Electron work function: a novel probe for toughness

Abstract

In this study, based on the calculation of surface properties, ideal strengths and responses of electron localization to the deformation, it was demonstrated that the fracture toughness of transition metals can be correlated to their electron work function. Within the range where the electron work function is smaller than 4.6 eV, the fracture toughness increases with the electron work function. However, if the electron work function exceeds 4.6 eV, then the fracture toughness decreases with an increase in electron work function. This evidence indicates that electron work function could be a sensitive parameter for material selection in order to control the fracture toughness.

Influence of carbon on stability, mechanical property, electronic structure, and lattice dynamics of silicon carbonitride

“…Based on the minimum shear strength, the most likely slip occurs on prismatic plane of , rather than the basal plane of . This sliding behavior is similar to the behavior of WC, which is completely different from the HCP structural metals, where the most likely sliding plane located on basal plane …”

“…Due to the hexagonal close packed (HCP) structure of b-Si 3 (C x ,N 1Àx ) 4 , there are 5 independent elastic constants, C 11 , C 12 , C 13 , C 33 , C 44 . According to the finite displacement method proposed by Fast et al, 30 5 independent elastic constants can be extracted from the relationship between energy and displacement.…”

Explore the electron work function as a promising indicative parameter for supplementary clues towards tailoring of wear-resistant materials

“…4), which is related to ductility, as well as the fact that the material toughness is a product of strength and ductility, one may expect that the material toughness should increase with increasing the work function and then decrease after reach a certain value. Based on our recent studies [32], there is an approximate trend between work function and fracture toughness of metals as Fig. 5 illustrates.…”

“…ϕ is also related to material ductility and thus toughness [32]. From the viewpoint of charge redistribution in an external field, the material intrinsic ductility is correlated to the polarizability, on which the material fracture behavior is dependent [32][33][34]. In an electric field E, the charge redistribution creates a dipole moment in the direction of the applied electric field.…”

“…It has been demonstrated that hardness is proportional to ϕ 6 [31]. ϕ is also related to material ductility and thus toughness [32]. From the viewpoint of charge redistribution in an external field, the material intrinsic ductility is correlated to the polarizability, on which the material fracture behavior is dependent [32][33][34].…”