Table 1 Values of the Rice ratio, γUSF/γsurface, and the approximated threshold values (Eq. (1)) for ductile/brittle fracture for elemental Nb, and the RHEAs Nb45Ta25Ti15Hf15 and NbMoTaW

From: Ductility mechanisms in complex concentrated refractory alloys from atomistic fracture simulations

Fracture

 

γUSF/γsurface

 

\({\left[{\gamma }_{{\rm{USF}}}/{\gamma }_{{\rm{surface}}}\right]}_{{\rm{threshold}}}\)

Plane

Nb

NbMoTaW

Nb45Ta25Ti15Hf15

 

{110}

0.39

0.54 ± 0.025

0.33 ± 0.036

0.26

{112}

0.42

0.56 ± 0.025

0.33 ± 0.029

0.28

  1. Results are given for {110} and {112} fracture planes, calculated using the MLIP of Yin et al.22 for Nb and NbMoTaW and a new MLIP developed in this work for Nb45Ta25Ti15Hf15. For the two complex contrated alloys, 100 random samples (see SI section VIII for details) are calculated to account for the fluctuation in chemical environment.
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