Advances in the atomistic modeling of nanomaterials

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Scopus citations

Abstract

The properties of nanomaterials are of considerable interest for a variety of new and existing applications. One class of nanomaterials of particular interest for aviation and space exploration is nanocomposites because of their low weight and good mechanical properties. Nanocomposites include materials made with nanometer-scale fibers and particles mixed into polymeric, metallic, or ceramic matrices. Computational methods have played an important role in predicting how the interactions among nanocomposite components influence their properties and guiding experimental efforts to optimize their properties. Here, recent advancements in the capabilities of the many-body, reactive-empirical- bond-order class of potentials for use in atomistic, molecular dynamics simulations are reviewed. In addition, the application of these potentials to examining the chemical modification of nanocomposites and their components through ion-beam deposition is discussed.

Original languageEnglish (US)
Title of host publication2007 SAMPE Fall Technical Conference and Exhibition - From Art to Science: Advancing Materials and Process Engineering
StatePublished - 2007
Event39th International SAMPE Technical Conference - From Art to Science: Advancing Materials and Process Engineering - Cincinnati, OH, United States
Duration: Oct 29 2007Nov 1 2007

Other

Other39th International SAMPE Technical Conference - From Art to Science: Advancing Materials and Process Engineering
CountryUnited States
CityCincinnati, OH
Period10/29/0711/1/07

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Science(all)

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