Dataset for Glassy interphases reinforce elastomeric nanocomposites by enhancing volume expansion under strain

This repository contains the processed simulation data, selected trajectories, analysis outputs, and figure-generation scripts associated with the manuscript:

Glassy interphases reinforce elastomeric nanocomposites by enhancing percolation-driven volume expansion under strain

In filled elastomers, nanoparticle additives can dramatically increase stiffness and toughness, yet the molecular origins of this reinforcement have remained debated for decades. A prominent idea is that strong polymer–particle attractions create “glassy bridges” that directly cement particles into a load-bearing network. The data and scripts in this repository accompany a molecular simulation study showing a different picture: glassy interphases do not primarily reinforce by directly supplying elongational cohesion. Instead, they amplify a more fundamental mechanism in which competition between particulate and elastomeric networks increases volume expansion under strain, thereby activating large bulk-modulus contributions to the response.

The repository is organized around two main directories. The `data/` directory contains processed simulation outputs, selected input files, and helper scripts for reproducing simulations and post-processing analyses. The `figures/` directory contains figure-specific plotting scripts and source files for all main-text and supporting-information figures. Simulation datasets are organized by filler structure, filler loading, and filler–polymer attraction strength.

For full repository documentation, directory structure, software prerequisites, and detailed workflow instructions, see the top-level `README.md`.

Associated manuscript: https://arxiv.org/abs/2509.04755