• Proceedings of the Korean Vacuum Society Conference
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• 2016.02a
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• pp.403.2-403.2
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• 2016

Porous materials play a significant role in energy storage and conversion applications such as catalyst support for polymer electrolyte membrane fuel cell. In particular, hierarchical porous materials with both micropores (poresize, ${\delta}$ < 2 nm) and regularly arranged mesopores (2 nm < ${\delta}$ < 50 nm) are known to greatly enhance the efficiency of catalytic reactions by providing enormous surface area as well as fast mass transport channels for both reactants and products from/to active sites. Although it is generally agreed that the microscopic structure of the porous materials directly affects the performance of these catalytic reactions, neither detailed mechanisms nor fundamental understanding are available at hand. In this study, we propose an atomistic model of hierarchical nanostructured porous carbons (HNPCs) in molecular dynamics simulations. By performing a systematic study, we found that structural features of the HNPC can be independently altered by tuning specific synthesis parameters, while remaining other structures unchanged. In addition, we show some structure-property relations including mechanical and gas transport properties.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.38 no.6
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• pp.547-556
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• 2010

For the safety of aircraft and accuracy of bombs, many companies have researched the new concept of adaptive kit to flying-bombs. For the long distance flying, it's normally used deployed high-aspect ratio wing because of limited volume. The probabilities of large elastic deformation and flutter are increased due to decreased stiffness of high-aspect ratio wing. In this paper, computational fluid dynamics and computational structure dynamics interaction methodology are applied for prediction of aerodynamic characteristics. FLUENT and ABAQUS are used to calculate fluid and structural dynamics. Code-bridge was made base on the compactly supported radial basis function to execute interpolation and mapping. There are some differences between rigid body and fluid-structure interaction analysis which are results of aerodynamics characteristics due to structural deformation. Small successive vibration was observed by interaction.

• International Journal of Control, Automation, and Systems
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• v.4 no.3
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• pp.382-393
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• 2006

Mechanical system dynamics plays an important role in the area of computational structural biology. Elastic network models (ENMs) for macromolecules (e.g., polymers, proteins, and nucleic acids such as DNA and RNA) have been developed to understand the relationship between their structure and biological function. For example. a protein, which is basically a folded polypeptide chain, can be simply modeled as a mass-spring system from the mechanical viewpoint. Since the conformational flexibility of a protein is dominantly subject to its chemical bond interactions (e.g., covalent bonds, salt bridges, and hydrogen bonds), these constraints can be modeled as linear spring connections between spatially proximal representatives in a variety of coarse-grained ENMs. Coarse-graining approaches enable one to simulate harmonic and anharmonic motions of large macromolecules in a PC, while all-atom based molecular dynamics (MD) simulation has been conventionally performed with an aid of supercomputer. A harmonic analysis of a macroscopic mechanical system, called normal mode analysis, has been adopted to analyze thermal fluctuations of a microscopic biological system around its equilibrium state. Furthermore, a structure-based system optimization, called elastic network interpolation, has been developed to predict nonlinear transition (or folding) pathways between two different functional states of a same macromolecule. The good agreement of simulation and experiment allows the employment of coarse-grained ENMs as a versatile tool for the study of macromolecular dynamics.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2005.11a
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• pp.834-837
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• 2005

Structural Dynamics Modification (SDM) is a very effective technique to improve structure's dynamic characteristics by adding or removing auxiliary structures, changing material properties and shape of structure. Among those of SDM technique, the method to change shape of structure has been mostly relied on engineer's experience and trial-and-error process which are very time consuming. In order to develop a systematic method to change structure shape, surface grooving technique is studied and successfully applied to HDD cover model. At first, to check the effect of mesh size, surface grooving technique was tested to the fine HDD cover FEmodel. And fur the more efficient method, the algorithm is modified. Removing the low-valued modal strain energy element among the target domain, computational effort can be greatly reduced and the result of simulation is similar with the other simulation result.

