The prediction of the mechanical stiffness of the silicon based crystalline/amorphous nano-structures using molecular dynamic (MD) simulation

CA Yuan, O van der Sluis, GQ Zhang, LJ Ernst, WD van Driel, RBR van Silfhout

Research output: Chapter in Book/Conference proceedings/Edited volumeConference contributionScientificpeer-review


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.
Original languageUndefined/Unknown
Title of host publicationNanoTech 2007
EditorsM Laudon
Place of PublicationSanta Clara, CA, USA
Number of pages4
ISBN (Print)1-4200-6349-9
Publication statusPublished - 2007
EventNanoTech 2007 - Santa Clara, CA, USA
Duration: 20 May 200724 May 2007

Publication series



ConferenceNanoTech 2007


  • conference contrib. refereed
  • Conf.proc. > 3 pag

Cite this