Supporting Data for "Crosslink Network Heterogeneity and Its Impact on Thermal and Mechanical Properties of Epoxy Nanocomposites"

This dataset accompanies the manuscript “Crosslink Network Heterogeneity and Its Impact on Thermal and Mechanical Properties of Epoxy Nanocomposites.” The deposited files provide numerical data and representative molecular configurations supporting the molecular dynamics analyses reported in the manuscript. The dataset includes: (1) representative equilibrated configurations of the four SiO₂/epoxy nanocomposite systems at 90% crosslinking (300 K) in xsd format; (2) raw mean-squared displacement (MSD) data for the 90% crosslinked systems at 350, 400, 450, and 500 K, including data from six independently generated network replicas together with the corresponding mean and standard deviation; and (3) raw stress–strain raw data for the four 90% crosslinked systems at 400 K used for the mechanical-property analysis.