징과 사용분야 등을 소개하고자 한다.

• 대기
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• 제18권4호
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• pp.339-354
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• 2008

A numerical simulation of a heavy snowfall event that occurred 13 January 2008 along the Yeongdong coastal area, was performed using WRF (Weather Research and Forecasting) in order to reveal mesoscale structures and to construct a conceptual model showing the meteorological background that caused the large difference in snowfall amounts between the Yeongdong mountain area and the Yeongdong coastal area. The simulation results matched well with various observations such as corresponding 12h-accumulated observed precipitation, surface wind obscrvation, radar echoes, and satellite infrared images. The simulation and the observations showed that the scale of the event was of meso - $\beta$ and meso - $\gamma$ scale. The simulation represented well the mesoscale process causing the large difference in snowfall amounts in the two areas. First, wind flow was kept, to a certain extent, from crossing the mountains due to the blocking effect of the low Froude number (~1). The northeast flow over the adjaccnt sea tumcd northwest as it approachcd the mountains, where it was trapped, allowing so-called cold air damming. Second, a strong convergence area formed where the cold northwest flow along the Yeongdong coastal area and the relatively warm and moist northeast flow advecting toward the coast met, supporting the fonllation of a coastal front. Thus, the vertical motion was strongest over the front located near the coast, leading to the heavy snowfall there rather than in the remote mountain area.

• The Plant Pathology Journal
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• 제21권2호
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• pp.111-118
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• 2005

Weather data for disease forecasts are usually derived from automated weather stations (AWS) that may be dispersed across a region in an irregular pattern. We have developed an alternative method to simulate local scale, high-resolution weather and plant disease in a grid pattern. The system incorporates a simplified mesoscale boundary layer model, LAWSS, for estimating local conditions such as air temperature and relative humidity. It also integrates special models for estimating of surface wetness duration and disease forecasts, such as the grapevine downy mildew forecast model, DMCast. The system can recreate weather forecasts utilizing the NCEP/NCAR reanalysis database, which contains over 57 years of archived and corrected global upper air conditions. The highest horizontal resolution of 0.150 km was achieved by running 5-step nested child grids inside coarse mother grids. Over the Finger Lakes and Chautauqua Lake regions of New York State, the system simulated three growing seasons for estimating the risk of grape downy mildew with 1 km resolution. Outputs were represented as regional maps or as site-specific graphs. The highest resolutions were achieved over North America, but the system is functional for any global location. The system is expected to be a powerful tool for site selection and reanalysis of historical plant disease epidemics.

• Computers and Concrete
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• 제10권2호
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• pp.135-147
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• 2012

At mesoscale, concrete is considered as a three-phase composite material consisting of the aggregate particles, the cement matrix and the interfacial transition zone (ITZ). The reconstruction of the internal structures for concrete composites requires the identification of the boundary of the aggregate particles and the cement matrix using digital imaging technology followed by post-processing through MATLAB. A parameter study covers the subsection transformation, median filter, and open and close operation of the digital image sample to obtain the optimal parameter for performing the image processing technology. The subsection transformation is performed using a grey histogram of the digital image samples with a threshold value of [120, 210] followed by median filtering with a $16{\times}16$ square module based on the dimensions of the aggregate particles and their internal impurity. We then select a "disk" tectonic structure with a specific radius, which performs open and close operations on the images. The edges of the aggregate particles (similar to the original digital images) are obtained using the canny edge detection method. The finite element model at mesoscale can be established using the proposed image processing technology. The location of the crack determined through the numerical method is identical to the experimental result, and the load-displacement curve determined through the numerical method is in close agreement with the experimental results. Comparisons of the numerical and experimental results show that the proposed image processing technology is highly effective in reconstructing the internal structures of concrete composites.

• 대기
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• 제26권2호
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• pp.277-288
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• 2016

Polar lows are intense mesoscale cyclones that mainly occur over the sea in polar regions. Owing to their small spatial scale of a diameter less than 1000 km, simulating polar lows is a challenging task. At King Sejong station in West Antartica, polar lows are often observed. Despite the recent significant climatic changes observed over West Antarctica, adequate validation of regional simulations of extreme weather events such as polar lows are rare for this region. To address this gap, simulation results from a recent version of the Polar Weather Research and Forecasting model (Polar WRF) covering Antartic Peninsula at a high horizontal resolution of 3 km are validated against near-surface meteorological observations. We selected a case of high wind speed event on 7 January 2013 recorded at Automatic Meteorological Observation Station (AMOS) in King Sejong station, Antarctica. It is revealed by in situ observations, numerical weather prediction, and reanalysis fields that the synoptic and mesoscale environment of the strong wind event was due to the passage of a strong mesoscale polar low of center pressure 950 hPa. Verifying model results from 3 km grid resolution simulation against AMOS observation showed that high skill in simulating wind speed and surface pressure with a bias of $-1.1m\;s^{-1}$ and -1.2 hPa, respectively. Our evaluation suggests that the Polar WRF can be used as a useful dynamic downscaling tool for the simulation of Antartic weather systems and the near-surface meteorological instruments installed in King Sejong station can provide invaluable data for polar low studies over West Antartica.

• 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.