• Interaction and multiscale mechanics
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• v.4 no.3
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• pp.219-237
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• 2011

Recent advances in scientific computing enable the full atomistic simulation of DNA molecules. However, there exists length and time scale limitations in molecular dynamics (MD) simulation for large DNA molecules. In this work, a two-level homogenization of DNA molecules is proposed. A wavelet projection method is first introduced to form a coarse-grained DNA molecule represented with superatoms. The coarsened MD model offers a simplified molecular structure for the continuum description of DNA molecules. The coarsened DNA molecular structure is then homogenized into a three-dimensional beam with embedded molecular properties. The methods to determine the elasticity constants in the continuum model are also presented. The proposed continuum model is adopted for the study of mechanical behavior of DNA loop.

• Coupled systems mechanics
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• v.4 no.2
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• pp.137-155
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• 2015

This paper presents a simple procedure to obtain a substitute, homogenized mechanical response of single layer graphene sheet. The procedure is based on the judicious combination of molecular mechanics simulation results and homogenization method. Moreover, a series of virtual experiments are performed on the representative graphene lattice. Following these results, the constitutive model development is based on the well-established continuum mechanics framework, that is, the non-linear membrane theory which includes the hyperelastic model in terms of principal stretches. A proof-of-concept and performance is shown on a simple model problem where the hyperelastic strain energy density function is chosen in polynomial form.

• Composites Research
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• v.33 no.4
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• pp.198-204
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• 2020

In this study, we employ the full atomistic molecular dynamics simulation and finite element homogenization method to predict the thermo-mechanical properties of nanocomposites including carbon nanotube bundle. As the number of carbon nanotubes within the single bundle increases, the effective in-plane Young's modulus and in-plane shear modulus decrease, and in-plane thermal expansion coefficient increases, despite the same volume fraction of carbon nanotubes. To investigate the thickness of interphase zone, we employ the radial density distribution. It is investigated that the interphase thickness is almost independent on the number of carbon nanotubes within the single bundle. It is assumed that the matrix and interphase are isotropic materials. According to the predicted thermo-mechanical properties of interphase zone, the Young's modulus and shear modulus of interphase zone clearly decrease, and the thermal expansion coefficient increases. Based on the thermo-mechanical interphase behavior, we developed the multiscale homogenization model to predict the thermo-mechanical properties of PLA nanocomposites that include the carbon nanotube bundle.

• Geomechanics and Engineering
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• v.16 no.3
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• pp.257-271
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• 2018

In this paper, the effect of the homogenization models on buckling and free vibration is presented for simply supported functionally graded plates (FGM) resting on elastic foundation. The majority of investigations developed in the last decade, explored the Voigt homogenization model to predict the effective proprieties of functionally graded materials at the macroscopic-scale for FGM mechanical behavior. For this reason, various models have been used to derive the effective proprieties of FGMs and simulate thereby their effects on the buckling and free vibration of FGM plates based on comparative studies that may differ in terms of several parameters. The refined plate theory, as used in this paper, is based on dividing the transverse displacement into both bending and shear components. This leads to a reduction in the number of unknowns and governing equations. Furthermore the present formulation utilizes a sinusoidal variation of displacement field across the thickness, and satisfies the stress-free boundary conditions on the upper and lower surfaces of the plate without requiring any shear correction factor. Equations of motion are derived from Hamilton's principle. Analytical solutions for the buckling and free vibration analysis are obtained for simply supported plates. The obtained results are compared with those predicted by other plate theories. This study shows the sensitivity of the obtained results to different homogenization models and that the results generated may vary considerably from one theory to another. Comprehensive visualization of results is provided. The analysis is relevant to aerospace, nuclear, civil and other structures.

• Structural Engineering and Mechanics
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• v.85 no.1
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• pp.105-118
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• 2023

The present work is an attempt to develop a simple and accurate finite element formulation for the assessment of thermal shock/thermally induced vibrations in pretwisted and tapered functionally graded material thin (FGM) blades obtained from Voigt and local representative volume elements (LRVE) homogenization models, based on neutral surface approach. The neutral surface of the FGM blade does not coincide with its mid-surface. A finite element model (FEM) is developed using first-order shear deformation theory (FSDT) and the FGM turbine blade is modelled according to the shallow shell theory. The top and the bottom layers of the FGM blade are made of pure ceramic and pure metal, respectively and temperature-dependent material properties are functionally graded in the thickness direction, the position of the neutral surface also depends on the temperature. The material properties are estimated according to two different homogenization models viz., Voigt or LRVE. The top layer of the FGM blade is subjected to high temperature and the bottom surface is either thermally insulated or kept at room temperature. The solution of the nonlinear profile of the temperature in the thickness direction is obtained from the Fourier law of heat conduction in the unsteady state. The results obtained from the present FEM are compared with the benchmark examples. Next, the effect of angle of twist, intensity of thermal shock, variable chord and span and volume fraction index on the transient response due to thermal shock obtained from the two homogenization models viz., Voigt and LRVE scheme is investigated. It is shown that there can be a significant difference in the transient response calculated by the two homogenization models for a particular set of material and geometric parameters.

