• Computers and Concrete
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• 제27권2호
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• pp.111-130
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• 2021

In the present work, an extensive study for predicting efficiency parameters (��i) of various simulated nanocomposites including Polymethyl methacrylate (PMMA) as matrix and different structures including various sizes of graphene platelets (GPLs), single, double, and multi-walled carbon nanotubes (SWCNTs-DWCNTs-MWCNTs), and single and double-walled boron nitride nanotubes (SWBNNTs-DWBNNTs) are investigated. It should be stated that GPLs, carbon and boron nitride nanotubes (CNTs, BNNT) with different chiralities (5, 0), (5, 5), (10, 0), and (10, 10) as reinforcements are considered. In this research, molecular dynamics (MDs) method with Materials studio software is applied to examine the mechanical properties (Young's modulus) of simulated nanocomposite boxes and calculate η1 of each nanocomposite boxes. Then, it is noteworthy that by changing length (6.252, 10.584, and 21.173 nm) and width (7.137, 10.515, and 19.936) of GPLs, ��1, ��2, and ��3 approximately becomes (0.101, 0.114, and 0.124), (1.15, 1.22, and 1.26), (1.04, 1.05, and 1.07) respectively. After that efficiency parameters of SWCNTs, DWCNTs, and MWCNTs are calculated and discussed separately. Finally efficiency parameters of SWBNNTs and DWBNNTs with different chiralities by PMMA as matrix are determined by MD and discussed separately. It is known that the accurate efficiency parameters helps a lot to calculate the properties of nanocomposite analytically. In particular, the obtained results from this research can be used for analytical work based on the extended rule of mixture (ERM) in bending, buckling and vibration analysis of structure in future study.

• Coupled systems mechanics
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• 제11권1호
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• pp.55-78
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• 2022

The main aim of this paper is the identification of the model parameters for the constitutive model of concrete and concrete-like materials capable of representing full set of 3D failure mechanisms under various stress states. Identification procedure is performed taking into account multi-scale character of concrete as a structural material. In that sense, macro-scale model is used as a model on which the identification procedure is based, while multi-scale model which assume strong coupling between coarse and fine scale is used for numerical simulation of experimental results. Since concrete possess a few clearly distinguished phases in process of deformation until failure, macro-scale model contains practically all important ingredients to include both bulk dissipation and surface dissipation. On the other side, multi-scale model consisted of an assembly micro-scale elements perfectly fitted into macro-scale elements domain describes localized failure through the implementation of embedded strong discontinuity. This corresponds to surface dissipation in macro-scale model which is described by practically the same approach. Identification procedure is divided into three completely separate stages to utilize the fact that all material parameters of macro-scale model have clear physical interpretation. In this way, computational cost is significantly reduced as solving three simpler identification steps in a batch form is much more efficient than the dealing with the full-scale problem. Since complexity of identification procedure primarily depends on the choice of either experimental or numerical setup, several numerical examples capable of representing both homogeneous and heterogeneous stress state are performed to illustrate performance of the proposed methodology.

• Advances in materials Research
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• 제12권3호
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• pp.243-261
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• 2023

This study aims to analyze the mechanical buckling behavior of a single-walled carbon nanotube (SWCNT) integrated with a one-parameter elastic medium and modeled as a Kerr-type foundation under a longitudinal magnetic field. The structure is considered homogeneous and therefore modeled utilizing the nonlocal first shear deformation theory (NL-FSDT). This model targets thin and thick structures and considers the effect of the transverse shear deformation and small-scale effect. The Kerr model describes the elastic matrix, which takes into account the transverse shear strain and normal pressure. Using the nonlocal elastic theory and taking into account the Lorentz magnetic force acquired from Maxwell relations, the stability equation for buckling analysis of a simply supported SWCNT under a longitudinal magnetic field is obtained. Moreover, the mechanical buckling load behavior with respect to the impacts of the magnetic field and the elastic medium parameters considering the nonlocal parameter, the rotary inertia, and transverse shear deformation was examined and discussed. This study showed useful results that can be used for the design of nano-transistors that use the buckling properties of single-wall carbon nanotubes(CNTs) due to the creation of the magnetic field effect.

