• Journal of the Computational Structural Engineering Institute of Korea
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• v.25 no.4
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• pp.301-305
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• 2012

In this work the mechanical behaviors of GaN nanowires are analyzed during tension, compression, and unloading deformations. The thermal conductivity of the nanowires at each deformed state is evaluated using an equilibrium Green-Kubo approach. Under tensile loading, the [0001]-oriented nanowires with hexagonal cross-sections undergo a phase transformation from wurtzite to a tetragonal structure. The phase transformation is not observed under compressive loading. The thermal conductivity decreases on going from compressive strains to tensile strains. The strain dependence of the thermal conductivity results from the relaxation time of phonon. A reverse transformation from the tetragonal structure to the wurtzite structure is observed during unloading. The thermal conductivities in the intermediate states are lower than the conductivity in the wurtzite structure at same strain. Such differences in the thermal conductivity between different atomic structures are mainly due to changes in the group velocity of phonon.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.25 no.5
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• pp.375-380
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• 2012

In this study, dynamic load and dynamic contact force between a building block and wire ropes of a goliath crane are calculated during lifting or turn-over of a building block for the design of an optimal lug arrangement system. In addition, a multibody dynamics kernel for implementing the system were developed. In the multibody dynamics kernel, the equations of motion are constructed using recursive formulation. To evaluate the applicability of the developed kernels, the interferences and dynamic contact force between the building block and wire ropes were calculated and then the hull structural analysis for the block was performed using the calculation result.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.27 no.3
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• pp.137-145
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• 2014

We present a design sensitivity analysis(DSA) method for multiscale problems based on bridging scale decomposition. In this paper, we utilize a bridging scale method for the coupled system analysis. Since the analysis of full MD systems requires huge amount of computational costs, a coupled system of MD-level and continuum-level simulation is usually preferred. The information exchange between the MD and continuum levels is taken place at the MD-continuum boundary. In the bridging scale method, a generalized Langevin equation(GLE) is introduced for the reduced MD system and the GLE force using a time history kernel is applied at the boundary atoms in the MD system. Therefore, we can separately analyze the MD and continuum level simulations, which can accelerate the computing process. Once the simulation of coupled problems is successful, the need for the DSA is naturally arising for the optimization of macro-scale design, where the macro scale performance of the system is maximized considering the micro scale effects. The finite difference sensitivity is impractical for the gradient based optimization of large scale problems due to the restriction of computing costs but the analytical sensitivity for the coupled system is always accurate. In this study, we derive the analytical design sensitivity to verify the accuracy and applicability to the design optimization of the coupled system.

• Journal of the KSME
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• v.44 no.3
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• pp.70-78
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• 2004

이 글에서는 MD 전산모사를 통해 합성거동의 원자규모 해석, 계면에서의 원자혼합 거동, 박막 구조의 원자규모 분석 및 박막 물성과의 관계규명이 가능함을 소개하고, 또한, 탄소에 관한 Tersoft 포텐셜 함수의 한계로부터 포텐셜 함수의 개선이 필요함을 보여준다.

• Composites Research
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• v.30 no.4
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• pp.247-253
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• 2017

In this study, the mechanical behavior and interface properties of boron nitride nanotube-poly(methyl methacrylate) nanocomposites are predicted using the molecular dynamics simulations and the double inclusion model. After modeling nanocomposite unit cell embedding single-walled nanotube and polymer, the stiffness matrix is determined from uniaxial tension and shear tests. Through the orientation average of the transversely isotropic stiffness matrix, the effective isotropic elastic constants of randomly dispersed microstructure of nanocomposites. Compared with the double inclusion model solution with a perfect interfacial condition, it is found that the interface between boron nitride nanotube and polymer matrix is weak in nature. To characterize the interphase surrounding the nanotube, the two step domain decomposition method incorporating a linear spring model at the interface is adopted. As a result, various combinations of the interfacial compliance and the interphase elastic constants are successfully determined from an inverse analysis.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.13 no.1
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• pp.37-49
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• 2000

