Table 1 Comparison of mechanical properties of experimental and simulated ZIF-62 glasses.

From: Fracture toughness of a metal–organic framework glass

 

E (GPa)

ν (−)

KIc (MPa m0.5)

γ (J m−2)

σmax (GPa)

\({\upvarepsilon }_{{{\upsigma }}_{{\mathrm{max}}}}\) (%)

ZIF-62 glass (exp)

5.2

0.343

0.104

0.82

0.008

0.3

ZIF-62 glass (MD)

4.1

0.395

0.097

0.98

0.703

17.38

  1. Estimated errors for elastic modulus (E), Poisson’s ratio (ν), fracture toughness (KIc), fracture surface energy (γ), strength (\({{\upsigma }}_{{\rm{max}}}\)), and strain at maximum stress (\({\upvarepsilon }_{{{\upsigma }}_{{\rm{max}}}}\)) are 0.9 GPa, 0.035, 0.009 MPa m0.5, 0.11 J m−2, 0.087 GPa, and 6.7%, respectively, for MD simulations and 0.3 GPa, 0.001, 0.019 MPa m0.5, 0.31 J m−2, 0.002 GPa, and 0.07%, respectively, for experiments. Source data are provided as a Source Data file.
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