Correlation of Segregation Energies of Ni and Fe with Mendeleev Number

Abstract:

The needs for advanced functional materials are expected to provide a boost in powder metallurgy, where impurities on powder surfaces are incorporated as grain boundary segregation. This paper has three aims. After the consistency check, we analyze whether the reported data of Ni and Fe hosts can be correlated to the Mendeleev number of chemical elements. The data of the solvents were analyzed using the software R for principal component analysis (PCA). We grouped and correlated the data to Mendeleev number. The third aim is correlation with other element data such as solubility. As a result, we found that the embrittlement depends strongly on the chemical bonding. Surprisingly, the geometry of the grain boundary type such as interlayer distances, and local atomic volumes has only a minor influence.

• Periodical: Materials Science Forum (Volume 1016)
• Pages: 1642-1646
• DOI: https://doi.org/10.4028/www.scientific.net/MSF.1016.1642
• Online since: January 2021
• Authors: Wilfried Wunderlich*
• Keywords: Grain Boundary Segregation, Machine Learning, Structural Metals

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