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First-Principle Study on the Stability of Lightly Doped (Nb(1–x)Ti(x))C Complex Carbides and Their Verification in 1045 Steel

[Image: see text] The mixing Gibbs free energy and formation enthalpy difference of different Ti-doped (Nb(1–x)Ti(x))C complex carbides were calculated using the Cambridge Serials Total Energy Package (CASTEP) module of Materials Studio 2019 software. The calculation results predict that (Nb(1–x)Ti(...

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Detalles Bibliográficos
Autores principales: Zhu, Hongwei, Zhai, Long, Li, Jiangang, Xiao, Furen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8340393/
https://www.ncbi.nlm.nih.gov/pubmed/34368583
http://dx.doi.org/10.1021/acsomega.1c02950