Search for: multi-scale-modeling
Total 29 records
Multi-scale modeling of surface effect via the boundary Cauchy-Born method, Article International Journal for Numerical Methods in Engineering ; Volume 85, Issue 7 , August , 2011 , Pages 827-846 ; 00295981 (ISSN) ; Aghaei, A ; Khoei, A. R ; Sharif University of Technology
In this paper, a novel multi-scale approach is developed for modeling of the surface effect in crystalline nano-structures. The technique is based on the Cauchy-Born hypothesis in which the strain energy density of the equivalent continua is calculated by means of inter-atomic potentials. The notion of introducing the surface effect in the finite element method is based on the intrinsic function of quadratures, called as an indicator of material behavior. The information of quadratures is derived by interpolating the data from probable representative atoms in their proximity. The technique is implemented by the definition of reference boundary CB elements, which enable to capture not only...
A concurrent multi-scale technique in modeling heterogeneous FCC nano-crystalline structures, Article Mechanics of Materials ; Volume 83 , April , 2015 , Pages 40-65 ; 01676636 (ISSN) ; Jahanbakhshi, F ; Aramoon, A ; Sharif University of Technology
In this paper, a multi-scale molecular dynamics-finite element coupling is presented to study the mechanical behavior of heterogeneous nano-crystalline structures. The stiffness and mass matrices of the continuum sub-domain are generated by applying a linear transformation on the matrices obtained via the atomic structure underlying the FE mesh. A Lagrange multiplier method is employed to the transition zone imposing velocity resemblance of the coupling regions. The constraint equations of motion are solved by the multi-time-step decomposition thus giving the opportunity to ascribe different time steps to each individual zone. The molecular dynamics is performed by employing the...
Fully coupled hydromechanical multiscale model with microdynamic effects, Article International Journal for Numerical Methods in Engineering ; Volume 115, Issue 3 , 2018 , Pages 293-327 ; 00295981 (ISSN) ; Hajiabadi, M. R ; Sharif University of Technology
John Wiley and Sons Ltd 2018
In this paper, a multiscale finite element framework is developed based on the first-order homogenization method for fully coupled saturated porous media using an extension of the Hill-Mandel theory in the presence of microdynamic effects. The multiscale method is employed for the consolidation problem of a 2-dimensional saturated soil medium generated from the periodic arrangement of circular particles embedded in a square matrix, which is compared with the direct numerical simulation method. The effects of various issues, including the boundary conditions, size effects, particle arrangements, and the integral domain constraints for the microscale boundary value problem, are numerically...
Study the effect of viscoelastic matrix model on the stability of CNT/polymer composites by multiscale modeling, Article Polymer Composites ; Volume 30, Issue 11 , 2009 , Pages 1545-1551 ; 02728397 (ISSN) ; Naghdabadi, R ; Sharif University of Technology
In this article, a Molecular Structural Mechanics/Finite Element (MSM/FE) multiscale modeling of carbon nanotube/polymer composites with viscoelastic (VE) polymer matrix is introduced. The nanotube is modeled at the atomistic scale using structural molecular mechanics. The matrix deformation is analyzed by nonlinear finite element method considering VE behavior. The nanotube and matrix are assumed to be bonded by van der Waals interactions based on the Lennard-Jones potential at the interface. Using the MSM/FE multiscale model, we investigate the effect of carbon nanotube (CNT) on the improvement of mechanical stability of the nanocomposite. Also, the buckling behavior of these...
Stability and size-dependency of cauchy-born hypothesis in three-dimensional applications, Article International Journal of Solids and Structures ; Volume 46, Issue 9 , 2009 , Pages 1925-1936 ; 00207683 (ISSN) ; Abdolhosseini Qomi, M. J ; Kazemi, M. T ; Khoei, A. R ; Sharif University of Technology
The Cauchy-Born hypothesis (CB) provides a hierarchical approach in the molecular theory of crystal elasticity to relate the continuum and atomic deformations. This kinematic theory has been extensively used as the constitutive law of continuum regions in multi-scale models. In these models, the fine scale is proposed to describe the real behavior of crystalline structure wherever the continuum description fails. The main objective of this article is to investigate the stability and size-dependency of CB hypothesis in three-dimensional applications by direct comparison of information between atomistic and continuous description of a medium. The Sutton-Chen many-body potential is used for the...
