Fig. 2: Correlations between the root-mean-squared atomic displacement (RMSAD) parameter and fundamental properties of atomic bonds in refractory solid-solution alloys. | npj Computational Materials

Fig. 2: Correlations between the root-mean-squared atomic displacement (RMSAD) parameter and fundamental properties of atomic bonds in refractory solid-solution alloys.

From: Mining of lattice distortion, strength, and intrinsic ductility of refractory high entropy alloys

Fig. 2

a RMSAD vs. standard deviation of lengths of the first-nearest neighbor (FNN) atomic bonds in the relaxed SQS’s (\(\sigma _{{{{\mathrm{SQS}}}}}^L\)); b RMSAD vs. average valence electron concentration (\(u^{{{{\mathrm{VEC}}}}}\)); c RMSAD vs. standard deviation of the number of valence electrons of the constituent elements relative to VEC (\(\sigma ^{{{{\mathrm{VEC}}}}}\)); and d RMSAD vs. standard deviation of atomic bond lengths estimated from single-element bcc and binary B2 crystals (\(\sigma _{{{{\mathrm{B}}}}2/{{{\mathrm{bcc}}}}}^L\)) based on Eq. (6).

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