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Ni from First-principles : Implications for Tailoring the Creep Rate of Ni-base Superalloys
| Content Provider | Semantic Scholar |
|---|---|
| Author | Zacherl, Chelsey L. Shang, Shunli Kim, Dong Eon Wang, Yuliang Liu, Zeheng |
| Copyright Year | 2012 |
| Abstract | To understand the effects of alloying elements on t he creep rate of Ni-base superalloys, factors entering into a second ary creep rate are calculated via first-principles calculations ba sed on density functional theory for 26 Ni 31X systems where X = Al, Co, Cr, Cu, Fe, Hf, Ir, Mn, Mo, Nb, Os, Pd, Pt, Re, Rh, Ru, Sc, i, Ta, Tc, Ti, V, W, Y, Zr, and Zn. They are volume, elastic prop erties, stacking fault energy, and diffusivity. It is foun d that shear modulus, Young's modulus, and roughly stacking faul t energy show inverse correlation to the atomic volume of th e system. In addition, the closer the alloying elements to Ni, w ith respect to atomic volume and atomic number, the larger the pre dict d shear modulus, Young's modulus, and stacking fault energy . Diffusivity calculations show that mid-row 5d trans ition metal elements, particularly Re, Os, and Ir, have the hig hest activation barrier for diffusion, while far-right or far-left row placement elements such as Y, Zn, and Hf, have the lowest act ivation energy barriers for diffusion. A creep rate ratio of ⁄ is calculated and the effect of the alloying elements shows 13 systems have a decreased creep rate relative to Ni, while 13 systems have an increased creep rate relative to Ni . |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://www.phases.psu.edu/wp-content/uploads/2012-chelsey-superalloy2012.pdf |
| Alternate Webpage(s) | https://www.tms.org/Superalloys/10.7449/2012/Superalloys_2012_455_461.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
