Brittle-to-ductile transition and theoretical strength in a metal–organic framework glass

Abstract

Metal-organic framework (MOF) glasses, a new type of melt-quenched glass, are of great promise to deal with the alleviation of greenhouse effect, energy storage and conversion. However, the mechanical behavior...

Structural Origin of the Deformation Propensity of Zeolitic Imidazolate Framework Glasses

“…So far, a variety of experimental methods have been utilized to study the mechanical properties of the ZIF glasses. They primarily include: (1) nanoscale and microscale indentation for evaluating hardness, strain rate sensitivity, and deformation behaviors including fracture; , (2) single-edge precracked beam method for evaluating fracture toughness; and (3) micropillar-compression for determining the strength and deformation behavior at the microscale. , Most of these experiments require relatively large ZIF glass samples. Alternatively, molecular dynamics (MD) simulations have been demonstrated to be an effective way of characterizing the mechanical properties of ZIF glasses. ,, While ab initio MD (AIMD) simulations can accurately capture the structure of various ZIF phases, their utility is constrained by small systems and short time scales due to the large computational cost, making them unsuitable for conducting fracture simulations.…”

“…They primarily include: (1) nanoscale and microscale indentation for evaluating hardness, strain rate sensitivity, and deformation behaviors including fracture; 12,13 (2) single-edge precracked beam method for evaluating fracture toughness; 21 and (3) micropillar-compression for determining the strength and deformation behavior at the microscale. 22,23 Most of these experiments require relatively large ZIF glass samples. Alternatively, molecular dynamics (MD) simulations have been demonstrated to be an effective way of characterizing the mechanical properties of ZIF glasses.…”