• Transactions of Materials Processing
• /
• v.21 no.6
• /
• pp.366-371
• /
• 2012

Atomistic simulations have become useful tools for exploring new insights in materials science, but the length and time scale that can be handled with atomistic simulations are seriously limiting their practical applications. In order to make meaningful quantitative predictions, atomistic simulations are necessarily combined with higher-scale modeling. The present research is thus concerned with the development of a multi-scale model and its application to the prediction of the mechanical properties of body-centered cubic(BCC) iron with an emphasis on the coupling of atomistic molecular dynamics with meso-scale discrete dislocation dynamics modeling. In order to achieve predictive multi-scale simulations, it is necessary to properly incorporate atomistic details into the meso-scale approach. This challenge is handled with the proposed hierarchical information passing strategy from atomistic to meso-scale by obtaining material properties and dislocation mobility. Finally, this fundamental and physics-based meso-scale approach is employed for quantitative predictions of the mechanical response of single crystal iron.

• Smart Media Journal
• /
• v.12 no.9
• /
• pp.45-59
• /
• 2023

Weakly supervised object localization (WSOL) is a task of localizing an object in an image using only image-level labels. Previous studies have followed the conventional class activation mapping (CAM) pipeline. However, we reveal the current CAM approach suffers from problems which cause original CAM could not capture the complete defects features. This work utilizes a convolutional neural network (CNN) pretrained on image-level labels to generate class activation maps in a multi-scale manner to highlight discriminative regions. Additionally, a vision transformer (ViT) pretrained was treated to produce multi-head attention maps as an auxiliary detector. By integrating the CNN-based CAMs and attention maps, our approach localizes defective regions without requiring bounding box or pixel-level supervision during training. We evaluate our approach on a dataset of apple images with only image-level labels of defect categories. Experiments demonstrate our proposed method aligns with several Object Detection models performance, hold a promise for improving localization.

• 한국전산유체공학회:학술대회논문집
• /
• 2005.10a
• /
• pp.49-53
• /
• 2005

This paper presents a multi-scale hybrid simulation for the design of a catalytic multi-tubular reactor with high performance. The multi-tubular reactor consists of shell and a large number of tubes in which various catalytic chemical reactions occur. To consider fluid dynamics in the shell-side and kinetics in the tube-side at the same time, commercial CFD package and process simulation tool are coupled. This hybrid approach allowed us to predict many kinds of meaningful results such as tube center temperature profile, heat transfer coefficients on the tube wall, temperature rise of cooling medium, pressure drop through shell and tube side, concentration profile of each chemical species along the tube, and so on., and to achieve the optimal reactor design.

• Nuclear Engineering and Technology
• /
• v.42 no.6
• /
• pp.620-635
• /
• 2010

In this paper we describe current activities on the project Multi-Scale Modeling and Analysis of convective boiling (MSMA), conducted jointly by the Paul Scherrer Institute (PSI) and the Swiss Nuclear Utilities (Swissnuclear). The long-term aim of the MSMA project is to formulate improved closure laws for Computational Fluid Dynamics (CFD) simulations for prediction of convective boiling and eventually of the Critical Heat Flux (CHF). As boiling is controlled by the competition of numerous phenomena at various length and time scales, a multi-scale approach is employed to tackle the problem at different scales. In the MSMA project, the scales on which we focus range from the CFD scale (macro-scale), bubble size scale (meso-scale), liquid micro-layer and triple interline scale (micro-scale), and molecular scale (nano-scale). The current focus of the project is on micro- and meso-scales modeling. The numerical framework comprises a highly efficient, parallel DNS solver, the PSI-BOIL code. The code has incorporated an Immersed Boundary Method (IBM) to tackle complex geometries. For simulation of meso-scales (bubbles), we use the Constrained Interpolation Profile method: Conservative Semi-Lagrangian $2^{nd}$ order (CIP-CSL2). The phase change is described either by applying conventional jump conditions at the interface, or by using the Phase Field (PF) approach. In this work, we present selected results for flows in complex geometry using the IBM, selected bubbly flow simulations using the CIP-CSL2 method and results for phase change using the PF approach. In the subsequent stage of the project, the importance of effects of nano-scale processes on the global boiling heat transfer will be evaluated. To validate the models, more experimental information will be needed in the future, so it is expected that the MSMA project will become the seed for a long-term, combined theoretical and experimental program.

