Fundamental Aspects of Metal Joining - The Study of Strong Interfaces

Abstract

Our aim for 1992 was to investigate whether modern quantum mechanical methods can be useful in the study of interfaces between dissimilar materials, and to complete at least a modest piece of work to demonstrate feasibility. This has been achieved. We developed an approximate quantum mechanical approach to the problem of dissimilar transition-metal interfaces. Because of its approximate nature, we have devoted a large effort to testing the scheme against experiment and first-principles theory. Our expertise in local density functional theory has allowed us to draw upon our first-principles capability both in determining parameters for our model Hamiltonian, and in testing it. We have studied in some detail a lattice-mismatched interface between pure molybdenum and rhenium metals (Section 2). Our conclusions concerning this system are that the shear strength of the interface is diminished from the theoretical strength by a factor of about twenty; the reduction is due to the presence of a misfit dislocation that glides in the interface during deformation.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1992
Accession Number
ADA261293

Entities

People

  • Anthony T. Paxton
  • Mark Van Schilfgaarde

Organizations

  • SRI International

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Advanced Materials
  • Band Structures
  • Band Theory Of Solids
  • Charge Density
  • Crystal Lattices
  • Crystal Structure
  • Crystals
  • Density Functional Theory
  • Dynamics
  • Electron Density
  • Electronics Laboratories
  • Electrons
  • Energy Bands
  • Materials
  • Materials Science
  • Molecular Dynamics
  • Transition Metals

Fields of Study

  • Physics

Readers

  • Materials Science and Engineering.
  • Systems Analysis and Design

Technology Areas

  • Quantum Computing