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
  12. G. J. Ackland, V. Vitek
    Pages 193-202
  13. Masaaki Igarashi, M. Khantha, V. Vitek
    Pages 203-209
  14. Ralph J. Harrison, Arthur F. Voter, Shao-Ping Chen
    Pages 219-222
  15. A. F. Voter, S. P. Chen, R. C. Albert, A. M. Boring, P. J. Hay
    Pages 223-231
  16. Dirk J. Oh, Robert A. Johnson
    Pages 233-238
  17. Adrian P. Sutton
    Pages 265-278
  18. John R. Smith, Tom Perry, Amitava Banerjea
    Pages 279-294
  19. D. G. Pettifor, A. J. Skinner, R. A. Davies
    Pages 317-326
  20. M. W. Finnis
    Pages 369-380
  21. M. H. Yoo, M. S. Daw, M. I. Baskes
    Pages 401-410
  22. Stephan Kohlhoff, Siegfried Schmauder
    Pages 411-418
  23. J. B. Adams, S. M. Foiles, W. G. Wolfer
    Pages 419-424
  24. Madhu Menon, Roland E. Allen
    Pages 425-442
  25. Back Matter
    Pages 467-469

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