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Title: Eigenvector centrality is a metric of elastomer modulus, heterogeneity, and damage

Abstract

Here, we present an application of eigenvector centrality to encode the connectivity of polymer networks resolved at the micro- and meso-scopic length scales. This method captures the relative importance of different nodes within the network structure and provides a route toward the development of a statistical mechanics model that correlates connectivity with mechanical response. This scheme may be informed by analytical and semi-analytical models for the network structure, or through direct experimental examination. It may be used to predict the reduction in mechanical performance for heterogeneous materials subjected to specific modes of damage. Here, we develop the method and demonstrate that it leads to the prediction of established trends in elastomers. We also apply the model to the case of a self-healing polymer network reported in the literature, extracting insight about the fraction of bonds broken and re-formed during strain and recovery.

Authors:
ORCiD logo [1]; ORCiD logo [1]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1358162
Report Number(s):
LA-UR-16-26497
Journal ID: ISSN 2045-2322
Grant/Contract Number:  
AC52-06NA25396
Resource Type:
Accepted Manuscript
Journal Name:
Scientific Reports
Additional Journal Information:
Journal Volume: 7; Journal Issue: 1; Journal ID: ISSN 2045-2322
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; coarse-grained models; complex networks; mechanical properties; polymers

Citation Formats

Welch, Jr., Paul Michael, and Welch, Cynthia F. Eigenvector centrality is a metric of elastomer modulus, heterogeneity, and damage. United States: N. p., 2017. Web. doi:10.1038/s41598-017-00818-0.
Welch, Jr., Paul Michael, & Welch, Cynthia F. Eigenvector centrality is a metric of elastomer modulus, heterogeneity, and damage. United States. doi:10.1038/s41598-017-00818-0.
Welch, Jr., Paul Michael, and Welch, Cynthia F. Thu . "Eigenvector centrality is a metric of elastomer modulus, heterogeneity, and damage". United States. doi:10.1038/s41598-017-00818-0. https://www.osti.gov/servlets/purl/1358162.
@article{osti_1358162,
title = {Eigenvector centrality is a metric of elastomer modulus, heterogeneity, and damage},
author = {Welch, Jr., Paul Michael and Welch, Cynthia F.},
abstractNote = {Here, we present an application of eigenvector centrality to encode the connectivity of polymer networks resolved at the micro- and meso-scopic length scales. This method captures the relative importance of different nodes within the network structure and provides a route toward the development of a statistical mechanics model that correlates connectivity with mechanical response. This scheme may be informed by analytical and semi-analytical models for the network structure, or through direct experimental examination. It may be used to predict the reduction in mechanical performance for heterogeneous materials subjected to specific modes of damage. Here, we develop the method and demonstrate that it leads to the prediction of established trends in elastomers. We also apply the model to the case of a self-healing polymer network reported in the literature, extracting insight about the fraction of bonds broken and re-formed during strain and recovery.},
doi = {10.1038/s41598-017-00818-0},
journal = {Scientific Reports},
number = 1,
volume = 7,
place = {United States},
year = {2017},
month = {4}
}

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Works referenced in this record:

Shape-Memory Polymers
journal, June 2002