- Title Information
- Title
- First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings
- Abstract
- We perform first-principles calculations to assess the thermal compatibility between Ru-based base alloys and Ir coatings. We use special quasirandom structures for atomistic modeling to obtain thermal expansion coefficients up to 2400 K. Most of the proposed Ru-based alloys show better thermal compatibility with Ir than Re. A four-dimensional thermal expansion model of the Ru–Mo–Ta–W quaternary system is presented.
- Name
- Name Part
- Sun, Ruoshi
- Role
- Role Term (marcrelator)
(authorityURI="http://id.loc.gov/vocabulary/relators", valueURI="http://id.loc.gov/vocabulary/relators/cre")
- Creator
- Name
- Name Part
- Asta, Mark
- Role
- Role Term (marcrelator)
(authorityURI="http://id.loc.gov/vocabulary/relators", valueURI="http://id.loc.gov/vocabulary/relators/cre")
- Creator
- Name
- Name Part
- van de Walle, Axel
- Role
- Role Term (marcrelator)
(authorityURI="http://id.loc.gov/vocabulary/relators", valueURI="http://id.loc.gov/vocabulary/relators/cre")
- Creator
- Origin Information
- Date Created
- 2019
- Subject (Local)
- Topic
- thermal expansion
- Subject (Local)
- Topic
- Ruthenium
- Subject (Local)
- Topic
- Alloys
- Subject (Local)
- Topic
- Ab Initio Calculation
- Type of Resource
- text
- Genre
- articles
- Access Condition:
use and reproduction
(href="http://creativecommons.org/licenses/by/4.0/")
-
This work is licensed under a Creative Commons Attribution 4.0 International License
- Access Condition:
logo
(href="https://licensebuttons.net/l/by/4.0/88x31.png")
- Note
-
The authors acknowledge support from the Office of Naval Research through program number N00014-16-1-3124. Computational resources were provided by the Center for Computation and Visualization at Brown University and the Extreme Science and Engineering Discovery Environment (XSEDE) Stampede2 at the Texas Advanced Computing Center through allocation TG-DMR050013N, which is supported by National Science Foundation Grant No. ACI-1548562.
- Identifier:
DOI
- 10.1016/j.commatsci.2019.109199