This paper is for the first essential study on the development of unified finite element formulations for solving problems related to the dynamics/thermoelastics behavior of solids. In the first part of formulations, the finite element method is based on the introduction of a new quantity defined as heat displacement, which allows the heat conduction equations to be written in a form equivalent to the equation of motion, and the equations of coupled thermoelasticity to be written in a unified form. The equations obtained are used to express a variational formulation which, together with the concept of generalized coordinates, yields a set of differential equations with the time as an independent variable. Using the Laplace transform, the resulting finite element equations are described in the transform domain. In the second, the Laplace transform is applied to both the equation of heat conduction derived in the first part and the equations of motions and their corresponding boundary conditions, which is referred to the transformed equation. Selections of interpolation functions dependent on only the space variable and an application of the weighted residual method to the coupled equation result in the necessary finite element matrices in the transformed domain. Finally, to prove the validity of two approaches, a comparison with one finite element equation and the other is made term by term.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.20 no.3
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• pp.287-292
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• 2007

In general, the response of bulk material is independent of its size when it comes to considering classical elasticity theory. Because the surface to bulk ratio of the large solids is very small, the influence of surface can be negligible. But the surface effect plays important role as the surface to bulk ratio becomes larger, that is, the contribution of the surface effect must be considered in nano-size elements such as thin film or beam structure. Molecular dynamics computation has been a conventional way to analyze these ultra-thin structures but this method is limited to simulate on the order of $10^6{\sim}10^9$ atoms for a few nanoseconds, and besides, very time consuming. Analysis of structures in submicro to micro range(thin-film, wire etc.) is difficult with classical molecular dynamics due to the restriction of computing resources and time. Therefore, in this paper, the continuum-based method is considered to simulate the overall physical and mechanical properties of the structures in nano-scale, especially, for the thin-film.

• Membrane Journal
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• v.32 no.1
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• pp.57-65
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• 2022

Recently, computer simulation research has been rapidly increasing due to the development of computer and software technology. In particular, various computational simulation results related to polymers, which were previously limited by problems of the number of atoms and model size, are being published. In this study, a study was conducted to analyze the mechanical properties, one of the important properties for using a polymer material as a membrane, using molecular dynamics (MD) simulation. To this end, polyethylene (PE) and polystyrene (PS), which are commercial polymer materials with widely reported related properties, were selected as polymer models and the tensile properties of each polymer were compared through the difference in main chain length. Through the density, radius of gyration, and scattering analysis, it was found that the model produced in this study was in good agreement with the mechanical property trends obtained in the actual experiment. It is expected to enable the prediction of mechanical properties of various polymer materials for membrane fabrication.

• Journal of the Korean Society of Manufacturing Technology Engineers
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• v.19 no.3
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• pp.307-312
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• 2010

In this study, advanced computational technique for mechatronic analysis has been developed for the efficient design and test of typical machine tool models. Flexible multi-body dynamic (FMBD) analysis method combined with motion controller including control logics is used to simulate typical operation conditions. The present FMBD machine tool model is composed of flexible column structure, rigid body spindle, vertical motion guide (arm) and screw elements. Driving motor clement with rotating degree-of-freedom is interconnected and governed by the designed Matlab Simulink control logic, and then the position of the spindle is feedback into the control logic. It is practically shown from the results that the investigation of designed machine tools with controller can be effectively conducted and verified.

• Journal of the Korean Society for Aeronautical & Space Sciences
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• v.36 no.12
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• pp.1139-1145
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• 2008

numerical study on the coupled fluid-structure for a rotor blade in hover was conducted. Computational fluid dynamics code with enhanced wake-capturing capability is coupled with a simple structural dynamics code based on Euler-Bernoulli's beam equation. The numerical results show a reasonable blade structural deformation and aerodynamic characteristics.