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Data files for ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

We present computed datasets on changes in the lattice parameter and elastic stiffness coefficients of bcc Fe due to substitutional Al, B, Cu, Mn, and Si solutes, and octahedral interstitial C and N solutes. The data is calculated using the methodology based on density functional theory (DFT) presen...

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Detalles Bibliográficos
Autores principales:	Fellinger, Michael R., Hector Jr., Louis G., Trinkle, Dallas R.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2016
Materias:	Data Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5149050/ https://www.ncbi.nlm.nih.gov/pubmed/27981205 http://dx.doi.org/10.1016/j.dib.2016.11.092

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