• Membrane Journal
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• v.20 no.1
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• pp.29-39
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• 2010

This study focuses on the modeling of DMFC to predict the characteristics and to improve its performance. This modeling requires deep understanding of the design and operating parameters that influence on the cell potential. Furthermore, the knowledge with reference to electrochemistry, transport phenomena and fluid dynamics should be employed for the duration of mathematical description of the given process. Considering the fact that MEA is the nucleus of DMFC, special attention was made to the development of mathematical model of MEA. Multiscale modeling is comprised of process modeling as well as a computational fluid dynamics (CFD) modeling. The CFD packages and process simulation tools are used in simulating the steady-state process. The process simulation tool calculates theelectrochemical kinetics as well as the change of fractions, and at the same time, CFD calculates various balance equations. The integrated simulation with multiscal modeling explains experimental observations of transparent DMFC.

• Nuclear Engineering and Technology
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• v.36 no.3
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• pp.229-236
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• 2004

Radiation hardening is a multiscale phenomenon involving various processes over a wide range of time and length. We present a multiscale model for estimating the amount of radiation hardening in pressure vessel steel in the environment of a light water reactor. The model comprises two main parts: molecular dynamics (MD) simulation and a point defect cluster (PDC) model. The MD simulation was used to investigate the primary damage caused by displacement cascades. The PDC model mathematically formulates interactions between point defects and their clusters, which explains the evolution of microstructures. We then used a dislocation barrier model to calculate the hardening due to the PDCs. The key input for this multiscale model is a neutron spectrum at the inner surface of reactor pressure vessel steel of the Younggwang Nuclear Power Plant No.5. A combined calculation from the MD simulation and the PDC model provides a convenient tool for estimating the amount of radiation hardening.

• Interaction and multiscale mechanics
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• v.4 no.2
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• pp.139-153
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• 2011

In this paper we develop a fully anisotropic pressure and temperature dependent model to investigate the effect of the microstructure on the shock response of ${\beta}$-HMX molecular single and polycrystals. This micromechanics-based model can account for crystal orientation as well as crystallographic twinning and slip during deformation and has been calibrated using existing gas gun data. We observe that due to the high degree of anisotropy of these polycrystals, certain orientations are more favorable for plastic deformation - and therefore defect and dislocation generation - than others. Loading along these directions results in highly localized deformation and temperature fields. This observation confirms that most of the temperature rise during high rates of loading is due to plastic deformation or dislocation pile up at microscale and not due to volumetric changes.

• Advances in nano research
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• v.7 no.3
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• pp.181-190
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• 2019

The thermal buckling temperature values of the graded carbon nanotube reinforced composite shell structure is explored using higher-order mid-plane kinematics and multiscale constituent modeling under two different thermal fields. The critical values of buckling temperature including the effect of in-plane thermal loading are computed numerically by minimizing the final energy expression through a linear isoparametric finite element technique. The governing equation of the multiscale nanocomposite is derived via the variational principle including the geometrical distortion through Green-Lagrange strain. Additionally, the model includes different grading patterns of nanotube through the panel thickness to improve the structural strength. The reliability and accuracy of the developed finite element model are varified by comparison and convergence studies. Finally, the applicability of present developed model was highlight by enlighten several numerical examples for various type shell geometries and design parameters.

• Interaction and multiscale mechanics
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• v.2 no.4
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• pp.375-396
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• 2009

In the present work, the elasto-viscoplastic behavior, interactions between grains, and the texture evolution in polycrystalline materials subjected to finite deformations are modeled using a multiscale analysis procedure within a finite element framework. Computational homogenization is used to relate the grain (meso) scale to the macroscale. Specifically, a polycrystal is modeled by a material representative volume element (RVE) consisting of an aggregate of grains, and a periodic distribution of such unit cells is considered to describe material behavior locally on the macroscale. The elastic behavior is defined by a hyperelastic potential, and the viscoplastic response is modeled by a simple power law complemented by a work hardening equation. The finite element framework is based on a Lagrangian formulation, where a kinematic split of the deformation gradient into volume preserving and volumetric parts together with a three-field form of the Hu-Washizu variational principle is adopted to create a stable finite element method. Examples involving simple deformations of an aluminum alloy are modeled to predict inhomogeneous fields on the grain scale, and the macroscopic effective stress-strain curve and texture evolution are compared to those obtained using both upper and lower bound models.

