• Title/Summary/Keyword: 1D Simulations

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On-the-fly ionizing photon non-conservation correction for the Excursion-set reionization models

  • Park, Jaehong;Greig, Bradley;Mesinger, Andrei
    • The Bulletin of The Korean Astronomical Society
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    • v.46 no.1
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    • pp.30.3-30.3
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    • 2021
  • In order to generate the 3D structure of the 21-cm signal during the reionization, semi-numerical simulations based on Excursion set formalism are broadly used. However, semi-numerical simulations in the realization of the 3D structure are known to be the ionizing photon non-conserving by the structure of the Excursion set approach. Recently, explicit photon conserving algorithms for semi-numerical simulations introduced, but they are still too slow when forward modelling the 21-cm signal with high-dimensional parameter spaces. Here, we introduce a new method for approximately correcting photon non-conservation, which can be applied on-the-fly. This method is tailored towards the efficient simulation and Bayesian inference with high-dimensional parameter space. Then, we investigate how large an impact that photon non-conservation has on astrophysical parameter inference by performing an MCMC analysis. We find that the ionizing escape parameter is deviated from the fiducial value by 2 sigma when we infer astrophysical parameters without this correction.

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Numerical Investigation on Flow Pattern over Backward-Facing Step for Various Step Angles and Reynolds numbers

  • Lee, Jeong Hu;Nguyen, Van Thinh
    • Proceedings of the Korea Water Resources Association Conference
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    • 2021.06a
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    • pp.60-60
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    • 2021
  • Investigating Backward-Facing Step(BFS) flow is important in that it is a representative case for separation flows in various engineering flow systems. There have been a wide range of experimental, theoretical, and numerical studies to investigate the flow characteristics over BFS, such as flow separation, reattachment length and recirculation zone. However, most of such previous studies were concentrated only on the perpendicular step angle. In this study, several numerical investigations on the flow pattern over BFS with various step angles (10° ~ 90°) and expansion ratios (1.48, 2 and 3.27) under different Reynolds numbers (5000 ~ 64000) were carried out, mainly focused on the reattachment length. The numerical simulations were performed using an open source 3D CFD software, OpenFOAM, in which the velocity profiles and turbulence intensities are calculated by RANS (Reynolds Averaged Navier-Stokes equation) and 3D LES (Large Eddy Simulation) turbulence models. Overall, it shows a good agreement between simulations and the experimental data by Ruck and Makiola (1993). In comparison with the results obtained from RANS and 3D LES, it was shown that 3D LES model can capture much better and more details on the velocity profiles, turbulence intensities, and reattachment length behind the step for relatively low Reynolds number(Re < 11000) cases. However, the simulation results by both of RANS and 3D LES showed very good agreement with the experimental data for the high Reynolds number cases(Re > 11000). For Re > 11000, the reattachment length is no longer dependent on the Reynolds number, and it tends to be nearly constant for the step angles larger than 30°.) Based on the calibrated and validated numerical simulations, several additional numerical simulations were also conducted with higher Reynolds number and another expansion ratio which were not considered in the experiments by Ruck and Makiola (1993).

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Molecular Dynamics Simulations of Graphite-Vinylester Nanocomposites and Their Constituents

  • Alkhateb, H.;Al-Ostaz, A.;Cheng, A.H.D.
    • Carbon letters
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    • v.11 no.4
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    • pp.316-324
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    • 2010
  • The effects of geometrical parameters on mechanical properties of graphite-vinylester nanocomposites and their constituents (matrix, reinforcement and interface) are studied using molecular dynamics (MD) simulations. Young's modulii of 1.3 TPa and 1.16 TPa are obtained for graphene layer and for graphite layers respectively. Interfacial shear strength resulting from the molecular dynamic (MD) simulations for graphene-vinylester is found to be 256 MPa compared to 126 MPa for graphitevinylester. MD simulations prove that exfoliation improves mechanical properties of graphite nanoplatelet vinylester nanocomposites. Also, the effects of bromination on the mechanical properties of vinylester and interfacial strength of the graphene.brominated vinylester nanocomposites are investigated. MD simulation revealed that, although there is minimal effect of bromination on mechanical properties of pure vinylester, bromination tends to enhance interfacial shear strength between graphite-brominated vinylester/graphene-brominated vinylester in a considerable magnitude.

