Open AccessMolecular dynamics simulation of stress-induced martensitic phase transformation in NiAl
Author(s) -
Lixia Cao,
Jiaxiang Shang,
Yue Zhang
Publication year - 2009
Publication title -
wuli xuebao
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.