科研之友
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摘要
In this paper, molecular dynamics simulations are used to study the structure of Ni-based single superalloys with a {100} Ni/Ni3Al grain boundary. Two different initial models are relaxed at 300K using Finnis-Sinclair-type potential. Our simulations reveal that the misfit energy due to the difference of their lattice constants is released not by long-range lattice misfit but by forming dislocations in local regions. Due to the surrounding differences of Ni3Al phase in Ni-based phase, the dislocations formed are different.
