• Interaction and multiscale mechanics
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• v.3 no.1
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• pp.1-22
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• 2010

In this paper one introduces a method of multiscale modelling called collection of dynamical systems with dimensional reduction. The method is suggested to be an appropriate approach to theoretical modelling of phenomena in mechanics of materials having in mind especially dynamics of processes. Within this method one formalizes scale of averaging of processes during modelling. To this end a collection of dynamical systems is distinguished within an elementary dynamical system. One introduces a dimensional reduction procedure which is designed to be a method of transition between various scales. In order to consider continuum models as obtained by means of the dimensional reduction one introduces continuum with finite-dimensional fields. Owing to geometrical elements associated with the elementary dynamical system we can formalize scale of averaging within continuum mechanics approach. In general presented here approach is viewed as a continuation of the rational mechanics.

• Interaction and multiscale mechanics
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• v.1 no.1
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• pp.1-31
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• 2008

The present paper presents multiscale modelling via coupling of the discrete and finite element methods. Theoretical formulation of the discrete element method using spherical or cylindrical particles has been briefly reviewed. Basic equations of the finite element method using the explicit time integration have been given. The micr-macro transition for the discrete element method has been discussed. Theoretical formulations for macroscopic stress and strain tensors have been given. Determination of macroscopic constitutive properties using dimensionless micro-macro relationships has been proposed. The formulation of the multiscale DEM/FEM model employing the DEM and FEM in different subdomains of the same body has been presented. The coupling allows the use of partially overlapping DEM and FEM subdomains. The overlap zone in the two coupling algorithms is introduced in order to provide a smooth transition from one discretization method to the other. Coupling between the DEM and FEM subdomains is provided by additional kinematic constraints imposed by means of either the Lagrange multipliers or penalty function method. The coupled DEM/FEM formulation has been implemented in the authors' own numerical program. Good performance of the numerical algorithms has been demonstrated in a number of examples.

• Korean Chemical Engineering Research
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• v.45 no.6
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• pp.582-590
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• 2007

In view of the analysis of the phenomena and the prediction of the performance, mathematical modelling and simulation of a high temperature pilot reactor for water gas shift reaction (WGSR) has been carried out. Multiscale simulation incorporated computational fluid dynamics (CFD) technique, which has the capability to deal with the reactor shape, fluid and energy transport with extensive degree of accuracy, and process modeling technique, which, in turn is responsible for reaction kinetics and mass transport. This research employed multiscale simulation and the results were compared with those from process simulation. From multiscale simulation, the maximum conversion of was predicted approximately 0.85 and the maximum temperature at the reactor was calculated 720 K, resulting from the heat of reaction. Dynamic simulation was also performed for the time transient profile of temperature, conversion, etc. Considering the results, it is concluded that multiscale simulation is a safe and accurate technique to predict reactor behaviors, and consequently will be available for the design of commercial size chemical reactors as well as other commercial unit operations.

• Nuclear Engineering and Technology
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• v.37 no.6
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• pp.511-524
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• 2005

Thermalhydraulic reactor simulation of tomorrow will require a new generation of codes combining at least three scales, the CFD scale in open medium, the component scale and the system scale. DNS will be used as a support for modelling more macroscopic models. NEPTUNE is such a new generation multi-scale platform developed jointly by CEA-DEN and EDF-R&D and also supported by IRSN and FRAMATOME-ANP. The major steps towards the next generation lie in new physical models and improved numerical methods. This paper presents the advances obtained so far in physical modelling for each scale. Macroscopic models of system and component scales include multi-field modelling, transport of interfacial area, and turbulence modelling. Two-phase CFD or CMFD was first applied to boiling bubbly flow for departure from nucleate boiling investigations and to stratified flow for pressurised thermal shock investigations. The main challenges of the project are presented, some selected results are shown for each scale, and the perspectives for future are also drawn. Direct Numerical Simulation tools with Interface Tracking Techniques are also developed for even smaller scale investigations leading to a better understanding of basic physical processes and allowing the development of closure relations for macroscopic and CFD models.

• Nuclear Engineering and Technology
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• v.56 no.1
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• pp.34-41
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• 2024

This work presents experimental data and modelling of the release of Mo from high-burnup spent nuclear fuel (63 MWd/kgU) at two different pH values, 8.4 and 13.2 in air. The release of Mo from SF to the solution is around two orders of magnitude higher at pH = 13.2 than at pH = 8.4. The high Mo release at high pH would indicate that Mo would not be congruently released with uranium and would have an important contribution to the Instant Release Fraction, with a value of 5.3%. Parallel experiments with pure non irradiated Mo(s) and XPS determinations indicated that the faster dissolution at pH = 13.2 could be the consequence of the higher releases from metallic Mo in the fuel through a surface complexation mechanism promoted by the OH^- and the oxidation of the metal to Mo(VI) via the formation of intermediate Mo(IV) and Mo(V) species.

