• Title/Summary/Keyword: Multiscale Modeling

Search Result 89, Processing Time 0.022 seconds

Movement and evolution of macromolecules in a grooved micro-channel

  • Zhou, L.W.;Liu, M.B.;Chang, J.Z.
    • Interaction and multiscale mechanics
    • /
    • v.6 no.2
    • /
    • pp.157-172
    • /
    • 2013
  • This paper presented an investigation of macromolecular suspension in a grooved channel by using the dissipative particle dynamics (DPD) with finitely extensible non-linear elastic (FENE) bead spring chains model. Before studying the movement and evolution of macromolecules, the DPD method was first validated by modeling the simple fluid flow in the grooved channel. For both simple fluid flow and macromolecular suspension, the flow fields were analyzed in detail. It is found that the structure of the grooved channel with sudden contraction and expansion strongly affects the velocity distribution. As the width of the channel reduces, the horizontal velocity increases simultaneously. Vortices can also be found at the top and bottom corners behind the contraction section. For macromolecular suspension, the macromolecular chains influence velocity and density distribution rather than the temperature and pressure. Macromolecules tend to drag simple fluid particles, reducing the velocity with density and velocity fluctuations. Particle trajectories and evolution of macromolecular conformation were investigated. The structure of the grooved channel with sudden contraction and expansion significantly influence the evolution of macromolecular conformation, while macromolecules display adaptivity to adjust their own conformation and angle to suit the structure so as to pass the channel smoothly.

RELATIONSHIP BETWEEN RADIATION INDUCTED YIELD STRENGTH INCREMENT AND CHARPY TRANSITION TEMPERATURE SHIFT IN REACTOR PRESSURE VESSEL STEELS OF KOREAN NUCLEAR POWER PLANTS

  • Lee, Gyeong-Geun;Lee, Yong-Bok;Kwon, Jun-Hyun
    • Nuclear Engineering and Technology
    • /
    • v.44 no.5
    • /
    • pp.543-550
    • /
    • 2012
  • The decrease in the fracture toughness of ferritic steels in a reactor pressure vessel is an important factor in determining the lifetime of a nuclear power plant. A surveillance program has been in place in Korea since 1979 to assess the structural integrity of RPV steels. In this work, the surveillance data were collected and analyzed statistically in order to derive the empirical relationship between the embrittlement and strengthening of irradiated reactor pressure vessel steels. There was a linear relationship between the yield strength change and the transition temperature shift change at 41 J due to irradiation. The proportional coefficient was about $0.5^{\circ}C$/MPa in the base metals (plate/forgings). The upper shelf energy decrease ratio was non-linearly proportional to the yield strength change, and most of the data lay along the trend curve of the US results. The transition regime temperature interval, ${\Delta}T_T$, was less than the US data. The overall change from irradiation was very similar to the US results. It is expected that the results of this study will be applied to basic research on the multiscale modeling of the irradiation embrittlement of RPV materials in Korea.

Fatigue life prediction for radial truck tires using a global-local finite element method

  • Jeong, Kyoung Moon;Beom, Hyeon Gyu;Kim, Kee-Woon;Cho, Jin-Rae
    • Interaction and multiscale mechanics
    • /
    • v.4 no.1
    • /
    • pp.35-47
    • /
    • 2011
  • A global-local finite element modeling technique is employed in this paper to predict the fatigue life of radial truck tires. This paper assumes that a flaw exists inside the tire, in the local model. The local model uses an FEM fracture analysis in conjunction with a global-local technique in ABAQUS. A 3D finite element local model calculates the energy release rate at the belt edge. Using the analysis of the local model, a study of the energy release rate is performed in the crack region and used to determine the crack growth rate analysis. The result considers how different driving conditions contribute to the detrimental effects of belt separation in truck tire failure. The calculation of the total mileage on four sizes of radial truck tires has performed on the belt edge separation. The effect of the change of belt width design on the fatigue lifetime of tire belt separation is discussed.

Development of a Oak Pollen Emission and Transport Modeling Framework in South Korea (한반도 참나무 꽃가루 확산예측모델 개발)

  • Lim, Yun-Kyu;Kim, Kyu Rang;Cho, Changbum;Kim, Mijin;Choi, Ho-seong;Han, Mae Ja;Oh, Inbo;Kim, Baek-Jo
    • Atmosphere
    • /
    • v.25 no.2
    • /
    • pp.221-233
    • /
    • 2015
  • Pollen is closely related to health issues such as allergenic rhinitis and asthma as well as intensifying atopic syndrome. Information on current and future spatio-temporal distribution of allergenic pollen is needed to address such issues. In this study, the Community Multiscale Air Quality Modeling (CMAQ) was utilized as a base modeling system to forecast pollen dispersal from oak trees. Pollen emission is one of the most important parts in the dispersal modeling system. Areal emission factor was determined from gridded areal fraction of oak trees, which was produced by the analysis of the tree type maps (1:5000) obtained from the Korea Forest Service. Daily total pollen production was estimated by a robust multiple regression model of weather conditions and pollen concentration. Hourly emission factor was determined from wind speed and friction velocity. Hourly pollen emission was then calculated by multiplying areal emission factor, daily total pollen production, and hourly emission factor. Forecast data from the KMA UM LDAPS (Korea Meteorological Administration Unified Model Local Data Assimilation and Prediction System) was utilized as input. For the verification of the model, daily observed pollen concentration from 12 sites in Korea during the pollen season of 2014. Although the model showed a tendency of over-estimation in terms of the seasonal and daily mean concentrations, overall concentration was similar to the observation. Comparison at the hourly output showed distinctive delay of the peak hours by the model at the 'Pocheon' site. It was speculated that the constant release of hourly number of pollen in the modeling framework caused the delay.

