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Particles in Contact pp 339–358Cite as

A Contact Model for the Discrete Element Simulations of Aggregated Nanoparticle Films

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Abstract

This chapter presents the development of a Discrete Element Method (DEM) contact model for aggregated nanoparticles. Particle synthesis from the gas phase often results in nanoparticles with a primary particle diameter smaller than 20 nm. These particles interact via sinter bridges (aggregates) or weaker adhesion forces such as capillary and solvation forces (agglomerates). Here, we present a set of five DEM contact model components to compute non-covalent adhesion forces (capillary and solvation forces), normal and tangential contact, rolling torque and stiff sinter bridges between nanoparticles with a diameter smaller than 20 nm. This model can represent nanoparticle films comprised of hundreds of thousands of primary particles under mechanical load. Validation against atomic force microscopy (AFM) force distance curves and mechanical compaction up to 3.4 MPa reproduced experiments with striking agreement. The DEM simulations allow us to gain insight into the structure and the restructuring of nanoparticle films that is impossible to obtain from experiments. This can help tailor particle films and coatings in a wide range of applications including catalysis, gas sensing and energy storage.

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Notes

  1. 1.

    This function was removed in LIGGGHTS 3.2 and needs to be implemented from previous versions.

  2. 2.

    https://github.com/UniHB-IWT/LIGGGHTS-Nano.

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Author information

Authors and Affiliations

  1. Faculty of Production Engineering, University of Bremen, Bremen, Germany

    Valentin Baric, Jens Laube, Samir Salameh, Lucio Colombi Ciacchi & Lutz Mädler

  2. Leibniz Institute for Materials Engineering IWT, Bremen, Germany

    Valentin Baric, Samir Salameh & Lutz Mädler

  3. Hybrid Materials Interfaces Group, Bremen, Germany

    Jens Laube & Lucio Colombi Ciacchi

Authors
  1. Valentin Baric
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  2. Jens Laube
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  3. Samir Salameh
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  4. Lucio Colombi Ciacchi
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  5. Lutz Mädler
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Corresponding author

Correspondence to Lutz Mädler .

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Editors and Affiliations

  1. Institute of Particle Process Engineering, Technische Universität Kaiserslautern, Kaiserslautern, Germany

    Sergiy Antonyuk

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Baric, V., Laube, J., Salameh, S., Colombi Ciacchi, L., Mädler, L. (2019). A Contact Model for the Discrete Element Simulations of Aggregated Nanoparticle Films. In: Antonyuk, S. (eds) Particles in Contact. Springer, Cham. https://doi.org/10.1007/978-3-030-15899-6_11

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