Saved in:
| Main Authors: | , |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2605.13703 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Table of Contents:
- Fluctuation formulas for elastic and viscoelastic moduli allow their computation from equilibrium molecular dynamics simulations, avoiding explicit nonequilibrium deformation protocols. While such expressions are well established for the quasi-static moduli, and also the linear dynamic moduli, no fluctuation formula exists for the nonlinear time-dependent moduli that govern anharmonic viscoelastic response under finite time-dependent strains. In this work we derive transient-time correlation function expressions for both the linear and the nonlinear dynamic moduli, starting from the DOLLS/SLLOD equations of motion for irrotational motion. The resulting formulas involve equilibrium time correlations of the stress tensor and Born-kinetic terms, and they recover the known quasi-static and linear dynamic results in the appropriate limits.