• Proceedings of the Computational Structural Engineering Institute Conference
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• 2009.04a
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• pp.243-246
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• 2009

본 연구에서는 분자동역학 전산모사와 미시역학 모델을 이용하여 나노입자의 크기와 체적분율 변화가 나노복합재의 물성변화에 미치는 영향을 효과적으로 묘사할 수 있는 순차적 브리징 해석기법을 개발하였다. 나노 입자의 크기변화와 체적분율 변화에 따른 영률과 전단계수를 분자동역학 전산모사를 통해 예측한 후, 이를 연속체 모델에서 구현하기 위해 다중입자 모델을 적용하였다. 나노입자의 크기효과를 반영하기 위해 입자와 기지 사이에 유효계면을 추가적인 상으로 도입하였고, 체적분율 효과는 나노복합재를 둘러싸는 무한영역의 물성값을 통해 조절되도록 하였다. 유효계면과 무한영역의 물성을 입자의 반경과 체적분율의 함수로 근사한 후, 다양한 입자의 크기와 체적분율에서 나타나는 나노복합재의 물성변화를 예측하였다. 제안된 해석기법의 적용을 통해 분자동역학 전산모사 결과와 잘 일치하는 예측해를 효과적으로 얻을 수 있었다.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2011.04a
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• pp.127-130
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• 2011

본 연구에서는 나노입자와 고분자 기지 간에 공유결합을 형성시킨 나노복합재의 계면특성과 탄성계수에서 나타나는 크기효과를 고려하기 위해 분자동역학과 미시역학모델을 순차적으로 연계하는 멀티스케일 해석모델을 제안하였다. 나노입자의 체적분율이 동일한 5개의 나노복합재 셀에 대해, 입자의 표면 원자와 고분자 기지 간에 탄소로 구성된 공유결합을 생성시킨 후 분자동 역학 전산모사를 통해 탄성계수를 예측하였고, 공유결합이 존재하지 않는 나노복합재의 탄성계수와 이를 비교하여 계면의 물성증가와 탄성계수에서 나타나는 입자의 크기효과를 규명하였다. 향상된 계면의 특성을 연속체 해석 모델에서 고려하기 위해 분자동역학 해석결과와 미시역학 모델을 연계하는 순차적 브리징 기법을 적용하였고, 이로부터 계산된 계면의 물성의 타당성을 유한요소 해석을 통해 검증하였다. 그 결과 입자와 기지 간 공유결합을 통해 나노복합재가 보다 넓은 범위에 걸친 크기효과를 나타냈으며, 제안된 브리징 모델을 통해서 물리적으로 타당한 계면의 탄성계수 값을 계산할 수 있었다.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.36 no.4
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• pp.465-474
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• 2012

In this study, a dynamic simulation model that considers many spherical particles and multibody dynamics (MBD) entities is developed. Plenteous spherical particles are solved using the Discrete Element Method (DEM) technique and simulated on a GPU board in a PC. A fast algorithm is used to calculate the Hertzian contact forces between many spherical particles, and NVIDIA CUDA is used to increase the calculation speed. The explicit integration method is applied to solve the many spheres. MBD entities are simulated by recursive formulation. Constraints are reduced by recursive formulation, and the implicit generalized alpha method is applied to solve the dynamic model. A new algorithm is developed to simulate the DEM and MBD models simultaneously. As a numerical example, a truck car model and gear model are developed. The results show that the proposed algorithm using a general-purpose GPU in a PC has many advantages.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2011.04a
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• pp.119-122
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• 2011

분자동역학 전산모사를 통하여 에폭시에 다양한 반경의 구형 실리콘 카바이드를 삽입한 나노복합재를 모델링하고, 이들의 기계적 물성과 열적 물성 해석을 다양한 온도조건 하에서 수행하였다. 전산모사 결과 동일한 체적분율 하에서 나노복합재는 입자의 크기가 작아질수록 탄성계수와 전단계수가 상승하는 동시에 선팽창계수는 감소하는 입자의 크기효과를 보였다. 또한 온도 상승에 따른 기계적 물성의 하락이 잘 관찰되었다. 본 연구에서는 이러한 분자동역학 해석 결과를 바탕으로 다양한 온도조건 하에서의 입자의 크기효과를 고려한 멀티스케일 3상 모델을 제시하였다. 유리상 조건 범위에서 온도 변화에 따른 나노복합재 계면의 열응력텐서와 열변형률텐서의 정보를 통해 복합재 내에서 계면이 차지하는 부피비를 온도에 대한 함수로 고려하고, 이를 멀티스케일 모델에 반영함으로써 다양한 온도조건에 대한 나노복합재 열탄성 물성의 예측해를 제시하였다. 본 연구에서 제시한 모델에서 계산된 3상 복합재의 물성은 분자동역학 전산모사의 결과에서 나타나는 나노입자의 크기효과를 잘 반영하였다.

