Journal
MATERIALS RESEARCH LETTERS
Volume 7, Issue 4, Pages 145-151Publisher
TAYLOR & FRANCIS INC
DOI: 10.1080/21663831.2019.1566183
Keywords
High-throughput; perovskite; thermal conductivity; first-principles calculations
Categories
Funding
- National Natural Science Foundation of China [51602188]
- program for Professor of Special Appointment (Eastern Scholar) by Shanghai Municipal Education Commission [TP2015040, TP2015041]
- U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division through the Early Career Research Program
Ask authors/readers for more resources
High-throughput first-principles calculations are performed on ABO(3) perovskites for new thermal barrier coating (TBC) materials. We present systematic investigations comprised of multiple selection criteria to achieve the prediction of target materials. A database including mechanical/thermal properties of 190 perovskites is initially established. Six perovskites are proposed as novel TBC materials with predicted thermal conductivities under 1.25 W/(m.K) and good damage tolerance. The observed anisotropy of thermal conductivity provides possibilities for the performance controlling via the growth orientation design. The adopted strategy and established database are expected to inspire the design of ABO(3)-based TBC materials and future structural material investigations. [GRAPHICS] IMPACT STATEMENT An investigation strategy for ceramics based on high-throughput calculations is constructed. Six perovskite oxides are predicted as new thermal barrier coating materials based on the established property database of perovskites.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available