2018
DOI: 10.2320/matertrans.m2017333
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<i>Ab Initio</i> Prediction of Atomic Location of Third Elements in B2-Type TiNi

Abstract: Based on ab initio total energy calculations, we predict the atom location of the third element X (X = Sc, Ti, V, Cr, Mn, Fe, Co, Ni and Cu) in B2-type TiNi. The formation energy of Ti-substitutional X and Ni-substitutional X are estimated by using the Vienna Ab initio Simulation Package (VASP). It is found that Sc prefers the Ti-substitutional site and Cr, Mn, Fe and Co prefer the Ni-substitutional site. The location of V and Cu may depend on the composition of Ti and Ni. The chemical trend of the formation e… Show more

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Cited by 5 publications
(2 citation statements)
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“…% Ni). According to the literature, in B2-NiTi vanadium can be located in Ni-substitutional site, as well as in Ti-substitutional site [29]. Therefore, a Ni:Ti atomic ratio close to 1 should be obtained, in order to guarantee that upon heating B2-NiTi is formed.…”
Section: Deposition Of Ni/ti Multilayer Thin Filmsmentioning
confidence: 99%
“…% Ni). According to the literature, in B2-NiTi vanadium can be located in Ni-substitutional site, as well as in Ti-substitutional site [29]. Therefore, a Ni:Ti atomic ratio close to 1 should be obtained, in order to guarantee that upon heating B2-NiTi is formed.…”
Section: Deposition Of Ni/ti Multilayer Thin Filmsmentioning
confidence: 99%
“…The Ni target has vanadium to eliminate its ferromagnetism [32]. As the third element in B2 -NiTi (cubic austenite phase), vanadium can be in both Ni and Ti substitutional sites [33]. The distance between the targets and substrates' surface was 90 and 75 mm for Ni and Ti targets, respectively.…”
Section: Deposition Of Ni/ti Nanomultilayer Thin Filmsmentioning
confidence: 99%