The Importance of Intermediate Range Order in Silicates: Molecular Dynamics Simulation Studies

Jürgen Horbach, Anke Winkler, Walter Kob and Kurt Binder
Additional contact information
Jürgen Horbach: Johannes Gutenberg-Universität, Institut für Physik
Anke Winkler: Johannes Gutenberg-Universität, Institut für Physik
Walter Kob: Université Montpellier II, Laboratoire des Verres
Kurt Binder: Johannes Gutenberg-Universität, Institut für Physik

A chapter in High Performance Computing in Science and Engineering ’02, 2003, pp 109-121 from Springer

Abstract: Abstract We present the results of large scale computer simulations in which we investigate the structural and dynamic properties of silicate melts with the compositions (Na2O)2(SiO2) and (Al2O3)2(Si02). In order to treat such systems on a time scale of several nanoseconds and for system sizes of several thousand atoms it is necessary to use parallel supercomputers like the CRAY T3E. We show that the silicates under consideration exhibit additional intermediate range order as compared to silica (SiO2) where the characteristic intermediate length scales stem from the tetrahedral network structure. For the sodium silicate system it is demonstrated that the latter structural features are intimately connected with a surprising dynamics in which the one-particle motion of the sodium ions appears on a much smaller time scale than the correlations between different sodium ions.

Keywords: Aluminium Atom; Sodium Atom; Static Structure Factor; Swiss Cheese; Molecular Dynamics Simulation Study (search for similar items in EconPapers)
Date: 2003
References: Add references at CitEc
Citations:

There are no downloads for this item, see the EconPapers FAQ for hints about obtaining it.

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-59354-3_9

Ordering information: This item can be ordered from
http://www.springer.com/9783642593543

DOI: 10.1007/978-3-642-59354-3_9

Access Statistics for this chapter

More chapters in Springer Books from Springer
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().