Three-Dimensional Numerical Simulation of Intrusive Density Currents

  • An, Sangdo
    • Journal of Environmental Science International
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    • v.23 no.7
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    • pp.1223-1232
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    • 2014
  • Density currents have been easily observed in environmental flows, for instance turbidity currents and pollutant plumes in the oceans and rivers. In this study, we explored the propagation dynamics of density currents using the FLOW-3D computational fluid dynamics code. The renormalization group (RNG) $k-{\varepsilon}$ scheme, a turbulence numerical technique, is employed in a Reynold-averaged Navier-Stokes framework (RANS). The numerical simulations focused on two different types of intrusive density flows: (1) propagating into a two-layer ambient fluid; (2) propagating into a linearly stratified fluid. In the study of intrusive density flows into a two-layer ambient fluid, intrusive speeds were compared with laboratory experiments and analytical solutions. The numerical model shows good quantitative agreement for predicting propagation speed of the density currents. We also numerically reproduced the effect of the ratio of current depth to the overall depth of fluid. The numerical model provided excellent agreement with the analytical values. It was also clearly demonstrated that RNG $k-{\varepsilon}$ scheme within RANS framework is able to accurately simulate the dynamics of density currents. Simulations intruding into a continuously stratified fluid with the various buoyancy frequencies are carried out. These simulations demonstrate that three different propagation patterns can be developed according to the value of $h_n/H$ : (1) underflows developed with $h_n/H=0$ ; (2) overflows developed when $h_n/H=1$ ; (3) intrusive interflow occurred with the condition of 0 < $h_n/H$ < 1.

Mutation Effects on FAS1 Domain 4 Related to Protein Aggregation by Molecular Dynamics Simulations and Solvation Free Energy Analysis

  • Cho, Sunhee;Ham, Sihyun
    • Proceeding of EDISON Challenge
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    • 2015.03a
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    • pp.70-75
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    • 2015
  • Fasciclin 1 (FAS1) is an extracellular protein whose aggregation in cornea leads to visual impairment. While a number of FAS1 mutants have been studied that exhibit enhanced/decreased aggregation propensity, no structural information has been provided so far that is associated with distinct aggregation potential. In this study, we have investigated the structural and thermodynamic characteristics of the wild-type FAS1 and its two mutants, R555Q and R555W, by using molecular dynamics simulations and three-dimensional reference interaction site model (3D-RISM) theory. We find that the hydrophobic solvent accessible surface area increases due to hydrophobic core repacking in the C-terminus caused by the mutation. We also find that the solvation free energy of the mutants increases due to the enhanced non-native H-bonding. These structural and thermodynamic changes upon mutation contribute to understand the aggregation of these mutants.

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Analysis of the micro diffuser/nozzle pump performance of steady states using similitude model and simulations (상사 모델과 전산 수치 해석을 이용한 diffuser/nozzle pump 의 정상 상태에 대한 연구)

  • Park, Sung-Hoon;Kauh, S.-Ken
    • Proceedings of the KSME Conference
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    • 2007.05b
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    • pp.2763-2768
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    • 2007
  • Recently, as the semiconductor production technology develops, there has been growing interest in the cooling system using micro fluid pump. Among the various types of micro fluid pump, the valve-less diffuser/nozzle has been extensively studied in recent years. However, the flat-walled diffuser/nozzle flow has not been clearly looked into due to its non-linear characteristics. In this paper, the flow characteristics of the flat-walled diffuser/nozzle have been analyzed using similitude model and simulations. Similitude models are designed so that the flow pattern is same as that of 1/10 scale flow by using high viscous fluid as working fluid. The results are compared to the simulations. It is shown that the flow characteristics of 2D simulation are different from 3D simulations at high Re region, and the measured pump efficiency is highly dependent on the pressure difference as well as the channel geometry. From these results, the desirable conditions for the efficient pump is discussed.

