Nonequilibrium molecular dynamics study on thermal conductivity of spinel AB2O4

Nonequilibrium molecular dynamics study on thermal conductivity of spinel AB2O4

Spinel oxides with the formula AB2O4 are widely used in the design of materials for thermal barrier coatings, due to their low thermal expansion, thermal conductivity, and hydrogen diffusion. This study aims to identify spinel oxide ceramics that exhibit both low thermal conductivity and low thermal...

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Bibliographic Details
Main Authors: Jiaqi Liang, Jiaxi Liu, Yifan Jing, Huicheng Yang, Shengmin Zhou, Yongpeng Xia, Fen Xu, Lixian Sun, Pengru Huang
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Materials & Design
Subjects:
Nonequilibrium molecular dynamics
Thermal conductivity
Spinel oxides
Machine learning potential
Online Access:http://www.sciencedirect.com/science/article/pii/S0264127525005775
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