Fracture toughness of a metal–organic framework glass

Metal-organic framework glasses feature unique thermal, structural, and chemical properties compared to traditional metallic, organic, and oxide glasses. So far, there is a lack of knowledge of their mechanical properties, especially toughness and strength, owing to the challenge in preparing large bulk glass samples for mechanical testing. However, a recently developed melting method enables fabrication of large bulk glass samples (>25 mm 3 ) from zeolitic imidazolate frameworks. Here, fracture toughness ( K Ic ) of a representative glass, namely ZIF-62 glass (Zn(C 3 H 3 N 2 ) 1.75 (C 7 H 5 N 2 ) 0.25 ), is measured using single-edge precracked beam method and simulated using reactive molecular dynamics. K Ic is determined to be ~0.1 MPa m 0.5 , which is even lower than that of brittle oxide glasses due to the preferential breakage of the weak coordinative bonds (Zn-N). The glass is found to exhibit an anomalous brittle-to-ductile transition behavior, considering its low fracture surface energy despite similar Poisson’s ratio to that of many ductile metallic and organic glasses. Metal-organic framework glasses are gaining interest, but large samples are difficult to fabricate and mechanical properties are not well understood. Here, the authors use experiments and simulations to assess fracture toughness and flexural strength of a zeolitic imidazolate framework glass.