Title :
A combined atomistic/continuum analysis of nanoelectromechanical systems
Author :
Tang, Zhi ; Aluru, N.R.
Author_Institution :
Beckman Inst. for Adv. Sci. & Technol., Illinois Univ., Urbana, IL, USA
Abstract :
A multiscale method combining atomistic and continuum regions is presented to predict the static response of Nanoelectromechanical (NEM) switches. The atomistic and continuum regions are combined by using a Schwartz technique with either overlapped subdomains and Dirichlet-Dirichlet type boundary conditions, or non-overlapped subdomains and Dirichlet-Neumann type boundary conditions. The continuum regions are treated by nonlinear elastic theories and the atomistic regions are treated by the molecular dynamics (MD) method. The accuracy of the multiscale approach is checked. by comparing results obtained with the MD technique for the entire device or geometry. Finally, the convergence behavior of the multiscale approach is investigated in detail.
Keywords :
continuum mechanics; elasticity; elemental semiconductors; molecular dynamics method; nanotube devices; silicon; switches; C; Dirichlet-Dirichlet type boundary conditions; Dirichlet-Neumann type boundary conditions; Schwartz technique; Si; atomistic/continuum analysis; convergence properties; molecular dynamics method; multiscale method; nanoelectromechanical switches; nanoelectromechanical systems; nonlinear elastic theories; nonoverlapped subdomains; overlapped subdomains; static response; Bonding; Boundary conditions; Carbon nanotubes; Computational modeling; Convergence; Geometry; Nanoelectromechanical systems; Nonlinear equations; Stress; Switches;
Conference_Titel :
Nanotechnology, 2003. IEEE-NANO 2003. 2003 Third IEEE Conference on
Print_ISBN :
0-7803-7976-4
DOI :
10.1109/NANO.2003.1231748