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From Microscopic Insight to Constitutive Models: Bridging Length Scales in Soft and Hard Materials

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Handbook of Materials Modeling

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Abstract

Translating the insight gained through numerical simulations of microscopic models into information and predictions useful for engineering applications is a formidable task for complex and amorphous materials. Here we propose a strategy that builds on distinct dedicated approaches at different length scales and transfers the relevant information across them, to bridge from an atomistic description to a mesoscale mechanical model. We provide an overview of the fundamental concepts that underlie such strategy and two examples for engineering-relevant materials such as clays and cement hydrates.

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Acknowledgements

EDG and KM acknowledge the support from the National Science Foundation under Grant No. NSF PHY-1748958. RP thanks for support A∗MIDEX, the Aix-Marseille University Idex Foundation, the CSHub@MIT (thanks to the Portland Cement Association (PCA) and the Ready Mixed Concrete (RMC) Research & Education Foundation), and the National Science Foundation under Grant No. 1562066.

Author information

Authors and Affiliations

  1. Department of Physics, Institute for Soft Matter Synthesis and Metrology, Georgetown University, Washington, DC, USA

    Emanuela Del Gado

  2. Kavli Institute for Theoretical Physics, UC Santa Barbara, Santa Barbara, CA, USA

    Emanuela Del Gado

  3. Université Grenoble Alpes, CNRS, LIPhy, Grenoble, France

    Kirsten Martens

  4. Concrete Sustainability Hub, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Roland J. -M. Pellenq

  5. CNRS/MIT/AMU Joint Laboratory “MultiScale Materials Science for Energy and Environment”, UMI MSE2, Marseille, France

    Roland J. -M. Pellenq

  6. Centre Interdisciplinaire de Nanosciences de Marseille, CINaM, CNRS/Aix-Marseille Université, Marseille, France

    Roland J. -M. Pellenq

Authors
  1. Emanuela Del Gado
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  2. Kirsten Martens
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  3. Roland J. -M. Pellenq
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Corresponding authors

Correspondence to Kirsten Martens or Roland J. -M. Pellenq .

Editor information

Editors and Affiliations

  1. Institute of Physics, École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland

    Wanda Andreoni

  2. Department of Nuclear Science & Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Sidney Yip

Section Editor information

  1. Department of Physics, Institute for Soft Matter Synthesis and Metrology, Georgetown University, Washington, DC, USA

    Emanuela Del Gado

  2. Kavli Institute for Theoretical Physics, UC Santa Barbara, Santa Barbara, CA, USA

    Emanuela Del Gado

  3. Concrete Sustainability Hub, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA

    Roland J. -M. Pellenq

  4. CNRS/MIT/AMU Joint Laboratory “MultiScale Materials Science for Energy and Environment”, UMI MSE2, Marseille, France

    Roland J. -M. Pellenq

  5. Centre Interdisciplinaire de Nanosciences de Marseille, CINaM, CNRS/Aix-Marseille Université, Marseille, France

    Roland J. -M. Pellenq

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Del Gado, E., Martens, K., Pellenq, R.J.M. (2020). From Microscopic Insight to Constitutive Models: Bridging Length Scales in Soft and Hard Materials. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling. Springer, Cham. https://doi.org/10.1007/978-3-319-50257-1_130-2

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  • DOI: https://doi.org/10.1007/978-3-319-50257-1_130-2

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-50257-1

  • Online ISBN: 978-3-319-50257-1

  • eBook Packages: Springer Reference Physics and AstronomyReference Module Physical and Materials ScienceReference Module Chemistry, Materials and Physics

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  1. Latest

    From Microscopic Insight to Constitutive Models: Bridging Length Scales in Soft and Hard Materials
    Published:
    28 December 2019

    DOI: https://doi.org/10.1007/978-3-319-50257-1_130-2

  2. Original

    From Microscopic Insight to Constitutive Models: Bridging Length Scales in Soft and Hard Materials
    Published:
    11 August 2018

    DOI: https://doi.org/10.1007/978-3-319-50257-1_130-1

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