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Simulation of Atomic and Molecular Processes at Solid Surfaces

  • Madhu Menon
  • Roland E. Allen

Abstract

As the papers of this conference make clear, there are many approaches to the calculation of total energies and atomic forces. During the past four years, we have developed a technique that is particularly useful for computer simulations of atomic motion and chemical reactions at solid surfaces [1–18]. The long-range goal of such simulations is microscopic understanding of complex processes like interfacial growth and catalysis. A feasible short-range goal is to study the more specific atomic processes that occur when an atom, molecule, or cluster interacts with a solid surface.

Keywords

Final Position Surface Atom Bridge Site Stable Site Small Atom 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1989

Authors and Affiliations

  • Madhu Menon
    • 1
  • Roland E. Allen
    • 1
  1. 1.Center for Theoretical Physics, Department of PhysicsTexas A&M UniversityCollege StationUSA

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