Papers by Author: Rosinah Modiba

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Authors: Hasani Chauke, Mordecai Mashamaite, Rosinah Modiba, Phuti Ngoepe
Abstract: In this study, we investigate the effect of ternary addition on the structural, mechanical properties and temperature dependence of Ti-based as potential shape memory alloys using molecular dynamics approach. We found that binary Ti-Pt alloys exhibit shape memory properties and display possible martensitic transformation from B2 to B19 phases. Partial addition with Zr, Co, Pd, Ir showed preferential ternary high temperature shape memory alloys formation of 6.25 at. % X composition (Ti-Pt-X). We found that the equilibrium lattice constants are in better agreement with the available experimental values. The heats of formation and elastic properties reveal possible composition and phases at temperature above 900 K with good shape memory properties. Their structures were confirmed using the X-ray diffraction patterns at different temperatures.
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Authors: Rosinah Modiba, Hasani Chauke, Phuti Ngoepe
Abstract: The study on the Ti-based materials and its application has been the interest of many research industries. These alloys are known to have an ordered B2 phase at high temperatures and transform to a stable low B19 martensitic phase. First principle approach has been used to study L10, B32, B2 and B19 Ti50Al50 alloys and the results compared well with the available experimental data. The equilibrium lattice constants are in good agreement with the experimental values (within 3% agreement). Furthermore, the elastic constants of these alloys are calculated, and revealed stability for L10 and B19 structures, while B2 and B32 gave C′<0 (condition of instability).
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