Heterogeneous nucleation mechanism of CaS and TiN on spinel combining DFT calculations and experiments

Heterogeneous nucleation mechanism of CaS and TiN on spinel combining DFT calculations and experiments

The characteristics of composite inclusions between atomic interfaces has been investigated by combining high-angle annular dark field (HAADF) with first-principles computations. The characteristics of the composite inclusions reveal a core of Ca2Al2O5, with CaS and TiN adhering to its surface. Acco...

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Bibliographic Details
Main Authors: Shi Cheng, Tingping Hou, Yihang Zheng, Liling Yu, Tao Yu, Chaochao Yin, Serhii Yershov, Xianming Pan, Xiaojie Liu, Shue Hu, Kaiming Wu
Format: Article
Language:English
Published: Elsevier 2024-11-01
Series:Journal of Materials Research and Technology
Subjects:
Composite inclusion
Heterogeneous nucleation
First-principle calculations
Interfacial property
Orientation relationship
Online Access:http://www.sciencedirect.com/science/article/pii/S223878542401994X
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