New hybrid finite volume-thermal lattice Boltzmann method, based on multi relaxation time collision operator, Article International Journal of Heat and Mass Transfer ; Volume 138 , 2019 , Pages 1281-1294 ; 00179310 (ISSN) ; Alizadeh Seresht, E ; Taeibi Rahni, M ; Sharif University of Technology
Elsevier Ltd 2019
Hybrid FVM-LBM schemes are developed in the past few years to use capabilities of both Navier-Stokes based finite volume method (FVM) and lattice Boltzmann method (LBM) to solve macro-meso multiscale problems. In this scheme, the major task is to develop some lifting relations that reconstruct distribution functions in LBM sub-domain from macroscopic variables and their derivatives. The macroscopic variables are computed using Navier-Stokes based FVM in macroscale sub-domain, while distribution functions are computed using LBM in mesoscale sub-domain. The pioneer works in this area used the single relaxation time (SRT) version of LBM. However, it is known that the numerical stability and...
Chemo-mechanistic multi-scale model of a three-dimensional tumor microenvironment to quantify the chemotherapy response of cancer, Article Biotechnology and Bioengineering ; Volume 118, Issue 10 , 2021 , Pages 3871-3887 ; 00063592 (ISSN) ; Firoozabadi, B ; Mozafari, A ; Sharif University of Technology
John Wiley and Sons Inc 2021
Exploring efficient chemotherapy would benefit from a deeper understanding of the tumor microenvironment (TME) and its role in tumor progression. As in vivo experimental methods are unable to isolate or control individual factors of the TME, and in vitro models often cannot include all the contributing factors, some questions are best addressed with mathematical models of systems biology. In this study, we establish a multi-scale mathematical model of the TME to simulate three-dimensional tumor growth and angiogenesis and then implement the model for an array of chemotherapy approaches to elucidate the effect of TME conditions and drug scheduling on controlling tumor progression. The...
Investigation of the interphase effects on the mechanical behavior of carbon nanotube polymer composites by multiscale modeling, Article Journal of Applied Polymer Science ; Volume 117, Issue 1 , March , 2010 , Pages 361-367 ; 00218995 (ISSN) ; Naghdabadi, R ; Sharif University of Technology
In this article, a multiscale modeling procedure is implemented to study the effect of interphase on the Young's modulus of CNT/polymer composites. For this purpose, a three-phase RVE is introduced which consists of three components, i.e., a carbon nanotube, an interphase layer, and an outer polymer matrix. The nanotube is modeled at the atomistic scale using molecular structural mechanics. Moreover, three-dimensional elements are employed to model the interphase layer and polymer matrix. The nanotube and polymer matrix are assumed to be bonded by van der Waals interactions based on the Lennard-Jones potential at the interface. Using this Molecular Structural Mechanics/Finite Element...
Nonlinear hierarchical multiscale modeling of cortical bone considering its nanoscale microstructure, Article Journal of Biomechanics ; Volume 42, Issue 10 , 2009 , Pages 1560-1565 ; 00219290 (ISSN) ; Naghdabadi, R ; Sharif University of Technology
We have used a hierarchical multiscale modeling scheme for the analysis of cortical bone considering it as a nanocomposite. This scheme consists of definition of two boundary value problems, one for macroscale, and another for microscale. The coupling between these scales is done by using the homogenization technique. At every material point in which the constitutive model is needed, a microscale boundary value problem is defined using a macroscopic kinematical quantity and solved. Using the described scheme, we have studied elastic properties of cortical bone considering its nanoscale microstructural constituents with various mineral volume fractions. Since the microstructure of bone...