Relationships between grain boundary structure and energy

Journal Article · Thu May 01 00:00:00 EDT 1986 · Acta Metall.; (United States)

OSTI ID:6911393

Wang, G J; Vitek, V

The Read-Shockley equation describing the dependence of grain boundary energy on misorientation of grains has been reformulated using the recently developed structural unit model of the atomic structure of grain boundaries so that it is applicable to general high angle boundaries. The boundary energy then consists of the energy of a reference structure, and of the core and elastic energies of the corresponding DSC dislocations. While the latter part of the boundary energy is determined using the elastic theory of dislocations the former two parts are determined on the basis of atomistics of grain boundaries employing the structural unit model. In the framework of this analysis the minimum number of reference structures in a give misorientation range as well as the extent of misorientations related to a given reference structure are determined. The positions of cusps in the energy vs misorientation dependence and their relative depths and extent are also determined. The validity of this model is demonstrated for tilt boundaries studied by atomistic computer simulations.

• Research Organization: The Central Iron and Steel Research Institute, Beijing (CN)
• OSTI ID: 6911393
• Journal Information: Acta Metall.; (United States), Journal Name: Acta Metall.; (United States) Vol. 34:5; ISSN AMETA
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360102* -- Metals & Alloys-- Structure & Phase Studies
99 GENERAL AND MISCELLANEOUS
990220 -- Computers
Computerized Models
& Computer Programs-- (1987-1989)
COMPUTERIZED SIMULATION
CRYSTAL DEFECTS
CRYSTAL STRUCTURE
DISLOCATIONS
ELASTICITY
ELEMENTS
ENERGY
GRAIN BOUNDARIES
GRAIN ORIENTATION
LINE DEFECTS
MECHANICAL PROPERTIES
METALS
MICROSTRUCTURE
ORIENTATION
SIMULATION
STRUCTURAL CHEMICAL ANALYSIS
TENSILE PROPERTIES