• Proceedings of the Computational Structural Engineering Institute Conference
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• 2010.04a
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• pp.558-561
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• 2010

본 연구에서는 나노복합재의 탄소성 거동과 항복응력을 예측하기 위해 분자동역학 전산모사를 수행하였다. 나일론 기지와 실리카 나노입자가 포함된 단위 셀 구조로부터 나노입자의 체적분율 변화에 따른 응력-변형률 선도를 등변형률을 적용한 등온등압 앙상블 전산모사로부터 도출하였다. 4%의 변형률 범위에서 나노복합재의 탄성계수를 도출하였고, 이를 이용하여 2% 오프셋 방법으로 항복응력을 예측하였다. 나노입자의 유무에 따른 항복평면의 변화와 고분자 재료에서 나타나는 정수압 효과가 항복평면에 미치는 영향을 확인하기 위해 일축 인장/압축 그리고 이축 인장/압축을 수행하였고, 각각의 경우에 나타나는 나노복합재 내부의 자유체적 변화에 대한 분석을 통해 나노입자의 강화효과를 고찰하였다. 또한 고분자 기지로 인해 발생하는 정수압 효과를 반영한 von-Miss 항복평면을 도출하고, 입자의 체적분율 변화에 따른 항복응력의 예측이 가능하도록 정수압효과에 대한 파라메터를 체적분율의 함수로 근사하였다.

• KSCE Journal of Civil and Environmental Engineering Research
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• v.28 no.4A
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• pp.529-536
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• 2008

The failure behavior of structures is changed under different loading rates, which might arise from the rate dependency of materials. This phenomenon has been focused in the engineering fields. However, the failure mechanism is not fully understood yet, so that it is hard to be implemented in numerical simulations. In this study, the numerical experiments to a brittle material are simulated by the Molecular Dynamics (MD) for understanding the rate dependent failure behavior. The material specimen with a notch is modeled for the compact tension test simulation. Lennard-Jones potential is used to describe the properties of a brittle material. Several dynamic failure features under 6 different loading rates are achieved from the numerical experiments, where remarkable characteristics such as crack roughness, crack recession/arrest, and crack branching are observed during the crack propagation. These observations are interpreted by the energy inflow-consumption rates. This study will provides insight about the dynamic failure mechanism under different loading rates. In addition, the applicability of the MD to the macroscopic mechanics is estimated by simulating the previous experimental research.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.38 no.1
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• pp.17-23
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• 2014

Graphics processing units (GPUs) are ideal for solving problems involving parallel data computations. In this study, the GPU is used for effectively carrying out a multi-body dynamic simulation with particle dynamics. The Hilber-Hushes-Taylor (HHT) implicit integration algorithm is used to solve the integral equations. For detecting collisions among particles, the spatial subdivision algorithm and discrete-element methods (DEM) are employed. The developed program is verified by comparing its results with those of ADAMS. The numerical efficiencies of the serial program using the CPU and the parallel program using the GPU are compared in terms of the number of particles, and it is observed that when the number of particles is greater, more computing time is saved by using the GPU. In the present example, when the number of particles is 1,300, the computational speed of the parallel analysis program is about 5 times faster than that of the serial analysis program.

• Journal of KIISE:Computer Systems and Theory
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• v.32 no.1
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• pp.29-38
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• 2005

The fluid animation procedure consists of physical simulation and visual rendering. In the physical simulation of fluids, the most frequently used practices are the numerical simulation of fluid particles using particle dynamics equations and the continuum analysis of flow via Wavier-Stokes equation. Particle dynamics method is fast in calculation, but the resulting fluid motion is conditionally unrealistic The method using Wavier-Stokes equation, on the contrary, yields lifelike fluid motion when properly conditioned, yet the complexity of calculation restrains this method from being used in real-time applications. Global illumination is generally successful in producing premium-Duality rendered images, but is also excessively slow for real-time applications. In this paper, we propose a rapid fluid animation method incorporating enhanced particle dynamics simulation method and pre-integrated volume rendering technique. The particle dynamics simulation of fluid flow was conducted in real-time using Lennard-Jones model, and the computation efficiency was enhanced such that a small number of particles can represent a significant volume. For real-time rendering, pre-integrated volume rendering method was used so that fewer slices than ever can construct seamless inter-laminar shades. The proposed method could successfully simulate and render the fluid motion in real time at an acceptable speed and visual quality.

• 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.22 no.4
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• pp.343-348
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• 2009

In this study, an efficient sequential bridging method to characterize both the particle size effect and concentration effect on the mechanical properties of nanocomposites at high volume fraction is suggested through a molecular dynamics(MD) simulations and micromechanics of composites materials. The Young's modulus and the shear modulus of the nanocomposites at various particle radius and at 12% volume fraction were obtained from MD simulations and multi-inclusion model was adopted to describe both modulus in continuum model. In order to describe the particle size effect, an additional phase, effective interface, was adopted as characteristic phase and the non-dilute concentration effect which appears at 12% volume fraction was describe via the variation of the elastic modulus of the infinite medium. Both the elastic modulus of the interface and infinite medium were fitted into functions of particle radius for the applicability of the present bridging method at various particle radii. Using the present bridging method the elastic modulus of the nanocomposites was efficiently obtained with accuracy. In addition, the effect of the interface thickness and modulus on the elastic modulus of the nanocomposite was investigated.