Atomistic Simulation of Materials

Beyond Pair Potentials

Editors: Srolovitz, David J., Vitek, V. (Eds.)

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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.

Table of contents (46 chapters)

  • Total Energy and Force Calculations with the LMTO Method

    Andersen, O. K. (et al.)

    Pages 1-13

  • Concentration Dependent Effective Cluster Interactions in Substitutional Alloys

    Gonis, A. (et al.)

    Pages 15-28

  • Simulation of Isovalent Impurities in Magnesium Oxide Using Hartree-Fock Clusters

    Zuo, Jun (et al.)

    Pages 29-31

  • Defect Abundances and Diffusion Mechanisms in Diamond, SiC, Si and Ge

    Bernholc, J. (et al.)

    Pages 33-39

  • A Computational Metallurgical Approach to the Electronic Properties and Structural Stability of Intermetallic Compounds

    Freeman, A. J. (et al.)

    Pages 41-54

Buy this book

eBook $84.99
price for USA in USD (gross)
  • ISBN 978-1-4684-5703-2
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover $109.00
price for USA in USD
  • ISBN 978-1-4684-5705-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Atomistic Simulation of Materials
Book Subtitle
Beyond Pair Potentials
Editors
  • David J. Srolovitz
  • V. Vitek
Copyright
1989
Publisher
Springer US
Copyright Holder
Plenum Press, New York
eBook ISBN
978-1-4684-5703-2
DOI
10.1007/978-1-4684-5703-2
Softcover ISBN
978-1-4684-5705-6
Edition Number
1
Number of Pages
480
Topics