Bulk modulus versus temperature data from equilibrium molecular dynamics simulations of a model neat elastomer

Published: 23 February 2026| Version 1 | DOI: 10.17632/rfrb249t77.1
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Description

Bulk modulus versus temperature data from equilibrium molecular dynamics simulations of a model neat elastomer.

Files

Steps to reproduce

sh/ directory contains job submission scripts. inputs/ directory contains lammps inputs scripts. neat/ contains a temperature sweep with 5 replicates each and an input configuration.

Institutions

Categories

Molecular Mechanics with Molecular Dynamics, Elastomeric-Based Composite, Polymer Nanocomposites, Mechanical Deformation, Young's Modulus

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