Topological Control on the Structural Relaxation of Atomic Networks under Stress

Mathieu Bauchy, Mengyi Wang, Yingtian Yu, Bu Wang, N. M. Anoop Krishnan, Enrico Masoero, Franz-Joseph Ulm, and Roland Pellenq
Phys. Rev. Lett. 119, 035502 – Published 21 July 2017
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Abstract

Upon loading, atomic networks can feature delayed irreversible relaxation. However, the effect of composition and structure on relaxation remains poorly understood. Herein, relying on accelerated molecular dynamics simulations and topological constraint theory, we investigate the relationship between atomic topology and stress-induced structural relaxation, by taking the example of creep deformations in calcium silicate hydrates (CSH), the binding phase of concrete. Under constant shear stress, CSH is found to feature delayed logarithmic shear deformations. We demonstrate that the propensity for relaxation is minimum for isostatic atomic networks, which are characterized by the simultaneous absence of floppy internal modes of relaxation and eigenstress. This suggests that topological nanoengineering could lead to the discovery of nonaging materials.

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  • Received 10 January 2017

DOI:https://doi.org/10.1103/PhysRevLett.119.035502

© 2017 American Physical Society

Physics Subject Headings (PhySH)

NetworksPolymers & Soft MatterInterdisciplinary PhysicsAtomic, Molecular & OpticalCondensed Matter, Materials & Applied Physics

Authors & Affiliations

Mathieu Bauchy1,*, Mengyi Wang1, Yingtian Yu1, Bu Wang1, N. M. Anoop Krishnan1, Enrico Masoero2, Franz-Joseph Ulm3,4, and Roland Pellenq3,4,5

  • 1Physics of AmoRphous and Inorganic Solids Laboratory (PARISlab), Department of Civil and Environmental Engineering, University of California, Los Angeles, California 90095, USA
  • 2School of Civil Engineering and Geosciences, Newcastle University, Newcastle upon Tyne NE1 7RU, United Kingdom
  • 3Concrete Sustainability Hub, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
  • 4MIT-CNRS joint laboratory at Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
  • 5Centre Interdisciplinaire des Nanosciences de Marseille, CNRS and Aix-Marseille University, Campus de Luminy, Marseille, 13288 Cedex 09, France

  • *bauchy@ucla.edu

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Issue

Vol. 119, Iss. 3 — 21 July 2017

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