Multiscale Finite Element Analysis of Needle-Punched C/SiC Composites through Subcell Modeling (서브셀 모델링을 통한 니들 펀치 C/SiC 복합재료의 멀티스케일 유한요소해석)

  • Lim, Hyoung Jun;Choi, Ho-Il;Lee, Min-Jung;Yun, Gun Jin
    • Journal of the Computational Structural Engineering Institute of Korea
    • /
    • v.34 no.1
    • /
    • pp.51-58
    • /
    • 2021
  • In this paper, a multi-scale finite element (FE) modeling methodology for three-dimensional (3D) needle-punched (NP) C/SiC with a complex microstructure is presented. The variations of the material properties induced by the needle-punching process and complex geometrical features could pose challenges when estimating the material behavior. For considering these features of composites, a 3D microscopic FE approach is introduced based on micro-CT technology to produce a 3D high fidelity FE model. The image processing techniques of micro-CT are utilized to generate discrete-gray images and reconstruct the high fidelity model. Furthermore, a subcell modeling technique is developed for the 3D NP C/SiC based on the high fidelity FE model to expand to the macro-scale structural problem. A numerical homogenization approach under periodic boundary conditions (PBCs) is employed to estimate the equivalent behavior of the high fidelity model and effective properties of subcell components, considering geometry continuity effects. For verification, proposed models compare excellently with experimental results for the mechanical behavior of tensile, shear, and bending under static loading conditions.

PM2.5 Simulations for the Seoul Metropolitan Area: ( I ) Contributions of Precursor Emissions in the 2013 CAPSS Emissions Inventory (수도권 초미세먼지 농도모사: ( I ) 2013 CAPSS 배출량 목록의 전구물질별 기여도 추정)

  • Kim, Soontae;Bae, Changhan;Kim, Byeong-Uk;Kim, Hyun Cheol
    • Journal of Korean Society for Atmospheric Environment
    • /
    • v.33 no.2
    • /
    • pp.139-158
    • /
    • 2017
  • CMAQ (Community Multiscale Air Quality Model) simulations were carried out to estimate the potential range of contributions on surface $PM_{2.5}$ concentrations over the Seoul Metropolitan Area (SMA) with the gaseous precursors and Primary Particulate Matters(PPM) available from a recent national emissions inventory. In detail, on top of a base simulation utilizing the 2013 Clean Air Policy Supporting System (CAPSS) emission inventory, a set of Brute Force Method (BFM) simulations after reducing anthropogenic $NO_x$, $SO_2$, $NH_3$, VOCs, and PPM emissions released from area, mobile, and point sources in SMA by 50% were performed in turn. Modeling results show that zero-out contributions(ZOC) of $NH_3$ and PPM emissions from SMA are as high as $4{\sim}5{\mu}g/m^3$ over the region during the modeling period. On the contrary, ZOC of local $NO_x$ and $SO_2$ emissions to SMA $PM_{2.5}$ are less than $1{\mu}g/m^3$. Moreover, model analyses indicate that a wintertime $NO_x$ reduction at least up to 50% increases SMA $PM_{2.5}$ concentrations, probably due to increased HNO3 formation and conversion to aerosols under more abundant ozone and radical conditions after the $NO_x$ reduction. However, a nation-wide $NO_x$ reduction decreased SMA $PM_{2.5}$ concentrations even during winter, which implies that nation-wide reductions would be more effective to curtail SMA $PM_{2.5}$ concentrations than localized efforts.

Computer modeling to forecast accurate of efficiency parameters of different size of graphene platelet, carbon, and boron nitride nanotubes: A molecular dynamics simulation

  • Farazin, Ashkan;Mohammadimehr, Mehdi
    • Computers and Concrete
    • /
    • v.27 no.2
    • /
    • pp.111-130
    • /
    • 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.