• Korean Chemical Engineering Research
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• v.46 no.5
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• pp.931-937
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• 2008

Rigorous multiscale modelling and simulation of the MTR for WGSR was carried out to accurately predict the behavior of process variables and the reactor performance. The MTR consists of 4 fixed bed tube reactors packed with heterogeneous catalysts, as well as surrounding shell part for the cooling purpose. Considering that fluid flow field and reaction kinetics give a great influence on the reactor performance, employing multiscale methodology encompassing Computational Fluid Dynamics (CFD) and process modeling was natural and, in a sense, inevitable conclusion. Inlet and outlet temperature of the reactant fluid at the tube side was $345^{\circ}C$ and $390^{\circ}C$, respectively and the CO conversion at the exit of the tube side with these conditions approached to about 0.89. At the shell side, the inlet and outlet temperature of the cooling fluid, which flows counter-currently to tube flow, was $190^{\circ}C$ and $240^{\circ}C$. From this heat exchange, the energy saving was achieved for the flow at shell side and temperature of the tube side was properly controlled to obtain high CO conversion. The simulation results from this research were accurately comparable to the experimental data from various papers.

• Interaction and multiscale mechanics
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• v.7 no.1
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• pp.563-571
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• 2014

This study investigated the collision of ships withfloating pier structures. The nature of the collision phenomenon is complex, and the understanding of it has developed through the modelling of offshore structures. ABAQUS software was used to investigate the collision phenomenon. The interaction between the ship and structural system was modelled, and the stress distribution both at thetime of collision and afterwardswasobserved and modelled. The strain energy absorption by different structural partswas calculated and comparisonswere made.

• Nuclear Engineering and Technology
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• v.43 no.6
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• pp.477-488
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• 2011

A formulation is proposed for modelling the process of intra-granular diffusion of fission gas during irradiation of $UO_2$ under both normal operating conditions and power transients. The concept represents a simple extension of the formulation of Speight, including an estimation of the contribution of bubble motion to fission gas diffusion. The resulting equation is formally identical to the diffusion equation adopted in most models that are based on the formulation of Speight, therefore retaining the advantages in terms of simplicity of the mathematical-numerical treatment and allowing application in integral fuel performance codes. The development of the new model proposed here relies on results obtained by means of molecular dynamics simulations as well as finite element computations. The formulation is proposed for incorporation in the TRANSURANUS fuel performance code.

• Interaction and multiscale mechanics
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• v.1 no.1
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• pp.33-51
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• 2008

This paper investigates the modelling of coupled soil-structure interaction problems by domain decomposition techniques. It is assumed that the soil-structure system is physically partitioned into soil and structure subdomains, which are independently modelled. Coupling of the separately modelled partitioned subdomains is undertaken with various algorithms based on the sequential iterative Dirichlet-Neumann sub-structuring method, which ensures compatibility and equilibrium at the interface boundaries of the subdomains. A number of mathematical and computational characteristics of the coupling algorithms, including the convergence conditions and choice of algorithmic parameters leading to enhanced convergence of the iterative method, are discussed. Based on the presented coupling algorithms a simulation environment, utilizing discipline-oriented solvers for nonlinear structural and geotechnical analysis, is developed which is used here to demonstrate the performance characteristics and benefits of various algorithms. Finally, the developed tool is used in a case study involving nonlinear soil-structure interaction analysis between a plane frame and soil subjected to ground excavation. This study highlights the relative performance of the various considered coupling algorithms in modelling real soil-structure interaction problems, in which nonlinearity arises in both the structure and the soil, and leads to important conclusions regarding their adequacy for such problems as well as the prospects for further enhancements.

• Journal of Environmental Impact Assessment
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• v.15 no.3
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• pp.193-206
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• 2006

Recently, high ozone episode occurred frequently in Korea. Moreover ozone episode occurred not only in the city but also in background area where local anthropogenic sources are not important. It analyzed frequency exceeding 100ppb ozone at air quality monitoring stations in Seoul and rural area during 1995-2004. This paper reports on the use of the Community Multiscale Air Quality (CMAQ) modelling system to predict hourly ozone levels. Domain resolutions of 30km, 10km, 3.333km (innermost) have been employed for this study. Summer periods in June 2004 have been simulated and the predicted results have been compared to data for metropolitan and rural air quality monitoring stations. The model performance has been evaluated with measured data through a range of statistical measures. Although, the CMAQ model reproduces the ozone temporal spatial trends it was not able to simulate the peak magnitudes consistently.