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NUMERICAL SIMULATION OF THE FLOW CHARACTERISTICS INSIDE A U-TYPE TUBE (U-자형 곡관내의 유동특성에 대한 수치해석적 연구)

  • Koh, D.H.;Kang, D.J.;Song, D.J.
    • 한국전산유체공학회:학술대회논문집
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    • 2009.04a
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    • pp.97-103
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    • 2009
  • A numerical study of the flow characteristics inside a U-type circular tube is carried out in this paper. The numerical simulations carried out by using a Navier-Stokes code which is commercially available. Before detailed numerical simulations, validation of present numerical approach is made by comparing numerical solutions with experimental data. Numerical simulations are performed to study the effect of curvature on the flow characteristics inside a U-type tube. Numerical solutions show that a significant effect on the secondary flow structure in the cross section of the tube, especially in the curved section is shown when the curvature ratio, ratio of curvature to tube diameter, is smaller than about 3.5. As the curvature ratio decreases below 3.5, a counter rotating vortex is found below the primary vortex in the cross section of the tube. Another dramatic change of the flow structure is the formation of streamwise separation zone when the curvature ratio is decreased below 1.25.

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NUMERICAL SIMULATION OF THE FLOW CHARACTERISTICS INSIDE A U-TYPE TUBE (U-자형 곡관내의 유동특성에 대한 수치해석적 연구)

  • Koh, D.H.;Kang, D.J.;Song, D.J.
    • Journal of computational fluids engineering
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    • v.14 no.3
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    • pp.105-114
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    • 2009
  • A numerical study of the flow characteristics inside a U-type circular tube is carried out in this paper. The numerical simulations carried out by using a Navier-Stokes code which is commercially available. Before detailed numerical simulations, validation of present numerical approach is made by comparing numerical solutions with experimental data. Numerical simulations are performed to study the effect of curvature on the flow characteristics inside a U-type tube. Numerical solutions show that a significant effect on the secondary flow structure in the cross section of the tube, especially in the curved section is shown when the curvature ratio, ratio of curvature to tube diameter, is smaller than about 3.5. As the curvature ratio decreases below 3.5, a counter rotating vortex is found below the primary vortex in the cross section of the tube. Another dramatic change of the flow structure is the formation of streamwise separation zone when the curvature ratio is decreased below 1.25.

Phase-Field Modelling of Zinc Dendrite Growth in ZnAlMg Coatings

  • Mikel Bengoetxea Aristondo;Kais Ammar;Samuel Forest;Vincent Maurel;Houssem Eddine Chaieb;Jean-Michel Mataigne
    • Corrosion Science and Technology
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    • v.23 no.2
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    • pp.93-103
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    • 2024
  • In the present work, a phase-field model for dendritic solidification is applied to hot-dip ZnAlMg coatings to elucidate the morphology of zinc dendrites and the solute segregation leading to the formation of eutectics. These aspects define the microstructure that conditions the corrosion resistance and the mechanical behaviour of the coating. Along with modelling phase transformation and solute diffusion, the implemented model is partially coupled with the tracking of crystal orientation in solid grains, thus allowing the effects of surface tension anisotropy to be considered in multi-dendrite simulations. For this purpose, the composition of a hot-dip ZnAlMg coating is assimilated to a dilute pseudo-binary system. 1D and 2D simulations of isothermal solidification are performed in a finite element solver by introducing nuclei as initial conditions. The results are qualitatively consistent with existing analytical solutions for growth velocity and concentration profiles, but the spatial domain of the simulations is limited by the required mesh refinement.