Ni/Ni3Al grain boundary of Ni-based single superalloys: molecular dyn amics simulation | Zendy

YuHua Wen | Zendy; Zhu Tao | Zendy; Cao Li-xia | Zendy; ChongYu Wang | Zendy

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Ni/Ni3Al grain boundary of Ni-based single superalloys: molecular dyn amics simulation

Author(s) -

YuHua Wen,

Zhu Tao,

Cao Li-xia,

ChongYu Wang

Publication year - 2003

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.52.2520

Subject(s) - superalloy , materials science , molecular dynamics , grain boundary , lattice (music) , lattice constant , thermodynamics , condensed matter physics , nickel , crystallography , chemical physics , metallurgy , microstructure , diffraction , computational chemistry , physics , chemistry , acoustics , optics

In this paper, molecular dynamics simulations are used to study the structure of Ni-based single superalloys with a {100} Ni/Ni3Al grain boundary. Tw o differe nt 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 dislocati ons in local regions. Due to the surrounding differences of Ni3Al pha se in Ni-based phase, the dislocations formed are different.

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