• Nuclear Engineering and Technology
• /
• v.56 no.3
• /
• pp.980-992
• /
• 2024

Steam line break accident (SLB) in the nuclear reactor is one of the representative Non-LOCA accidents in which thermal-hydraulics and neutron kinetics are strongly coupled each other. Thus, the multi-scale and multi-physics approach is applied in this study in order to examine a realistic safety margin. An entire reactor coolant system is modelled by system scale node, whereas sub-channel scale resolution is applied for the region of interest such as the reactor core. Fuel performance code is extended to consider full core pin-wise fuel behaviour. The MARU platform is developed for easy integration of the codes to be coupled. An initial stage of the steam line break accident is simulated on the MARU platform. As cold coolant is injected from the cold leg into the reactor pressure vessel, the power increases due to the moderator feedback. Three-dimensional coolant and fuel behaviour are qualitatively visualized for easy comprehension. Moreover, quantitative investigation is added by focusing on the enhancement of safety margin by means of comparing the minimum departure from nucleate boiling ratio (MDNBR). Three factors contributing to the increase of the MDNBR are proposed: Various geometric parameters, realistic power distribution by neutron kinetics code, Radial coolant mixing including sub-channel physics model.

• Journal of the Korean Institute of Electrical and Electronic Material Engineers
• /
• v.27 no.12
• /
• pp.767-775
• /
• 2014

New material design has obtained tremendous attention in material science community as the performance of new materials, especially in nano length scale, could be greatly improved to applied in modern industry. In certain conditions limiting experimental synthesis of these new materials, new approach by computer simulation has been proposed to be applied, being able to save time and cost. Recent development of computer systems with high speed, large memory, and parallel algorithms enables to analyze individual atoms using first principle calculation to predict quantum phenomena. Beyond the quantum level calculations, mesoscopic scale and continuum limit can be addressed either individually or together as a multi-scale approach. In this article, we introduced current endeavors on material design using analytical theory and computer simulations in multi-length scales and on multi-physical properties. Some of the physical phenomena was shown to be interconnected via a cross-link rule called 'cross-property relation'. It is suggested that the computer simulation approach by multi-physics analysis can be efficiently applied to design new materials for multi-functional characteristics.

• Steel and Composite Structures
• /
• v.31 no.5
• /
• pp.517-527
• /
• 2019

To move forward in large steps rather than in small increments, the community would benefit from a systematic and comprehensive database of multi-scale composites and measured properties, driven by comprehensive studies with a full range of types of fiber-reinforced polymers. The multi-scale hierarchy is a promising chemical approach that provides superior performance in synergistically integrated microstructured fibers and nanostructured materials in composite applications. Achieving high-efficiency thermal conductivity and mechanical properties with a simple surface treatment on single-walled carbon nanotubes (SWCNTs) is important for multi-scale composites. The main purpose of the project is to introduce ozone-treated SWCNTs between an epoxy matrix and basalt fibers to improve mechanical properties and thermal conductivity by enhancing dispersion and interfacial adhesion. The obvious advantage of this approach is that it is much more effective than the conventional approach at improving the thermal conductivity and mechanical properties of materials under an equivalent load, and shows particularly significant improvement for high loads. Such an effort could accelerate the conversion of multi-scale composites into high performance materials and provide more rational guidance and fundamental understanding towards realizing the theoretical limits of thermal and mechanical properties.

• Journal of the Korean Society of Manufacturing Process Engineers
• /
• v.8 no.1
• /
• pp.43-47
• /
• 2009

Recently, an approach for nano-scale material deformation has been developed that couples the atomistic and continuum approaches using Finite Element Method (FEM) and Molecular Dynamics (MD). However, this approach still has problems to connect two approaches because of the difference of basic assumptions, continuum and atomistic modeling. To solve this problem, an alternative way is developed that connects the QuasiMolecular Dynamics (QMD) and molecular dynamics. In this paper, we suggest the way to make and validate the MD-QMD coupled model.

• Proceedings of the Computational Structural Engineering Institute Conference
• /
• 2006.04a
• /
• pp.531-534
• /
• 2006

A multi-scale (macro-micro) finite element framework for analysis of polycrystalline solids is suggested. The proposed frame work is strongly-coupled in a sense that the two scale calculation is performed at the same time. The issue of averaging micro-scale material stress and stiffness is addressed and a strategy is proposed. The proposed framework is implemented and applied to two examples having different geometries and loading modes. It is concluded that the proposed multi-scale framework can be used for more detailed and accurate analysis compared with the single-scale finite element analysis.

• Coupled systems mechanics
• /
• v.11 no.1
• /
• pp.55-78
• /
• 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.