The mechanical stiffness of the silica nano-structures, including the crystalline silicon and amorphous silica, is studied using the molecular dynamics (MD) method. The MD simulation procedure is based on the linear-elastic theory, and the stiffness parameter can be acquired by the reaction forces of the sample. Moreover, we also propose a molecular structure generation algorithm for the amorphous silica, which is a low-dielectric material (SiOC:H). In the simulation of crystalline silicon, the results show good approach to the experimental results and the size effect of the nano-structures was captured. Moreover, the simulation of amorphous silica, the trends which are indicated by the simulation results exhibit good agreements with the ones by the experiment.
Keywords: molecular dynamics, atomistic modeling, mechanical stiffness, amorphous material.
|Title of host publication||NanoTech 2007|
|Place of Publication||Santa Clara, CA, USA|
|Number of pages||4|
|Publication status||Published - 2007|
|Event||NanoTech 2007 - Santa Clara, CA, USA|
Duration: 20 May 2007 → 24 May 2007
|Period||20/05/07 → 24/05/07|
- conference contrib. refereed
- Conf.proc. > 3 pag