Estimation of Hardness of Single-Phase Metallic Alloys
2025 (English)In: Crystals, ISSN 2073-4352, Vol. 15, no 2, article id 156
Article in journal (Refereed) Published
Abstract [en]
First, we discuss a common feature of single-phase pure metals and amorphous and high-entropy alloys: the maximum value of hardness corresponding to a valence electron count (VEC) value of around 6.5-7. This correlation is explained by the coincidence that by subtracting the number of sp valence electrons (Nsp = 2) from the VEC we obtain the maximal number of unpaired d electrons, Nd = 4.5-5 in the 3d, 4d, and 5d rows of transition elements. These unpaired d electrons form orbital overlap bonding, which is stronger than the isotropic metallic bonds of a delocalized electron cloud. The more unpaired d electrons there are, the higher the bonding strength. Second, we will discuss the hardness formulas derived from cohesion energy and shear modulus. We will demonstrate that both types of formulas originate in the electrostatic energy density of metallic bonds, expressing a 1/R4 dependence. Finally, we show that only two parameters are sufficient to estimate hardness: the atomic radius and the cohesion-based valence. In the case of alloys, our formula gives a lower bound on the hardness only. It is not suitable for calculation of the hardness increase caused by solid solution, grain size, precipitation, and phase mixture.
Place, publisher, year, edition, pages
MDPI AG , 2025. Vol. 15, no 2, article id 156
Keywords [en]
hardness, electrons, bond strength, cohesion energy, shear modulus
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-361096DOI: 10.3390/cryst15020156ISI: 001429680600001Scopus ID: 2-s2.0-85218910721OAI: oai:DiVA.org:kth-361096DiVA, id: diva2:1943640
2025-03-112025-03-112025-03-11Bibliographically approved