Open AccessEffect of Pd in NiTi on the martensitic transformation temperatures and hysteresis: a first-principles study
Author(s) -
Lichao Ma,
Wei Xu,
Jiaxiang Shang
Publication year - 2014
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.63.233103
Subject(s) - materials science , martensite , nickel titanium , austenite , hysteresis , phase (matter) , thermodynamics , diffusionless transformation , condensed matter physics , shape memory alloy , metallurgy , microstructure , physics , quantum mechanics
In this paper phase stability and functional properties of Pd-doped NiTi with different Pd concentrations (Ni24-nPdnTi24, n=2, 3, 4, 5, 6, 9, 12; CPd=4.2 at.%, 6.3 at.%, 8.4 at.%, 10.4 at.%, 12.5 at.%, 18.8 at.% and 25 at.%) are calculated by first-principles method. Results show that B19' is the most stable when CPd is less than 10.4 at.%, whereas B19 is the most stable for CPd is equal to or larger than 10.4 at.%. The formation energy decreases with increasing Pd concentration. With increasing CPd, the energy difference between austenite and martensite decreases slightly and increases for CPdCPdCPd=10.4 at.%, which agrees well with the experimental results.