C.J. Huang¹, T.Y. Hung¹, K.N. Chiang²

CMC-Computers, Materials & Continua, Vol.36, No.2, pp. 99-133, 2013, DOI:10.3970/cmc.2013.036.099

Abstract The development in the field of nanotechnology has prompted numerous researchers to develop various simulation methods for determining the material properties of nanoscale structures. However, these methods are restricted by the speed limitation of the central processing unit (CPU), which cannot estimate larger-scale nanoscale models within an acceptable time. Thus, decreasing the CPU processing time and retaining the estimation accuracy of physical properties of nanoscale structures have become critical issues. Accordingly, this study aims to decrease the CPU processing time and complexity of large nanoscale models by utilizing, atomistic-continuum mechanics (ACM) to build an equivalent model of carbon nanotubes (CNTs).… More >

Lutz Nasdala¹ , Andreas Kempe¹ and Raimund Rolfes¹

CMC-Computers, Materials & Continua, Vol.19, No.1, pp. 57-104, 2010, DOI:10.3970/cmc.2010.019.057

Abstract In order to understand the underlying mechanisms of inelastic material behavior and nonlinear surface interactions, which can be observed on macroscale as damping, softening, fracture, delamination, frictional contact etc., it is necessary to examine the molecular scale. Force fields can be applied to simulate the rearrangement of chemical and physical bonds. However, a simulation of the atomic interactions is very costly so that classical molecular dynamics (MD) is restricted to structures containing a low number of atoms such as carbon nanotubes. The objective of this paper is to show how MD simulations can be integrated into the finite element method… More >

L.L. Zhu^1,2,3, X.J. Zheng^1,2

CMC-Computers, Materials & Continua, Vol.18, No.3, pp. 301-320, 2010, DOI:10.3970/cmc.2010.018.301

Abstract The phonon properties of spatially confined nanofilms under the preexisting stress fields are investigated theoretically by accounting for the confinement effects and acoustoelastic effects. Due to the spatial confinement in low-dimensional structures, the phonon dispersion relations, phonon group velocities as well as the phonon density of states are of significant difference with the ones in bulk structures. Here, the continuum elasticity theory is made use of to determine the phonon dispersion relations of shear modes (SH), dilatational modes (SA) and the flexural modes (AS), thus to analyze the contribution of stress fields on the phonon performance of confined nanofilms. Our… More >

J. Ghanbari¹, R. Naghdabadi^1,2

CMC-Computers, Materials & Continua, Vol.10, No.1, pp. 41-64, 2009, DOI:10.3970/cmc.2009.010.041

Abstract Continuum-based modeling of nanostructures is an efficient and suitable method to study the behavior of these structures when the deformation can be considered homogeneous. This paper is concerned about multiscale nonlinear tensorial constitutive modeling of carbon nanostructures based on the interatomic potentials. The proposed constitutive model is a tensorial equation relating the second Piola-Kirchhoff stress tensor to Green-Lagrange strain tensor. For carbon nanotubes, some modifications are made on the planar representative volume element (RVE) to account for the curved atomic structure resulting a non-planar RVE. Using the proposed constitutive model, the elastic behavior of the graphene sheet and carbon nanotube… More >