• Transactions of the Korean Society for Noise and Vibration Engineering
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• v.26 no.7
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• pp.851-856
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• 2016

In this paper, the free vibration characteristics of longitudinally corrugated cylindrical shells is investigated by the theoretical analysis. The equivalent homogenization model is adapted to investigate the overall mechanical behavior of these corrugated shells. The corrugated element can be represented as an orthotropic material. Both the effective extensional and flexural stiffness of this equivalent orthotropic material are considered in the analysis. To demonstrate the validity of the proposed theoretical approach, the theoretical results are compared with those from 3D finite element analysis using ANSYS commercial code. Some numerical results are presented to check the effect of the geometric properties.

• Journal of the Korean Society for Precision Engineering
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• v.22 no.2
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• pp.79-88
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• 2005

Evaluating the effective properties of materials containing various types of in-homogeneities is an important issue in the analysis of structures composed of those materials. A simple and effective method for the purpose is to impose the periodic displacement boundary conditions on the finite element model of a unit cell. Their theoretical background is explained based on the purely kinematical relations in the regularly spaced in-homogeneity problems, and the strategies to implement them into the analysis and to evaluate the homogenized material constants are introduced. The creep behavior of a thin sheet with square arrayed rectangular voids is characterized, where the orthotropy is induced by the presence of the voids. The homogenization method is validated through the comparison of the analysis of detailed model with that of the simplified one with the effective parameters.

• Computers and Concrete
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• v.15 no.5
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• pp.735-758
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• 2015

This work deals with unilateral effect of quasi-brittle materials, such as concrete. For this propose, a two-dimensional meso-scale model is presented. The material is considered as a three-phase material consisting of interface zone, matrix and inclusions - each constituent modeled by an appropriate constitutive model. The Representative Volume Element (RVE) consists of inclusions idealized as circular shapes randomly placed into the specimen. The interface zone is modeled by means of cohesive contact finite elements developed here in order to capture the effects of phase debonding and interface crack closure/opening. As an initial approximation, the inclusion is modeled as linear elastic as well as the matrix. Our main goal here is to show a computational homogenization-based approach as an alternative to complex macroscopic constitutive models for the mechanical behavior of the quasi-brittle materials using a finite element procedure within a purely kinematical multi-scale framework. A set of numerical examples, involving the microcracking processes, is provided. It illustrates the performance of the proposed model. In summary, the proposed homogenization-based model is found to be a suitable tool for the identification of macroscopic mechanical behavior of quasi-brittle materials dealing with unilateral effect.

• Journal of the Korean Solar Energy Society
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• v.36 no.3
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• pp.9-16
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• 2016

This paper discusses a refined model for investigating the micro-mechanical behavior of beam-like structures, which are composed of various elastic moduli and complex geometries varying through the cross-section directions and are also periodically-repeated and heterogeneous along the axial direction. Following the previous work (Lee and Yu, 2011), the original three-dimensional static problem is first formulated in a unified and compact form using the concept of decomposition of the rotation tensor. Taking advantage of the smallness of the cross-sectional dimension-to-length parameter and the micro-to-macro heterogeneity, while also performing homogenization along the dimensional reduction simultaneously, the variational asymptotic method is rigorously used to construct a total energy function, which is asymptotically correct up to the second order. Furthermore, through the transformation procedure based on the pure kinematic relations and the linearized equilibrium equations, a generalized Timoshenko model is systematically established. For the purpose of dealing with realistic and complex geometries and constituent materials at the microscopic level, this present approach is incorporated into a commercial analysis package. A few examples available in literature are used to demonstrate the consistency and efficiency of this proposed model, especially for the structures, in which the effects of transverse shear deformations are significant.

• Proceedings of the Korean Society for Rock Mechanics Conference
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• 2000.09a
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• pp.55-61
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• 2000

For proper sampling of a rock and preparation of specimens, the representative elementary volume (REV) should be determined in rock mechanical test and numerical analysis. Mechanical properties of a rock, in general, would be strongly affected by mineral composition. In this reason REV of Youngju granite is determined by using stereoscopic microscope observation and homogenization numerical analysis. As the area of analysis model exceeds approximately 702 $ extrm{mm}^2$(900 elements), the change of the mineral composition is not observed. The calculated results indicate that Young's modulus is fluctuated with increase of the number of elements in homogenization numerical analysis mesh. However, as the number of elements exceeds 1156 (area of about 900 $ extrm{mm}^2$), Young's modulus does not change apparently.