Back to Search
Start Over
Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys
- Source :
- Computational Materials Science. 172:109320
- Publication Year :
- 2020
- Publisher :
- Elsevier BV, 2020.
-
Abstract
- Using ab initio alloy theory, we systemically investigate the effect of alloying elements on the elastic properties of body-centered cubic (bcc) Ti1−x−yMoxMy (0.05 ≤ x ≤ 0.2; 0 ≤ y ≤ 0.4; M = Mg, Mn, Ni, Zr, Nb, and W) alloys. The theoretical single-crystal and polycrystalline elastic moduli of Ti1−xMox (0.05 ≤ x ≤ 0.2) agree well with the available experimental values and previous theoretical data. The lattice parameters of Ti-Mo-M ternary alloys significantly increase (decrease) with increasing Mg and Zr (Mn and Ni) contents, while remain almost constant for Nb and W additions. It is found that Mg is a promising alloying element that could decrease the Young’s modulus of bcc Ti-Mo alloys, but its content should be as small as possible since the stability of the β phase decreases with increasing Mg concentration. On the other hand, Mn, Ni, Nb, Zr, and W enhance the Young’s modulus and the stability of the β phase.
- Subjects :
- Materials science
General Computer Science
Alloy
Ab initio
General Physics and Astronomy
Thermodynamics
Modulus
02 engineering and technology
General Chemistry
engineering.material
Cubic crystal system
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Computational Mathematics
Mechanics of Materials
Lattice (order)
engineering
General Materials Science
Crystallite
0210 nano-technology
Ternary operation
Elastic modulus
Subjects
Details
- ISSN :
- 09270256
- Volume :
- 172
- Database :
- OpenAIRE
- Journal :
- Computational Materials Science
- Accession number :
- edsair.doi...........1dacf3260e449377c41891b11ad56202