Theoretical studies of grain boundaries in Ni/sub 3/Al with boron or sulfur
It is well known that grain boundaries (GB) can have pronounced effects on the physical properties of materials (mechanical properties, corrosion resistance, fracture path, resistivity, etc.). Accordingly, a great deal of effort has been devoted to trying to understand the structure, energetics, and properties of grain boundaries. Significant experimental and theoretical progress has been made in understanding grain boundaries in pure systems, while the understanding of grain boundaries in alloy systems is much less developed. Also the mechanical properties of the grain boundaries are not well understood. In the present report, the authors summarize recent results on atomistic simulations of grain boundaries in the Ll/sub 2/ ordered alloy Ni/sub 3/Al. Understanding grain boundaries in this material is of particular importance since intergranular fracture limits the applicability of this otherwise promising material. To put these results into perspective, additional simulations were performed on grain boundaries in pure Ni and Al. Many features of grain boundaries in the ordered alloy may be understood in terms of the results on pure Ni and Al grain boundaries. The authors also consider the effect of boron, sulfur, and nickel segregation on the strength of grain boundaries in Ni and Ni/sub 3/Al.
- Research Organization:
- Los Alamos National Lab., Los Alamos, NM (US)
- OSTI ID:
- 6166686
- Journal Information:
- Scr. Metall.; (United States), Journal Name: Scr. Metall.; (United States) Vol. 23:2; ISSN SCRMB
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360102* -- Metals & Alloys-- Structure & Phase Studies
360103 -- Metals & Alloys-- Mechanical Properties
360105 -- Metals & Alloys-- Corrosion & Erosion
ALLOYS
ALUMINIUM ALLOYS
BORON
CHEMICAL REACTIONS
CORROSION
CORROSION RESISTANCE
CRYSTAL STRUCTURE
DATA
ELEMENTS
EXPERIMENTAL DATA
GRAIN BOUNDARIES
INFORMATION
INTERGRANULAR CORROSION
MECHANICAL PROPERTIES
MICROSTRUCTURE
NICKEL ALLOYS
NONMETALS
NUMERICAL DATA
PHYSICAL PROPERTIES
SEMIMETALS
SIMULATION
SULFUR
THEORETICAL DATA