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• W3041642834 abstract "TiPd alloys have been suggested for commercial applications due to their high strength and good corrosion resistance. An improvement upon its stability through alloying with Ru requires an understanding of its thermodynamics, which currently is not clear. A cluster expansion based Monte Carlo simulations have been used to investigate the phase stability of TiPd1-xRux and Ti1-xPdRux shape memory alloys. The cross-validation score (CVS) was used to verify the fitting accuracy and was found to be reasonable. The cluster expansion generated 27 new structures on B2 TiPd1-xRux (Pd site) and 17 new structure for B2 Ti1-xPdRux (Ti site). The ground state line predicted no stable structures relative to the predicted enthalpies of formation for TiPd1-xRux alloys. All formation energies of TiPd1-xRux alloys are positive, showing that there is a miscibility gap in the system and thermodynamic instability. The result showed that Ru prefers being substituted on the Ti-site than the Pd-site. Monte-Carlo simulations were employed to determine phase changes and high temperature properties of mixed TiPd1-xRux and Ti1-xPdRux alloys for the entire range of Ru concentrations (0 ≤ x ≤ 1). The phase diagram of TiPd1-xRux and Ti1-xPdRux systems were constructed. These findings can have important implications for future shape memory materials design in aerospace industries for actuators." @default.
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• W3041642834 date "2021-01-01" @default.
• W3041642834 modified "2023-10-16" @default.
• W3041642834 title "Phase stability of TiPd1-xRux and Ti1-xPdRux shape memory alloys" @default.
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• W3041642834 doi "https://doi.org/10.1016/j.matpr.2020.05.806" @default.
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