Evaluation of Ensemble Approach for O3 and PM2.5 Simulation

  • Morino, Yu;Chatani, Satoru;Hayami, Hiroshi;Sasaki, Kansuke;Mori, Yasuaki;Morikawa, Tazuko;Ohara, Toshimasa;Hasegawa, Shuichi;Kobayashi, Shinji
    • Asian Journal of Atmospheric Environment
    • /
    • v.4 no.3
    • /
    • pp.150-156
    • /
    • 2010
  • Inter-comparison of chemical transport models (CTMs) was conducted among four modeling research groups. Model performance of the ensemble approach to $O_3$ and $PM_{2.5}$ simulation was evaluated by using observational data with a time resolution of 1 or 6 hours at four sites in the Kanto area, Japan, in summer 2007. All groups applied the Community Multiscale Air Quality model. The ensemble average of the four CTMs reproduced well the temporal variation of $O_3$ (r=0.65-0.85) and the daily maximum $O_3$ concentration within a factor of 1.3. By contrast, it underestimated $PM_{2.5}$ concentrations by a factor of 1.4-2, and did not reproduce the $PM_{2.5}$ temporal variation at two suburban sites (r=~0.2). The ensemble average improved the simulation of ${SO_4}^{2-}$, ${NO_3}^-$, and ${NH_4}^+$, whose production pathways are well known. In particular, the ensemble approach effectively simulated ${NO_3}^-$, despite the large variability among CTMs (up to a factor of 10). However, the ensemble average did not improve the simulation of organic aerosols (OAs), underestimating their concentrations by a factor of 5. The contribution of OAs to $PM_{2.5}$ (36-39%) was large, so improvement of the OA simulation model is essential to improve the $PM_{2.5}$ simulation.

PM2.5 Simulations for the Seoul Metropolitan Area: (V) Estimation of North Korean Emission Contribution (수도권 초미세먼지 농도모사: (V) 북한 배출량 영향 추정)

  • Bae, Minah;Kim, Hyun Cheol;Kim, Byeong-Uk;Kim, Soontae
    • Journal of Korean Society for Atmospheric Environment
    • /
    • v.34 no.2
    • /
    • pp.294-305
    • /
    • 2018
  • Quantitative assessment on the impact from North Korean emissions to surface particulate matter(PM) concentration in the Seoul Metropolitan Area (SMA), South Korea is conducted using a 3-dimensional chemistry transport model. Transboundary transport of air pollutants and their precursors are important to understand regional air quality in East Asian countries. As North Korea locates in the middle of main transport pathways of Chinese pollutants, quantifiable estimation of its impact is essential for policy making in South Korean air quality management. In this study, the Community Multiscale Air Quality Modeling System is utilized to simulate regional air quality and its sensitivity, using the Comprehensive Regional Emissions inventory for Atmospheric Transport Experiment 2015 and the Clean Air Policy Support System 2013 emissions inventories for North and South Korea, respectively. Contributions were estimated by a brute force method, perturbing 50% of North and South Korean emissions. Simulations demonstrate that North Korean emissions contribute $3.89{\mu}g/m^3$ of annual surface PM concentrations in the SMA, which accounts 14.7% of the region's average. Impacts are dominant in nitrate and organic carbon (OC) concentrations, attributing almost 40% of SMA OC concentration during January and February. Clear seasonal variations are also found in North Korean emissions contribution to South Korea (and vice versa) due to seasonal characteristics of synoptic weather, especially by the change of seasonal flow patterns.

Urban Air Quality Model Inter-Comparison Study (UMICS) for Improvement of PM2.5 Simulation in Greater Tokyo Area of Japan

  • Shimadera, Hikari;Hayami, Hiroshi;Chatani, Satoru;Morikawa, Tazuko;Morino, Yu;Mori, Yasuaki;Yamaji, Kazuyo;Nakatsuka, Seiji;Ohara, Toshimasa
    • Asian Journal of Atmospheric Environment
    • /
    • v.12 no.2
    • /
    • pp.139-152
    • /
    • 2018
  • The urban model inter-comparison study (UMICS) was conducted in order to improve the performance of air quality models (AQMs) for simulating fine particulate matter ($PM_{2.5}$) in the Greater Tokyo Area of Japan. UMICS consists of three phases: the first phase focusing on elemental carbon (UMICS1), the second phase focusing on sulfate, nitrate and ammonium (UMICS2), and the third phase focusing on organic aerosol (OA) (UMICS 3). In UMICS2/3, all the participating AQMs were the Community Multiscale Air Quality modeling system (CMAQ) with different configurations, and they similarly overestimated $PM_{2.5}$ nitrate concentration and underestimated $PM_{2.5}$ OA concentration. Various sensitivity analyses on CMAQ configurations, emissions and boundary concentrations, and meteorological fields were conducted in order to seek pathways for improvement of $PM_{2.5}$ simulation. The sensitivity analyses revealed that $PM_{2.5}$ nitrate concentration was highly sensitive to emissions of ammonia ($NH_3$) and dry deposition of nitric acid ($HNO_3$) and $NH_3$, and $PM_{2.5}$ OA concentration was highly sensitive to emissions of condensable organic compounds (COC). It was found that $PM_{2.5}$ simulation was substantially improved by using modified monthly profile of $NH_3$ emissions, larger dry deposition velocities of $HNO_3$ and $NH_3$, and additionally estimated COC emissions. Moreover, variability in $PM_{2.5}$ simulation was estimated from the results of all the sensitivity analyses. The variabilities on CMAQ configurations, chemical inputs (emissions and boundary concentrations), and meteorological fields were 6.1-6.5, 9.7-10.9, and 10.3-12.3%, respectively.