Fig. 4: Calculated mechanical properties of doped higher tungsten borides compared to other borides. | npj Computational Materials

Fig. 4: Calculated mechanical properties of doped higher tungsten borides compared to other borides.

From: Discovery of chemically modified higher tungsten boride by means of hybrid GNN/DFT approach

Fig. 4: Calculated mechanical properties of doped higher tungsten borides compared to other borides.The alternative text for this image may have been generated using AI.

a Pugh-Pettifor criterion, a relation between \(\frac{{C}_{12}-{C}_{44}}{B}\) and the Pugh ratio (\(\frac{G}{B}\)). b Zoomed region showing how brittleness varies with the type and concentration of metal substituent. c Ashby plot in coordination of Vickers hardness and fracture toughness. Vickers hardness is calculated using Chen’s model45, while fracture toughness is calculated using Niu–Oganov model46. d Zoomed region corresponding to the considered chemical modification of higher tungsten boride.

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