Table 2 Results for mechanical properties (bulk: B, shear: G, and elastic moduli: E, and Vickers hardness: HV) for six single-phase high-entropy carbides

From: High-entropy high-hardness metal carbides discovered by entropy descriptors

 

B

G

E

H v,Chen

H v,Teter

H v,Tian

H v,exp

System

AFLOW (ROM)

Exp. (ROM)

AFLOW (ROM)

Exp. (ROM)

AFLOW (ROM)

Exp. (ROM)

AFLOW (ROM)

AFLOW (ROM)

AFLOW (ROM)

Exp. (ROM)

MoNbTaVWC5

312 (321)

278 (−)

183 (183)

226 (−)

460 (459)

533 ± 32 (−)

20 (20)

28 (28)

20 (20)

27 ± 3 (−)

HfNbTaTiZrC5

262 (267)

235 (232)

192 (165)

188 (184)

464 (455)

443 ± 40 (436 ± 30)

27 (25)

29 (28)

27 (25)

32 ± 2 (23 ± 2)

HfNbTaTiVC5

276 (279)

267 (239)

196 (196)

212 (189)

475 (476)

503 ± 40 (449 ± 30)

26 (26)

30 (30)

26 (26)

29 ± 3 (24 ± 2)

HfNbTaTiWC5

291 (296)

252 (−)

203 (186)

205 (−)

493 (459)

483 ± 24 (−)

26 (22)

31 (28)

26 (22)

31 ± 2 (−)

NbTaTiVWC5

305 (304)

253 (−)

199 (189)

206 (−)

490 (460)

485 ± 36 (−)

24 (22)

30 (29)

24 (23)

28 ± 2 (−)

HfTaTiWZrC5

274 (280)

246 (−)

191 (178)

200 (−)

466 (438)

473 ± 26 (−)

25 (21)

29 (27)

25 (21)

33 ± 2 (−)

  1. Three different models: Chen et al. 54, Teter 55, and Tian et al. 56 are used to calculate theoretical hardness values (only for the two non-W-containing compositions) from B and G. The ROM values are obtained from the results in this work for rock-salt structure binary carbides, as listed in Table 3. Since MoC and WC do not form a stable rock-salt phase at room temperature, the experimental ROMs for Mo- and W-containing compositions are not available, as indicated by (–). Units: B, G, E, and HV in (GPa)