Development of a TaN-Ce Machine Learning Potential and Its Application to Solid–Liquid Interface Simulations

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Detalles Bibliográficos
Publicado en:	Metals vol. 15, no. 9 (2025), p. 972-987
Autor Principal:	Zhang, Yunhan
Outros autores:	Cai Jianfeng, Chen, Hongjian, Lv Xuming, Bowen, Huang
Publicado:	MDPI AG
Materias:	Machine learning Simulation Software packages Tantalum Tantalum nitrides Thermal stability Interdiffusion Wetting Nitrogen atoms Tensors Thermal resistance Atomic properties Molecular dynamics Contact angle Boundary conditions High temperature Liquid-solid interfaces Metallurgy Interfaces Transition layers Corrosion Penetration resistance
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