• 한국대기환경학회지
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• 제33권1호
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• pp.31-44
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• 2017

The aim of this study is to evaluate the accuracy and variability of the oak pollen concentrations over the Seoul metropolitan region (SMR) simulated by the Community Multiscale Air Quality (CMAQ)-based pollen dispersion model, which is the CMAQ-pollen model integrated with the improved oak pollen emission model(PEM-oak). The PEM-oak model developed is based on hourly emission flux parameterization that includes the effects of plant-specific release, meteorological adjustment, and diurnal variations of oak pollen concentrations. A 33 day-run for oak pollen simulation was conducted by the CMAQ-pollen model with a 3 km spatial resolution for the SMR during the 2014 spring pollen season. Modeled concentrations were evaluated against the hourly measurements at three Burkard sampling sites. Temporal variations of oak concentrations were largely well represented by the model, but the quantitative difference between simulations and measurements was found to be significant in some periods. The model results also showed that large variations in oak pollen concentrations existed in time and space and high concentrations in the SMR were closely associated with the regional transport under strong wind condition. This study showed the effective application of the CMAQ-pollen modeling system to simulate oak pollen concentration in the SMR. Our results could be helpful in providing information on allergenic pollen exposure. Further efforts are needed to further understand the oak pollen release characteristics such as interannual variation of the oak pollen productivity and its spatio-temporal flowering timing.

• 한국전산구조공학회논문집
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• 제27권3호
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• pp.137-145
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• 2014

본 논문에서는 브리징 스케일 분해를 기반으로 멀티스케일 문제에 대한 설계민감도 해석법을 개발하였다. 나노 기술의 급속한 발전으로 인해 나노 수준의 해석의 필요성이 지속적으로 증가하고 있다. 최근 분자동역학과 연속체역학의 연성문제에서 많은 해석 방법들이 개발되었다. 본 논문에서는 연성시스템 해석을 위해 브리징 스케일 기법을 사용한다. 전체 영역의 분자동역학 시스템의 해석은 많은 양의 계산 비용이 들기때문에 분자동역학과 연속체 시뮬레이션의 연성시스템을 선호한다. 분자동역학과 연속체 수준 사이의 정보 교환은 분자동역학과 연속체의 경계에서 일어난다. 브리징 스케일 법에서 일반화된 랑지벵 방정식은 축소된 영역의 분자동역학 시스템 해석을 위하여 요구되고, 시간이력 커널을 사용하여 구한 GLE 힘은 분자동역학 시스템에서 경계에 있는 원자들에 작용한다. 그러므로 분자동역학과 연속체 수준의 시뮬레이션을 분리해서 해석할 수 있으며 계산 과정을 가속시킬 수 있다. 연성문제의 시뮬레이션 이후에는 설계의 최적화를 위해 설계민감도 해석의 필요성이 자연스럽게 나타나며 전체 시스템의 성능은 나노 스케일의 효과를 고려해서 최적화된다. 설계구배 기반 최적화에서 설계민감도가 요구되지만 유한차분법으로 구한 민감도는 문제가 대형화될 때 계산비용의 제한때문에 비실용적이나 해석적 설계민감도는 효율적인 강점을 갖는다. 본 연구에서는 연성된 분자동역학-연속체 멀티스케일 문제에서 해석적 설계민감도를 유도하여 정확성과 향후 최적설계로의 활용 가능성을 확인하였다.

• 한국대기환경학회지
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• 제33권5호
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• pp.480-496
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• 2017

