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, 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,… More >

Hsien-Chie Cheng¹, Yu-Chen Hsu², Wen-Hwa Chen²

The International Conference on Computational & Experimental Engineering and Sciences, Vol.12, No.2, pp. 73-74, 2009, DOI:10.3970/icces.2009.012.073

Abstract Due to the limitation of fabrication technologies nowadays, initial defects in carbon nanotubes (CNTs) are inevitably perceived particularly during the manufacturing process or chemical treatment. The investigation of the effects of initial defects existing in CNTs on their mechanical properties and fracture behaviors becomes essential for their potentiality in engineering applications.
In this study, the defect effects, including number in percentage, type, and location, are explored using the molecular dynamics (MD) simulation with Tersoff Brenner potential. Results show that the mechanical properties, such as the elastic modulus, failure strength and strain, are strongly affected by the… 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… More >

D. S. Liu¹, C. Y. Tsai¹, S. R. Lyu²

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 147-164, 2009, DOI:10.3970/cmc.2009.011.147

Abstract This study presents a novel numerical method for extracting the tempe -rature-dependent mechanical properties of the gold and aluminum thin-films. In the proposed approach, molecular dynamics (MD) simulations are performed to establish the load-displacement response of the thin substrate nanoindented at temperatures ranging from 300-900 K. A simple but effective procedure involving genetic algorithm (GA) and finite element method (FEM) is implemented to extract the material constants of the gold and aluminum substrates. The material constants are then used to construct the corresponding stress-strain curve, from which the elastic modulus, yield stress and the tangent More >

Hsien-Chie Cheng¹, Yu-Chen Hsu², Wen-Hwa Chen²

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 127-146, 2009, DOI:10.3970/cmc.2009.011.127

Abstract Due to the limitation of fabrication technologies nowadays, structural or atomistic defects are often perceived in carbon nanotubes (CNTs) during the manufacturing process. The main goal of the study aims at providing a systematic investigation of the effects of atomistic defects on the nanomechanical properties and fracture behaviors of single-walled CNTs (SWCNTs) using molecular dynamics (MD) simulation. Furthermore, the correlation between local stress distribution and fracture evolution is studied. Key parameters and factors under investigation include the number, type (namely the vacancy and Stone-Wales defects), location and distribution of defects. Results show that the nanomechanical More >

Yeau-Ren Jeng¹,Ping-Chi Tsai¹,Guo-Zhe Huang¹, I-Ling Chang¹

CMC-Computers, Materials & Continua, Vol.11, No.2, pp. 109-126, 2009, DOI:10.3970/cmc.2009.011.109

Abstract This study performs a series of Molecular Dynamics (MD) and Molecular Statics (MS) simulations to investigate the mechanical properties of single-walled carbon nanotubes (SWCNTs) under a uniaxial tensile strain. The simulations focus specifically on the effects of the nanotube helicity, the nanotube diameter and the percentage of vacancy defects on the bond length, bond angle and tensile strength of zigzag and armchair SWCNTs. In this study, a good agreement is observed between the MD and MS simulation results for the stress-strain response of the SWCNTs in both the elastic and the plastic deformation regimes. The… 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 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 More >

Huanchun Chen¹, Kunigal Shivakumar¹

CMC-Computers, Materials & Continua, Vol.8, No.1, pp. 33-42, 2008, DOI:10.3970/cmc.2008.008.033

Abstract Thermal cycling degradation effect on tensile and flexural properties of Cytec T650 carbon/Lonza Primaset PT-30 cyanate ester composite rods used for gas turbine engine brush seals was evaluated. The composite rods were thermal cycled in air from room temperature to 315°C for 100, 200, 400, 600 and 800 cycles. Each thermal cycle is a one hour period with 28 minutes hold at peak temperature and a high heating/cooling rate of 73°C/min. The composite withstood the first 100 thermal cycles with less than 10% property change. After that, tensile strength and fracture strain as well as More >