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

Jurn HeinenAustin D ReadyThomas Douglas BennettDavid DubbeldamRaymond W FriddleNicholas C Burtch
Published in: ACS applied materials & interfaces (2018)
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.
Keyphrases
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  • molecular dynamics simulations
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