Effect of Si on the stability of NbCr2 Laves phase in Cr-Mo-Nb system
| Autor: | Seiji Miura, Li Peng, Ken Ichi Ikeda, Toshiaki Horiuchi, Satoshi Takizawa |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science Mechanical Engineering Enthalpy Metals and Alloys Thermodynamics 02 engineering and technology General Chemistry Electronic structure Laves phase 021001 nanoscience & nanotechnology 01 natural sciences Stability (probability) Atomic radius Mechanics of Materials Phase stability Site occupancy 0103 physical sciences Materials Chemistry Density functional theory 0210 nano-technology Phase diagram |
| Zdroj: | Intermetallics. 110:106457 |
| ISSN: | 0966-9795 |
| Popis: | An experimental study on a part of the Cr-Nb-Mo-Si quaternary phase diagram associated with the NbCr2 Laves phase is conducted. It is found that most of the Si added to 50Cr-30Mo-20Nb alloys is distributed in the NbCr2 Laves phase and that the amount of Mo in the Laves phase increases with increasing Si addition. The Laves phase in Cr-Mo-Nb alloys with higher Si addition is found to be more stable. Electronic structure calculations based on density functional theory are performed to examine the effects of Mo and Si co-doping on the formation enthalpy of NbCr2. It is found that the co-doping effectively increases the stability of the Laves phase. This result is consistent with the effect of the atomic size ratio DA/DB on the stability of the AB2 Laves phase, where DA and DB are the average atomic diameters of atoms occupying the A and B sites of the AB2 structure, respectively. |
| Databáze: | OpenAIRE |
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