Xinyue Liu¹, Yunqiao Liu¹, Xiaobo Gong^1,*, Huaxiong Huang²

CMES-Computer Modeling in Engineering & Sciences, Vol.116, No.2, pp. 281-300, 2018, DOI: 10.31614/cmes.2018.04989

Abstract In this work, a three-dimensional axisymmetric model with nanoparticle, receptor-ligand bonds and cell membrane as a system was used to study the quasi-static receptor-mediated endocytosis process of spherical nanoparticles in drug delivery. The minimization of the system energy function was carried out numerically, and the deformations of nanoparticle, receptor-ligand bonds and cell membrane were predicted. Results show that passive endocytosis may fail due to the rupture of receptor-ligand bonds during the wrapping process, and the size and rigidity of nanoparticles affect the total deformation energy and the terminal wrapping stage. Our results suggest that, in addition to the energy requirement,… More >

MC. Ho Ba Tho¹, PE Mazeran², K El Kirat¹, S.F. Bensamoun¹

CMES-Computer Modeling in Engineering & Sciences, Vol.87, No.6, pp. 557-578, 2012, DOI:10.3970/cmes.2012.087.557

Abstract Mechanical properties of cortical human bone have been investigated for more than four decades. Numerous experimental investigations on bone characterization were performed ; mechanical, vibrational, acoustical testing and morphological, physico-chemical investigations. Due to the techniques, different levels of investigation were performed and subsequently quantitative parameters are concerning different level of structure of bone (organ, tissue,... ). According to our knowledge, few investigations were performed simultaneously on mechanical, morphological and physico-chemical properties of bone. The objectives of the present study were to investigate the influence of multiscale structural characteristics of the bone tissue on its mechanical behavior and to provide some… More >

J.A. García^1,2, J.M. Peña¹, S. McHugh², A. Jérusalem^2,3

CMES-Computer Modeling in Engineering & Sciences, Vol.87, No.5, pp. 411-432, 2012, DOI:10.3970/cmes.2012.087.411

Abstract Neuronal growth is a complex process involving many intra- and extracellular mechanisms which are collaborating conjointly to participate to the development of the nervous system. More particularly, the early neocortical development involves the creation of a multilayered structure constituted by neuronal growth (driven by axonal or dendritic guidance cues) as well as cell migration. The underlying mechanisms of such structural lamination not only implies important biochemical changes at the intracellular level through axonal microtubule (de)polymerization and growth cone advance, but also through the directly dependent stress/stretch coupling mechanisms driving them. Efforts have recently focused on modeling approaches aimed at accounting… More >

Francesca Cosmi¹

CMES-Computer Modeling in Engineering & Sciences, Vol.74, No.3&4, pp. 269-282, 2011, DOI:10.3970/cmes.2011.074.269

Abstract In industrial applications, microstructure inhomogeneities can derive from the manufacturing process and the final mechanical properties of the material depend on the resulting, complex, structural pattern of the constituents. In this paper, Cell Method plane models in the elastic and plastic fields are presented and applied to predict the behaviour of four sintered alloys, where the spatial arrangement of voids within the base material contributes to determine the mechanical behaviour. Unlike the Finite Elements and other methods, the Cell Method is a numerical method based on a direct discrete formulation of equilibrium equations, so that no differential formulation is needed… More >

A.N. Guz¹, J.J.Rushchitsky¹, I.A.Guz²

CMES-Computer Modeling in Engineering & Sciences, Vol.26, No.3, pp. 139-156, 2008, DOI:10.3970/cmes.2008.026.139

Abstract The basic approach is offered for problems of nanocomposites and their mechanical properties, which includes a short review of modern problems in nanomechanics of materials. The fibrous carbon-polymer composites with carbon or graphite microfibers or carbon nanotubes are especially discussed. The basic model of the linear or nonlinear elastically deforming micro- and nanocomposites is considered. Within the framework of this model, the comparative computer modeling is performed. The modeling permits to observe the features in prediction of values of basic mechanical constants. These results are utilized on next step of modeling -- studying the peculiarities of wave propagation in particular… More >

