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 >