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Chemical composition of (310) [100] symmetrical tilt grain boundary in Ni3Al
Čermák, Jiří
Structure of . .SIGMA.5 (310) [100] symmetrical tilt grain boundary in ordered intermetallic alloy Ni3Al was constructed and relaxed by Monte Carlo method using pair L-J - type interatomic potential. Three modified grain boundary structures were tested. They differed in chemical composition and in relative grain boundary energy. The configuration with the lowest grain boundary energy was enriched on nickel.
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