Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal-Organic Framework

ACS Appl Mater Interfaces. 2018 Jun 27;10(25):21079-21083. doi: 10.1021/acsami.8b06604. Epub 2018 Jun 12.

Abstract

We report the first experimental study into the thermomechanical and viscoelastic properties of a metal-organic framework (MOF) material. Nanoindentations show a decrease in the Young's modulus, consistent with classical molecular dynamics simulations, and hardness of HKUST-1 with increasing temperature over the 25-100 °C range. Variable-temperature dynamic mechanical analysis reveals significant creep behavior, with a reduction of 56% and 88% of the hardness over 10 min at 25 and 100 °C, respectively. This result suggests that, despite the increased density that results from increasing temperature in the negative thermal expansion MOF, the thermally induced softening due to vibrational and entropic contributions plays a more dominant role in dictating the material's temperature-dependent mechanical behavior.

Keywords: HKUST-1; dynamic mechanical analysis; elasticity; mechanical properties; metal−organic frameworks; molecular dynamics; nanoindentations; negative thermal expansion.