Marcin Maździarz¹, Marcin Gajewski²

CMES-Computer Modeling in Engineering & Sciences, Vol.105, No.2, pp. 123-150, 2015, DOI:10.3970/cmes.2015.105.123

Abstract In this paper, the choice and parametrisation of finite deformation polyconvex isotropic hyperelastic models to describe the behaviour of a class of defect-free monocrystalline metal materials at the molecular level is examined. The article discusses some physical, mathematical and numerical demands which in our opinion should be fulfilled by elasticity models to be useful. A set of molecular numerical tests for aluminium and tungsten providing data for the fitting of a hyperelastic model was performed, and an algorithm for parametrisation is discussed. The proposed models with optimised parameters are superior to those used in non-linear mechanics of crystals. More >

Taha Sochi¹

CMES-Computer Modeling in Engineering & Sciences, Vol.99, No.2, pp. 151-168, 2014, DOI:10.3970/cmes.2014.099.151

Abstract In this paper, a pore-scale network modeling method, based on the flow continuity residual in conjunction with a Newton-Raphson non-linear iterative solving technique, is proposed and used to obtain the pressure and flow fields in a network of interconnected distensible ducts representing, for instance, blood vasculature or deformable porous media. A previously derived analytical expression correlating boundary pressures to volumetric flow rate in compliant tubes for a pressure-area constitutive elastic relation has been used to represent the underlying flow model. Comparison to a preceding equivalent method, the one-dimensional Navier-Stokes finite element, was made and the results were analyzed. The advantages… More >

Yasunori Yusa¹, Shinobu Yoshimura¹

CMES-Computer Modeling in Engineering & Sciences, Vol.99, No.1, pp. 87-104, 2014, DOI:10.3970/cmes.2014.099.087

Abstract To speed up the elastic–plastic analysis of a large-scale model with a crack in which plasticity is observed near the crack, the partitioned coupling method is applied. In this method, the entire analysis model is decomposed into two non-overlapped domains (i.e., global and local domains), and the two domains are analyzed with an iterative method. The cracked local domain is modeled as an elastic–plastic body, whereas the large-scale global domain is modeled as an elastic body. A subcycling technique is utilized for incremental analysis to reduce the number of global elastic analyses. For a benchmark problem with 6 million degrees… More >

V.B.Shim ¹, K. Mithraratne ¹

CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.3, pp. 279-294, 2014, DOI:10.32604/cmes.2014.098.279

Abstract The activation of NF-kB is an important precursor in developing melanoma. However the role of mechanical stimulation in the NF-kB activation has not been studied. We used a multiscale computational modeling approach to investigate the role of mechanical stimulation and the skin tissue internal structures in the activation of NF-kB. Our model is made up of three levels – 1) the macro level where a FE model of the Zygomaticus major muscle was developed; 2) the meso level where a micro FE model of the skin block using a sample from human cadaver was developed; 3) the cell level where… More >

S.M. Pradhan¹, K.S.Katti¹, D.R. Katti¹

CMES-Computer Modeling in Engineering & Sciences, Vol.98, No.2, pp. 181-201, 2014, DOI:10.3970/cmes.2014.098.181

Abstract Multiscale modeling of collagen fibril is carried out by incorporating the material properties of collagen obtained from steered molecular dynamics into the finite element model of collagen fibril with inclusion of crosslinks. The results indicate that the nonbonded interactions between collagen and mineral contribute to the significant enhancement of the elastic modulus of collagen fibril at all the crosslink densities in both the low strain and high strain regimes. The crosslinks are found to play an important role in the mechanical response of collagen fibril, the enhancement in elastic modulus ranging from 5-11% for various crosslink densities compared to the… More >

S. Liu¹, X. Liu², X. F. Guan³, P.F. He¹, Y. Yuan²

CMES-Computer Modeling in Engineering & Sciences, Vol.92, No.2, pp. 173-191, 2013, DOI:10.3970/cmes.2013.092.173

Abstract Early performance of mass concrete structures is very sensitive to the thermal expansion characteristics of concrete. As a kind of multi-phase composite, concrete has different material composition and microscopic configuration in different scales. Its thermal expansion coefficient (CTE) depends not only on the physical and mechanical properties of the constituents, but also on their distribution. What’s more, CTE is also time-dependent with the procedure of hydration. This research proposes a stochastic multi-scale model for analyzing CTE of concrete. In the developed model, concrete macro-scale is divided into three different levels: cement paste scale, mortar scale and concrete meso-scale; a specific… More >

F. Maceri¹, M. Marino¹, G. Vairo¹

CMES-Computer Modeling in Engineering & Sciences, Vol.87, No.5, pp. 461-482, 2012, DOI:10.3970/cmes.2012.087.461

Abstract The mechanical behavior of biopolymer mo -le -cu -les is herein addressed and a novel predictive model for their elasto-damage response is proposed. Both entropic and energetic elastic mechanisms are accounted for, and coupled by consistent equilibrium conditions. Moreover, through non-smooth mechanics arguments, molecular damage is modeled accounting for failure due to both mechanical and non-mechanical damage sources. The model is applied to collagen molecules and an excellent agreement with available experimental tests and atomistic computations is shown. The proposed predictive theory can be usefully integrated in hierarchical models of biological structures towards a multiscale continuum approach. More >

H.K. Mebatsion¹, P. Verboven¹, Q. T. Ho¹, F. Mendoza¹, B. E. Verlinden², T. A. Nguyen¹, B. M. Nicolaï^1,2

CMES-Computer Modeling in Engineering & Sciences, Vol.14, No.1, pp. 1-14, 2006, DOI:10.3970/cmes.2006.014.001

Abstract Modeling plant microstructure is of great interest to food engineers to study and explain material properties related to mass transfer and mechanical deformation. In this paper, a novel ellipse tessellation algorithm to generate a 2D geometrical model of apple tissue is presented. Ellipses were used to quantify the orientation and aspect ratio of cells on a microscopic image. The cell areas and centroids of each cell were also determined by means of a numerical procedure. These characteristic quantities were then described by means of probability density functions. The model tissue geometry was generated from the ellipses, which were truncated when… More >

T. Hasebe¹

CMES-Computer Modeling in Engineering & Sciences, Vol.11, No.3, pp. 145-156, 2006, DOI:10.3970/cmes.2006.011.145

Abstract This paper presents recent achievements in field theoretical approach toward substantial linkage among key hieratical scales dominating polycrystalline plasticity of metals and alloys. Major ingredients of the theory are briefly shown first, which is followed by several overwhelming results and some implications including key factors for dislocation cell structure evolution, key features of polycrystalline plasticity and their rational modeling in crystal plasticity-based constitutive equation. More >

Leonid V. Zhigilei¹, Avinash M. Dongare¹

CMES-Computer Modeling in Engineering & Sciences, Vol.3, No.5, pp. 539-556, 2002, DOI:10.3970/cmes.2002.003.539

Abstract Computational modeling has a potential of making an important contribution to the advancement of laser-driven methods in nanotechnology. In this paper we discuss two computational schemes developed for simulation of laser coupling to organic materials and metals and present a multiscale model for laser ablation and cluster deposition of nanostructured materials. In the multiscale model the initial stage of laser ablation is reproduced by the classical molecular dynamics (MD) method. For organic materials, the breathing sphere model is used to simulate the primary laser excitations and the vibrational relaxation of excited molecules. For metals, the two temperature model coupled to… More >