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General Theoretical Framework Linking Macroscopic Stress to Microscopic Strand Conformations in Unentangled
Jiaqi Li1, Kai Zhang1, Falin Tian2
1Beijing Institute of Technology, School of Aerospace Engineering, Beijing 100081, China.
Abstract:
Understanding the mechanical response of elastomers requires establishing a direct connection between macroscopic stress and the microscopic conformational statistics of network strands. In this Letter, we develop a unified theoretical framework that quantitatively links macroscopic stress to single-chain mechanics and the conformational statistics of network strands in unentangled elastomers. The framework is validated by extensive molecular dynamics simulations of unentangled elastomers subjected to multiple loading modes, including uniaxial compression, equibiaxial tension, pure shear, and simple shear.
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