• Composites Research
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• v.36 no.5
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• pp.329-334
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• 2023

The classical multiscale finite element (FE² ) method involves iterative calculations of micro-boundary value problems for representative volume elements at every integration point in macro scale, making it a computationally time and data storage space. To overcome this, we developed the data-driven multiscale analysis method based on the mean-field homogenization (MFH). Data-driven computational mechanics (DDCM) analysis is a model-free approach that directly utilizes strain-stress datasets. For performing multiscale analysis, we efficiently construct a strain-stress database for the microstructure of composite materials using mean-field homogenization and conduct data-driven computational mechanics simulations based on this database. In this paper, we apply the developed multiscale analysis framework to an example, confirming the results of data-driven computational mechanics simulations considering the microstructure of a hyperelastic composite material. Therefore, the application of data-driven computational mechanics approach in multiscale analysis can be applied to various materials and structures, opening up new possibilities for multiscale analysis research and applications.

• Interaction and multiscale mechanics
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• v.3 no.3
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• pp.213-234
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• 2010

A multiscale method is presented for analysis of thin slab structures in which the microstructures can not be reduced to two-dimensional plane stress models and thus three dimensional treatment of microstructures is necessary. This method is based on the classical asymptotic expansion multiscale approach but with consideration of the special geometric characteristics of the slab structures. This is achieved via a special form of multiscale asymptotic expansion of displacement field. The expanded three dimensional displacement field only exhibits in-plane periodicity and the thickness dimension is in the global scale. Consequently by employing the multiscale asymptotic expansion approach the global macroscopic structural problem and the local microscopic unit cell problem are rationally set up. It is noted that the unit cell is subjected to the in-plane periodic boundary conditions as well as the traction free conditions on the out of plane surfaces of the unit cell. The variational formulation and finite element implementation of the unit cell problem are discussed in details. Thereafter the in-plane material response is systematically characterized via homogenization analysis of the proposed special unit cell problem for different microstructures and the reasoning of the present method is justified. Moreover the present multiscale analysis procedure is illustrated through a plane stress beam example.

• Journal of the Computational Structural Engineering Institute of Korea
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• v.25 no.4
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• pp.315-321
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• 2012

In this study, a sequential multiscale homogenization method to characterize the effective thermal conductivity of nano particulate polymer nanocomposites is proposed through a molecular dynamics(MD) simulations and a finite element-based homogenization method. The thermal conductivity of the nanocomposites embedding different-sized nanoparticles at a fixed volume fraction of 5.8% are obtained from MD simulations. Due to the Kapitza thermal resistance, the thermal conductivity of the nanocomposites decreases as the size of the embedded nanoparticle decreases. In order to describe the nanoparticle size effect using the homogenization method with accuracy, the Kapitza interface in which the temperature discontinuity condition appears and the effective interphase zone formed by highly densified matrix polymer are modeled as independent phases that constitutes the nanocomposites microstructure, thus, the overall nanocomposites domain is modeled as a four-phase structure consists of the nanoparticle, Kapitza interface, effective interphase, and polymer matrix. The thermal conductivity of the effective interphase is inversely predicted from the thermal conductivity of the nanocomposites through the multiscale homogenization method, then, exponentially fitted to a function of the particle radius. Using the multiscale homogenization method, the thermal conductivities of the nanocomposites at various particle radii and volume fractions are obtained, and parametric studies are conducted to examine the effect of the effective interphase on the overall thermal conductivity of the nanocomposites.

• Journal of the Korean Society for Industrial and Applied Mathematics
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• v.24 no.2
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• pp.215-227
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• 2020

A new multiscale finite element method for elliptic problems with highly oscillating coefficients are introduced. A hybridization yields a locally flux-conserving numerical scheme for multiscale problems. Our approach naturally induces a homogenized equation which facilitates error analysis. Complete convergence analysis is given and numerical examples are presented to validate our analysis.

• Interaction and multiscale mechanics
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• v.5 no.1
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• pp.27-40
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• 2012

The two-dimensional incompressible flow of a linear viscoelastic fluid we considered in this research has rapidly oscillating initial conditions which contain both the large scale and small scale information. In order to grasp this double-scale phenomenon of the complex flow, a multiscale analysis method is developed based on the mathematical homogenization theory. For the incompressible flow of a linear viscoelastic Maxwell fluid, a well-posed multiscale system, including averaged equations and cell problems, is derived by employing the appropriate multiple scale asymptotic expansions to approximate the velocity, pressure and stress fields. And then, this multiscale system is solved numerically using the pseudospectral algorithm based on a time-splitting semi-implicit influence matrix method. The comparisons between the multiscale solutions and the direct numerical simulations demonstrate that the multiscale model not only captures large scale features accurately, but also reflects kinetic interactions between the large and small scale of the incompressible flow of a linear viscoelastic fluid.

• Computers and Concrete
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• v.33 no.3
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• pp.325-340
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• 2024

The growing demands for sustainable and high-performance construction materials necessitate a deep understanding of their physicochemical properties by that of these heterogeneities. This paper presents a comprehensive review of the state-of-the-art hierarchical multiscale modeling approach aimed at predicting the intricate physicochemical characteristics of construction materials. Emphasizing the heterogeneity inherent in these materials, the review briefly introduces single-scale analyses, including the ab initio method, molecular dynamics, and micromechanics, through a scale-bridging technique. Herein, the limitations of these models are also overviewed by that of effectively scale-bridging methods of length or time scales. The hierarchical multiscale model demonstrates these physicochemical properties considering chemical reactions, material defects from nano to macro scale, microscopic properties, and their influence on macroscopic events. Thereby, hierarchical multiscale modeling can facilitate the efficient design and development of next-generation construction.

• Interaction and multiscale mechanics
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• v.4 no.2
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• pp.107-122
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• 2011

Mechanical behavior in nano-sized structures differs from those in macro sized structures due to surface effect. As the ratio of surface to volume increases, surface effect is not negligible and causes size-dependent mechanical behavior. In order to identify this size effect, atomistic simulations are required; however, it has many limitations because too much computational resource and time are needed. To overcome the restrictions of the atomistic simulations and graft the well-established continuum theories, the continuum model considering surface effect, which is based on the bridging technique between atomistic and continuum simulations, is introduced. Because it reflects the size effect, it is possible to carry out a variety of analysis which is intractable in the atomistic simulations. As a part of the application examples, the homogenization method is applied to micro/nano thin films with porosity and the homogenized elastic coefficients of the nano scale thickness porous films are computed in this paper.

• 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.

• Computers and Concrete
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• v.8 no.5
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• pp.525-539
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• 2011

This paper describes the development of a fiber reinforced concrete (FRC) unit cell for analyzing concrete structures by executing a multiscale analysis procedure using the theory of homogenization. This was achieved through solving a periodic unit cell problem of the material in order to evaluate its macroscopic properties. Our research describes the creation of an FRC unit cell through the use of concrete paste generic information e.g. the percentage of aggregates, their distribution, and the percentage of fibers in the concrete. The algorithm presented manipulates the percentage and distribution of these aggregates along with fiber weight to create a finite element unit cell model of the FRC which can be used in a multiscale analysis of concrete structures.

• 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.