Density Functional Theory description of the order-disorder transformation in Fe-Ni

The thermodynamic ordering transformation of tetragonal FeNi system is investigated by the Exact Muffin-Tin Orbitals (EMTO) method. The tetragonal distortion of the unit cell is taken into account and the free energy is calculated as a function of long-range order and includes the configurational, v...

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Detalles Bibliográficos
Autores principales: Tian, Li-Yun, Levämäki, Henrik, Eriksson, Olle, Kokko, Kalevi, Nagy, Ágnes, Délczeg-Czirják, Erna Krisztina, Vitos, Levente
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6546697/
https://www.ncbi.nlm.nih.gov/pubmed/31160612
http://dx.doi.org/10.1038/s41598-019-44506-7

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6546697/
https://www.ncbi.nlm.nih.gov/pubmed/31160612
http://dx.doi.org/10.1038/s41598-019-44506-7

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