G.I. Giannopoulos¹, S.K. Georgantzinos², D.E. Katsareas², N.K. Anifantis²

CMES-Computer Modeling in Engineering & Sciences, Vol.56, No.3, pp. 231-248, 2010, DOI:10.3970/cmes.2010.056.231

Abstract A hybrid finite element formulation, combining nanoscopic and macroscopic considerations is proposed, for the prediction of the elastic mechanical properties of single walled carbon nanotube (SWCNT)-based composites. The nanotubes are modeled according to the molecular mechanics theory via the use of spring elements, while the matrix is modeled as a continuum medium. A new formulation concerning the load transfer between the nanotubes and matrix is proposed. The interactions between the two phases are implemented by utilizing appropriate stiffness variations describing a heterogeneous interfacial region. A periodic distribution and orientation of the SWCNTs is considered. Thereupon, the nanocomposite is modeled using… More >

Dalin Tang¹, Chun Yang^1,2, Tal Geva^3,4, Glenn Gaudette⁴, and Pedro J. del Nido⁵

CMES-Computer Modeling in Engineering & Sciences, Vol.56, No.2, pp. 113-130, 2010, DOI:10.3970/cmes.2010.056.113

Abstract Right and left ventricle (RV/LV) combination models with three different patch materials (Dacron scaffold, treated pericardium, and contracting myocardium), two-layer construction, fiber orientation, and active anisotropic material properties were introduced to evaluate the effects of patch materials on RV function. A material-stiffening approach was used to model active heart contraction. Cardiac magnetic resonance (CMR) imaging was performed to acquire patient-specific ventricular geometries and cardiac motion from a patient with severe RV dilatation due to pulmonary regurgitation needing RV remodeling and pulmonary valve replacement operation. Computational models were constructed and solved to obtain RV stroke volume, ejection fraction, patch area variations,… More >

D. S. Liu¹, C.Y. Tsai¹

CMES-Computer Modeling in Engineering & Sciences, Vol.39, No.1, pp. 29-48, 2009, DOI:10.3970/cmes.2009.039.029

Abstract Utilizing a thin copper substrate for illustration purposes, this study presents a novel numerical method for extracting the thermo-mechanical properties of a thin-film. In the proposed approach, molecular dynamics (MD) simulations are performed to establish the load-displacement response of a thin copper substrate nanoindented at temperatures ranging from 300~1400 K. The load data are then input to an artificial neural network (ANN), trained using a finite element model (FEM), in order to extract the material constants of the copper substrate. The material constants are then used to construct the corresponding stress-strain curve, from which the elastic modulus and the plastic… More >

Liming Xiong¹, Youping Chen¹

CMES-Computer Modeling in Engineering & Sciences, Vol.24, No.2&3, pp. 203-214, 2008, DOI:10.3970/cmes.2008.024.203

Abstract This paper presents the application of an atomistic field theory (AFT) in modeling and simulation of boron- , boron/nitrogen and silicon/nitrogen-doped nanocrystalline silicon carbide (B-, BN-, SiN-SiC). Intergranular glassy films (IGFs) and nano-sized pores have been obtained in triple junctions of the grains in nanocrystalline SiC (nc-SiC). Residual tensile stress in the SiC grains and compressive stress in the grain boundaries (GBs) are observed. Under uniaxial tension, the constitutive responses of nanocrystalline SiC were reproduced from the simulations. It is found that the mechanical properties of nanocrystalline SiC are strongly dependent on the compositions of GBs. Although there are more… More >

W.H. Chen¹, H.C. Cheng², Y.C. Hsu³

CMES-Computer Modeling in Engineering & Sciences, Vol.20, No.2, pp. 123-146, 2007, DOI:10.3970/cmes.2007.020.123

Abstract The evaluation of the fundamental mechanical properties of single/multi-walled carbon nanotubes(S/MWCNTs) is of great importance for their industrial applications. The present work is thus devoted to the determination of various mechanical properties of S/MWCNTs using molecular dynamics (MD) simulations. The study first focuses on the exploration of the effect of the weak inlayer van der Waals (vdW) atomistic interactions on the mechanical properties of S/MWCNTs. Secondly, in addition to the zig-zag and armchair types of CNTs, the hybrid type of MWCNTs that comprise a zig-zag outer tube and an inner armchair tube is also analyzed. Thirdly, the investigation is extended… More >