Atomistic Simulation of Materials

Beyond Pair Potentials

  • Vaclav Vitek
  • David J. Srolovitz

Table of contents

  1. Front Matter
    Pages i-ix
  2. O. K. Andersen, M. Methfessel, C. O. Rodriguez, P. Blöchl, H. M. Polatoglou
    Pages 1-13
  3. A. Gonis, P. E. A. Turchi, X.-G. Zhang, G. M. Stocks, D. M. Nicholson, W. H. Butler
    Pages 15-28
  4. Jun Zuo, Ravindra Pandey, Albert Barry Kunz
    Pages 29-31
  5. J. Bernholc, A. Antonelli, C. Wang, R. F. Davis, S. T. Pantelides
    Pages 33-39
  6. Mark R. Pederson, Michael J. Mehl, Barry M. Klein, Joseph G. Harrison
    Pages 79-85
  7. W. Andreoni, P. Ballone, R. Car, M. Parrinello
    Pages 87-93
  8. E. J. Mele, M. H. Kang, I. A. Morrison
    Pages 115-123
  9. Andrew C. Redfield, Andrew Zangwill
    Pages 153-157
  10. Giulia Galli, Richard M. Martin, Roberto Car, Michele Parrinello
    Pages 159-165
  11. C. R. A. Catlow, R. A. Jackson, B. Vessal
    Pages 167-180

About this book


This book contains proceedings of an international symposium on Atomistic th Simulation of Materials: Beyond Pair Potentials which was held in Chicago from the 25 th to 30 of September 1988, in conjunction with the ASM World Materials Congress. This symposium was financially supported by the Energy Conversion and Utilization Technology Program of the U. S Department of Energy and by the Air Force Office of Scientific Research. A total of fifty four talks were presented of which twenty one were invited. Atomistic simulations are now common in materials research. Such simulations are currently used to determine the structural and thermodynamic properties of crystalline solids, glasses and liquids. They are of particular importance in studies of crystal defects, interfaces and surfaces since their structures and behavior playa dominant role in most materials properties. The utility of atomistic simulations lies in their ability to provide information on those length scales where continuum theory breaks down and instead complex many body problems have to be solved to understand atomic level structures and processes.


crystal defects energy energy conversion glass iron material materials materials properties metals semiconductors simulation solid surface surfaces

Editors and affiliations

  • Vaclav Vitek
    • 1
  • David J. Srolovitz
    • 2
  1. 1.University of PennsylvaniaPhiladelphiaUSA
  2. 2.The University of MichiganAnn ArborUSA

Bibliographic information

  • DOI
  • Copyright Information Springer-Verlag US 1989
  • Publisher Name Springer, Boston, MA
  • eBook Packages Springer Book Archive
  • Print ISBN 978-1-4684-5705-6
  • Online ISBN 978-1-4684-5703-2
  • About this book