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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(...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2021
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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 |