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

doi:10.1021/acsami.8b06604

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

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Abstract

Here, 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.

Authors:

^[1]; Ready, Austin D. ^[2];

^[3];

^[1]; Friddle, Raymond W. ^[2];

^[2]

Univ. of Amsterdam (Netherlands). Van‘t Hoff Inst. for Molecular Sciences (HIMS)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)
Univ. of Cambridge (United Kingdom). Dept. of Materials Science and Metallurgy

Publication Date:: 2018-06-05

Research Org.:: Sandia National Lab. (SNL-CA), Livermore, CA (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1464192

Report Number(s):: SAND-2018-7644J
Journal ID: ISSN 1944-8244; 665803

Grant/Contract Number:: AC04-94AL85000; NA0003525; UvA385

Resource Type:: Accepted Manuscript

Journal Name:: ACS Applied Materials and Interfaces

Additional Journal Information:: Journal Volume: 10; Journal Issue: 25; Journal ID: ISSN 1944-8244

Publisher:: American Chemical Society (ACS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; dynamic mechanical analysis; elasticity; HKUST-1; mechanical properties; metal−organic frameworks; molecular dynamics; nanoindentations; negative thermal expansion

Citation Formats


                    Heinen, Jurn, Ready, Austin D., Bennett, Thomas D., Dubbeldam, David, Friddle, Raymond W., and Burtch, Nicholas C. Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal–Organic Framework.  United States: N. p., 2018. 
        Web.  doi:10.1021/acsami.8b06604.

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                    Heinen, Jurn, Ready, Austin D., Bennett, Thomas D., Dubbeldam, David, Friddle, Raymond W., & Burtch, Nicholas C. Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal–Organic Framework.  United States.  doi:10.1021/acsami.8b06604.

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                    Heinen, Jurn, Ready, Austin D., Bennett, Thomas D., Dubbeldam, David, Friddle, Raymond W., and Burtch, Nicholas C. Tue .  
        "Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal–Organic Framework".  United States.  doi:10.1021/acsami.8b06604.  https://www.osti.gov/servlets/purl/1464192.

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@article{osti_1464192,

  title        = {Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal–Organic Framework},

  author       = {Heinen, Jurn and Ready, Austin D. and Bennett, Thomas D. and Dubbeldam, David and Friddle, Raymond W. and Burtch, Nicholas C.},

  abstractNote = {Here, 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.},

  doi          = {10.1021/acsami.8b06604},

  journal      = {ACS Applied Materials and Interfaces},

  number       = 25,

  volume       = 10,

  place        = {United States},

  year         = {2018},

  month        = {6}

}

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