| Popis: |
The effect of Nb content on the martensitic transformation of NbRu high-temperature shape memory alloys is investigated by experiments and first-principles calculations. We calculate the lattice parameters, density of states, charge density, and heats of formation of Nb50+xRu50–x β phase. The results show that an increase in Nb content increases the stability of Nb50+xRu50–x β phase, leading to a significant decrease of the β to β' martensitic transformation temperature. In addition, the mechanism of the effects of Nb content on phase stability and martensitic transformation temperature is studied on the basis of electronic structure. |