CMAQ (Community Multiscale Air Quality)-HDDM (High-order Direct Decoupled Method) simulations with MICS-Asia 2010 and INTEX-B 2006 emissions inventories were performed to investigate the impact of Chinese $NO_x$ and VOC emissions on 1-hr ozone concentrations over South Korea during May to July in 2014. Chinese $NO_x$ and VOC emissions in MICS-Asia 2010 were 60% higher and 100% lower than those in INTEX-B 2006 during the simulation period. It makes the ratio of Chinese VOC to $NO_x$ emissions in INTEX-B 2006 (Case 1) is 3.2 times higher than that in MICS-Asia 2010 (Case 2). When the observed period mean 1-hr ozone concentration averaged across 106 air monitoring sites in the SMA (Seoul Metropolitan Area) was 37.6 ppb, the modeled values were similar to each other; 37.3 ppb for Case 1, and 40.4 ppb for Case 2. Both cases show that daily maximum 1-hr ZOC (Zero-Out Contribution) of Chinese $NO_x$ and VOC emissions were as high as 55 ppb and 35 ppb for the episode respectively. Correlation coefficients between ZOC of Chinese $NO_x$ and VOC emissions and the SMA daily maximum 1-hr ozone were 0.49~0.69. It indicates that Chinese emissions occasionally affect the SMA daily ozone peaks. On the other hand, Case 2 predicted 7 ppb and 1 ppb higher ZOC of Chinese $NO_x$ and VOC emissions than Case 1, when simulated ozone in the SMA is over 80 ppb. It implies that upwind $NO_x$ emissions would be more important than upwind VOC emissions for the long-range transport of ozone in Northeast Asia.

• 한국전산구조공학회논문집
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• 제26권6호
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• pp.423-430
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• 2013

본 연구에서는 탄소나노튜브와 폴리프로필렌 기지 간 계면결합력과 나노튜브의 국부적 응집에 따른 나노복합재의 탄소성 거동 변화에 대한 파라메트릭 연구를 수행한다. 나노복합재의 탄소성 거동 예측을 위해 분자동역학 전산모사를 수행하고, 분자동역학 결과와 Mori-Tanaka 모델을 적용한 비선형 미시역학 모델을 연계하여 나노복합재 내 흡착계면의 탄소성 거동을 역으로 도출하는 2단계 영역분할 기법을 적용하였다. 미시역학 모델에서는 시컨트 계수방법을 Mori-Tanaka 모델에 적용하여 나노복합재의 비선형 거동을 예측하는 방법을 적용하였으며, 나노튜브와 기지 간 재료계면의 불완전 결합을 고려하기 위해 변위 불연속 조건을 적용하였다. 흡착영역을 고려한 미시역학 모델을 통해 흡착계면의 유무 및 재료계면 결합력 변화 그리고 나노튜브의 국부적 응집현상에 따른 나노복합재의 응력-변형률 관계를 예측하였다. 그 결과 나노튜브의 국부적 응집이 나노복합재의 강화효과를 저하시키는 가장 중요한 변수임을 확인하였다.

• 한국지구과학회지
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• 제34권3호
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• pp.209-223
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• 2013

이 연구의 목적은 한반도에서 $CH_4$ 농도의 수치모의 검증을 통하여 $CH_4$ 배출원의 기여 농도를 추정하는 것이고, 이 수치모의에 사용된 $CH_4$ 배출량을 상자모델로부터 추정된 $CH_4$ 배출량과 비교하는 것이다. 한반도에서 2010년 4월 1일부터 8월 22일까지 $CH_4$의 평균 농도를 추정하기 위해 WRF-CMAQ 모델이 사용되었다. 모델에서 $CH_4$ 배출량은 전지구 배출량인 EDGAR와 한국에서의 온실기체 배출량인 GHG-CAPSS로부터 인위적 배출 인벤토리와 전지구 자연적 인벤토리인 MEGAN이 적용되었다. 이들 $CH_4$ 배출량은 안면도 및 울릉도에서 측정된 $CH_4$ 농도와 모델링 농도 자료를 비교함으로써 검증되었다. 울릉도에서 국내 배출원으로부터 추정된 $CH_4$의 기여 농도는 약 20%로 나타났고, 이것은 한반도 내 농장(8%), 에너지 기여 및 산업공정(6%), 일반폐기물(5%), 생체 및 토지이용(1%) 등 $CH_4$ 배출원으로부터 기원하였다. 그리고 중국으로부터 수송된 $CH_4$의 기여 농도는 약 9%였고, 나머지 배경농도는 약 70%로 나타났다. 박스모델로 추정된 $CH_4$ 배출량은 WRF-CMAQ 모델에서 사용한 $CH_4$ 배출량과 유의미한 결과를 얻었다.