• Environmental Engineering Research
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• v.10 no.2
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• pp.88-103
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• 2005

In this paper, data-driven modeling and multiresolution analysis (MRA) are applied for a full-scale wastewater treatment plant (WWTP). The proposed method is based on modeling by partial least squares (PLS) and multiscale monitoring by a generic dissimilarity measure (GDM), which is suitable for nonstationary and non-normal process monitoring such as a biological process. Case study in an industrial plant showed that the PLS model could give good modeling performance and analyze the dynamics of a complex plant and MRA was useful to detect and isolate various faults due to its multiscale nature. The proposed method enables us to show the underlying phenomena as well as to filter out unwanted and disturbing phenomena.

• Nuclear Engineering and Technology
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• v.50 no.1
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• pp.1-17
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• 2018

This article reviews the multiscale nature of stress corrosion cracking (SCC) observed by high-resolution characterizations in austenite stainless steels and Ni-base superalloys in light water reactors (including boiling water reactors, pressurized water reactors, and supercritical water reactors) with related opinions. A new statistical summary and comparison of observed degradation phenomena at different length scales is included. The intrinsic causes of this multiscale nature of SCC are discussed based on existing evidence and related opinions, ranging from materials theory to practical processing technologies. Questions of interest are then discussed to improve bottom-up understanding of the intrinsic causes. Last, a multiscale modeling and simulation methodology is proposed as a promising interdisciplinary solution to understand the intrinsic causes of the multiscale nature of SCC in light water reactors, based on a review of related supporting application evidence.

• Interaction and multiscale mechanics
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• v.1 no.4
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• pp.467-476
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• 2008

In this work, a nano-size rocksalt crystal (magnesium oxide) is considered as a continuous collection of unit cells, while each unit cell consists of discrete atoms; and modeled by a multiscale concurrent atomic/continuum field theory. The response of the crystal to an electromagnetic (EM) wave is studied. Finite element analysis is performed by solving the governing equations of the multiscale theory. Due to the applied EM field, the inhomogeneous motions of discrete atoms in the polarizable crystal give rise to the change of microstructure and the polarization wave. The relation between the natural frequency of this system and the driving frequency of the applied EM field is found and discussed.

• Smart Structures and Systems
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• v.8 no.1
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• pp.17-37
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• 2011

The microcantilever (MCL) sensor is one of the most promising platforms for next-generation label-free biosensing applications. It outperforms conventional label-free detection methods in terms of portability and parallelization. In this paper, an overview of recent advances in our understanding of the coupling between biomolecular interactions and MCL responses is given. A dual compact optical MCL sensing platform was built to enable biosensing experiments both in gas-phase environments and in solutions. The thermal bimorph effect was found to be an effective nanomanipulator for the MCL platform calibration. The study of the alkanethiol self-assembly monolayer (SAM) chain length effect revealed that 1-octanethiol ($C_8H_{17}SH$) induced a larger deflection than that from 1-dodecanethiol ($C_{12}H_{25}SH$) in solutions. Using the clinically relevant biomarker C-reactive protein (CRP), we revealed that the analytical sensitivity of the MCL reached a diagnostic level of $1{\sim}500{\mu}g/ml$ within a 7% coefficient of variation. Using grazing incident x-ray diffractometer (GIXRD) analysis, we found that the gold surface was dominated by the (111) crystalline plane. Moreover, using X-ray photoelectron spectroscopy (XPS) analysis, we confirmed that the Au-S covalent bonds occurred in SAM adsorption whereas CRP molecular bindings occurred in protein analysis. First principles density functional theory (DFT) simulations were also used to examine biomolecular adsorption mechanisms. Multiscale modeling was then developed to connect the interactions at the molecular level with the MCL mechanical response. The alkanethiol SAM chain length effect in air was successfully predicted using the multiscale scheme.

• Wind and Structures
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• v.17 no.1
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• pp.1-19
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• 2013

A multiscale finite element method is applied to the Spalart-Allmaras turbulence model based detached-eddy simulation (DES). The multiscale arises from a decomposition of the scalar field into coarse (resolved) and fine (unresolved) scales. It corrects the lack of stability of the standard Galerkin formulation by modeling the scales that cannot be resolved by a given spatial discretization. The stabilization terms appear naturally and the resulting formulation provides effective stabilization in turbulent computations, where reaction-dominated effects strongly influence near-wall predictions. The multiscale DES is applied in the context of high-Reynolds flow over the Commonwealth Advisory Aeronautical Council (CAARC) standard tall building model, for both uniform and turbulent inflows. Time-averaged pressure coefficients on the exterior walls are compared with experiments and it is demonstrated that DES is able to resolve the turbulent features of the flow and accurately predict the surface pressure distributions under atmospheric boundary layer flows.