Discovery of ABO3 perovskites as thermal barrier coatings through high-throughput first principles calculations

Discovery of ABO3 perovskites as thermal barrier coatings through high-throughput first principles calculations

High-throughput first-principles calculations are performed on ABO3 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 proper...

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Bibliographic Details
Main Authors: Yuchen Liu, Valentino R. Cooper, Banghui Wang, Huimin Xiang, Qian Li, Yanfeng Gao, Jiong Yang, Yanchun Zhou, Bin Liu
Format: Article
Language:English
Published: Taylor & Francis Group 2019-04-01
Series:Materials Research Letters
Subjects:
High-throughput
perovskite
thermal conductivity
first-principles calculations
Online Access:http://dx.doi.org/10.1080/21663831.2019.1566183

Internet

http://dx.doi.org/10.1080/21663831.2019.1566183

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