| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10634059 | Scripta Materialia | 2012 | 4 Pages |
Abstract
The cohesion effect of transition metals on W grain boundaries (GBs) was studied via first-principles calculations. Systematic d-band filling for a given atomic environment results in trends of cleavage energy as a function of the solute's electronic valence across different GB sites. Various solutes were found to strengthen the GB. Furthermore, lower- and higher-valence elements enhance cohesion at different positions. This suggests that employing both lower-valence (Hf, Ta, Nb) and higher-valence solutes (Re, Os, Ru) may further increase intergranular cohesion.
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
Wahyu Setyawan, Richard J. Kurtz,