Molecular Orbitals and the Atomistics of Fracture.

Abstract

If a metal contains very few inpurities and is mechanically tested in an inert environment, its fracture mode will be either transgranular cleavage or transgranular ductile microvoid coalescence. If, however, the metal is of commercial purity, the brittle fracture mode can switch from ceavage to intergranular separation. This transition is undesirable because intergranular fracture is generally a very low energy process. The occurence of intergranular fracture in a specific situation will depend on a number of metallurgical variables: grain size, yield strength, test temperature, and notch radius. However, in all reported cases, one observation is common. Impurities which have a very low solubility in the bulk have segregated to the grain boundaries and weakened them. The bulk concentration of these impurities need only be several hundred ppm for grain boundary concentrations of 5-10 atomic percent to be observed. Examples of this impurity induced weakening of grain boundaries include sulfur in iron and nickel, phosphorus, tin, and antimony in steel, bismuth in copper, and oxygen in refractory metals. If the environment is not inert, intergranular separation may occur even though the fracture mode in an inert environment would be transgranular. One much studied example of this is hydrogen embrittlement.

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Document Details

Document Type
Technical Report
Publication Date
Feb 10, 1982
Accession Number
ADA111398

Entities

People

  • C. L. Briant
  • K. H. Johnson
  • M. E. Eberhardt
  • R. P. Messmer

Organizations

  • University of Pennsylvania

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Atoms
  • Crystal Structure
  • Electron Density
  • Electrons
  • Energy
  • Energy Levels
  • Grain Boundaries
  • Heat Of Activation
  • Hydrogen Embrittlement
  • Materials
  • Materials Science
  • Mechanical Properties
  • Metals
  • Molecular Orbital Theory
  • Phase Transformations
  • Transition Metals
  • Transitions

Readers

  • Materials Science (Mechanical Engineering).
  • Materials Science and Engineering.
  • Surface Engineering/Surface Coating Technology.

Technology Areas

  • Space