• Journal of computational fluids engineering
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• v.14 no.3
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• pp.49-55
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• 2009

This study focuses on the near-field vortical structure and dynamics of coaxial jets. The characteristics of laminar flow and mixing in coaxial jets are investigated using a unsteady flow simulation. In order to analyze the geometric effects on the vortical structure, several cases of different configurations are selected for various values of the velocity ratio of inner jet to outer jet. From the result, it is confirmed that the flow mixing is promoted by the development of vortical structure and the interaction between inner jet and outer jet. This feature is strongly related to the vortex frequency in the shear-layers. The vortex frequency depends on the velocity ratio and the lip thickness of inner nozzle, but the outer pipe length has no effect on the frequency variation.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2006.05a
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• pp.959-963
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• 2006

A three-dimensional elastic blood vessel model with internal diameter variation is considered to investigate internal flow characteristics and effects of structural deformation. Also, computational analyses for both the rigid model and the fully-coupled FSI model have been conducted in order to compare the shear stress, pressure distribution, and flow velocity in detail. A 70% narrowing area of asymmetric blood vessel model was especially investigated to show the versatility of fluid-structure interaction phenomenon. The results reveal that effect of fluid-structure interaction is very important to accurately investigate the flow characteristics of the blood vessel.

• Computational Structural Engineering : An International Journal
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• v.2 no.1
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• pp.25-32
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• 2002

Natural draught cooling towers often develop visible crack structures as consequences of progressive damage processes over their life-time. The aim of this paper is a numerical demonstration of the progressive damage process of cooling towers, representatively for the reinforced concrete structures, in order to improve the durability and extend the life-time of structures subjected to such damage processes. For the analyses, the applied material model for reinforced concrete will be briefly introduced. An existing natural draught cooling tower with a pronounced crack structure, in which this crack structure indicates the typical damage pattern of large cooling towers will be numerically simulated. The change of dynamical behavior of the structure with regard to natural frequencies, reflecting the global damage process due to the degrading stiffness of the structure in dependence of the load type and intensity, will be presented and discussed.

• Steel and Composite Structures
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• v.10 no.2
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• pp.129-149
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• 2010

The objective of this study is to formulate a general 3D material-structural analysis framework for the thermomechanical behavior of steel-concrete structures in a fire environment. The proposed analysis framework consists of three sequential modeling parts: fire dynamics simulation, heat transfer analysis, and a thermomechanical stress analysis of the structure. The first modeling part consists of applying the NIST (National Institute of Standards and Technology) Fire Dynamics Simulator (FDS) where coupled CFD (Computational Fluid Dynamics) with thermodynamics are combined to realistically model the fire progression within the steel-concrete structure. The goal is to generate the spatial-temporal (ST) solution variables (temperature, heat flux) on the surfaces of the structure. The FDS-ST solutions are generated in a discrete form. Continuous FDS-ST approximations are then developed to represent the temperature or heat-flux at any given time or point within the structure. An extensive numerical study is carried out to examine the best ST approximation functions that strike a balance between accuracy and simplicity. The second modeling part consists of a finite-element (FE) transient heat analysis of the structure using the continuous FDS-ST surface variables as prescribed thermal boundary conditions. The third modeling part is a thermomechanical FE structural analysis using both nonlinear material and geometry. The temperature history from the second modeling part is used at all nodal points. The ABAQUS (2003) FE code is used with external user subroutines for the second and third simulation parts in order to describe the specific heat temperature nonlinear dependency that drastically affects the transient thermal solution especially for concrete materials. User subroutines are also developed to apply the continuous FDS-ST surface nodal boundary conditions in the transient heat FE analysis. The proposed modeling framework is applied to predict the temperature and deflection of the well-documented third Cardington fire test.

• 유체기계공업학회:학술대회논문집
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• 2003.12a
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• pp.265-277
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• 2003

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2009.04a
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• pp.38-41
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• 2009

Debonding behavior of symmetric tilt bicrystal interfaces with <100> misorientation axis is investigated through molecular dynamics simulations. FCC single crystal copper is considered in each grain and the model is idealized as a grain boundary under mechanical loading. Embedded-Atom Method potential is chosen to calculate the interatomic forces between atoms. Constrained tensile deformations are applied to a variety of misorientation angles in order to estimate the effect of grain boundary angle on local peak stress. A new parameter of symmetric grain-boundary structure is introduced and refines the correlation between grain boundary angle and local peak stress.