Molecular dynamics simulation of stress-induced martensitic phase transformation in NiAl | Zendy

Lixia Cao | Zendy; Jiaxiang Shang | Zendy; Yue Zhang | Zendy

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Molecular dynamics simulation of stress-induced martensitic phase transformation in NiAl

Author(s) -

Lixia Cao,

Jiaxiang Shang,

Yue Zhang

Publication year - 2009

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.58.7307

Subject(s) - nial , materials science , molecular dynamics , nucleation , diffusionless transformation , crystal twinning , martensite , phase (matter) , stress (linguistics) , deformation (meteorology) , embedded atom model , atom (system on chip) , condensed matter physics , thermodynamics , metallurgy , microstructure , composite material , intermetallic , alloy , computational chemistry , physics , chemistry , linguistics , philosophy , computer science , embedded system , quantum mechanics

Molecular dynamics simulations are utilized to study the deformation process in NiAl under uniaxial tension using embedded atom method EAM interatomic potential. Both the tensile stress-strain curve and the atomic configurations are analyzed. The martensitic phase transformation is observed and the initial B2 NiAl transforms to a face-centered cubic ordered phase L10. The investigation of atomic configuration evolution indicates that the martensitic phase transformation occurs by the propagation and annihilation of {110} twinning planes. The nucleation mechanism of stress induced martensile has also been discussed.

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