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Computing the volume enclosed by a periodic surface and its variation to model a follower pressure

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Abstract

In modeling and numerically implementing a follower pressure in a geometrically nonlinear setting, one needs to compute the volume enclosed by a surface and its variation. For closed surfaces, the volume can be expressed as a surface integral invoking the divergence theorem. For periodic systems, widely used in computational physics and materials science, the enclosed volume calculation and its variation is more delicate and has not been examined before. Here, we develop simple expressions involving integrals on the surface, on its boundary lines, and point contributions. We consider two specific situations, a periodic tubular surface and a doubly periodic surface enclosing a volume with a nearby planar substrate, which are useful to model systems such as pressurized carbon nanotubes, supported lipid bilayers or graphene. We provide a set of numerical examples, which show that the familiar surface integral term alone leads to an incorrect volume evaluation and spurious forces at the periodic boundaries.

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Acknowledgments

European Research Council (FP7/20072013)/ ERC Grant Agreement no. 240487.

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    Authors and Affiliations

    1. Lewis Sigler Institute for Integrative Genomics, Princeton University, Princeton, NJ, 08540, USA

      Mohammad Rahimi

    2. Universitat Politècnica de Catalunya-Barcelona Tech, Barcelona, Spain

      Kuan Zhang & Marino Arroyo

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    1. Mohammad Rahimi
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    2. Kuan Zhang
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    3. Marino Arroyo
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    Correspondence to Marino Arroyo.

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    Mohammad Rahimi and Kuan Zhang have contributed equally to this work.

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    Rahimi, M., Zhang, K. & Arroyo, M. Computing the volume enclosed by a periodic surface and its variation to model a follower pressure. Comput Mech 55, 519–525 (2015). https://doi.org/10.1007/s00466-014-1119-9

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    • DOI: https://doi.org/10.1007/s00466-014-1119-9

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