Structural transformation of Ti-based alloys during tensile and compressive loading: An insight from molecular dynamics simulations

Arifin, Rizal; Setiawan, Dian R. P.; Triawan, Dadang; Putra, Apriliandy Fajar Syah; Munaji, Munaji; Winardi, Yoyok; Putra, Wawan Trisnadi; Darminto, Darminto

doi:10.1557/s43579-023-00333-6

Cited by 1 publication

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“…We note that in a recent paper, the simulated compression and tension of Ti Al and Ti Ni alloys found maximum strength for equiatomic alloys, 74 . These alloys are more complex, however, since fcc, bcc and hcp structures compete for varying stoichiometry.…”

Section: Resultsmentioning

confidence: 60%

“…These alloys are more complex, however, since fcc, bcc and hcp structures compete for varying stoichiometry. On the other hand, the hardness in Ni x Cu 1−x increases monotonically with Ni content x 75 ; in both of these studies 74,75 , no analysis of the USFE was provided. Li et al 76 use MD simulation to study the change of hardness in Au upon the addition (less than 5%) of dilute alloying elements; they report that hardness scales correlates with the USFE, but even more with the difference of USFE and SFE.…”

Section: Resultsmentioning

confidence: 99%

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Simulated nanoindentation into single-phase fcc Fe$$_{x}$$Ni$$_{1-x}$$ alloys predicts maximum hardness for equiatomic stoichiometry

Alhafez

Deluigi

Tramontina

et al. 2023

Sci Rep

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We investigate by molecular dynamics simulation the mechanical behavior of concentrated alloys under nanoindentation for the special example of single-phase fcc Fe$$_{x}$$ x Ni$$_{1-x}$$ 1 - x alloys. The indentation hardness is maximum for the equiatomic alloy, $$x=0.5$$ x = 0.5 . This finding is in agreement with experimental results on the strength of these alloys under uniaxial strain. We explain this finding with the increase of the unstable stacking fault energy in the alloys towards $$x=0.5$$ x = 0.5 . With increasing Fe content, loop emission from the plastic zone under the indenter becomes less pronounced and the plastic zone features a larger fraction of screw dislocation segments; simultaneously, the length of the dislocation network and the number of atoms in the stacking faults generated in the plastic zone increase. However, the volume of twinned regions in the plastic zone is highest for the elemental solids and decreases for the alloys. This feature is explained by the fact that twinning proceeds by the glide of dislocations on adjacent parallel lattice planes; this concerted motion is less efficient in the alloys. Finally, we find that surface imprints show increasing pile-up heights with increasing Fe content. The present results will be of interest for hardness engineering or generating hardness profiles in concentrated alloys.

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