Abstract
Continuum modeling of dissipative processes in materials often relies on strong phenomenological assumptions, as their derivation from underlying atomistic/particle models remains a major long-standing challenge. Here we show that the continuum evolution equations of a wide class of dissipative phenomena can be numerically obtained (in a discretized form) from fluctuations via an infinite-dimensional fluctuation-dissipation relation. A salient feature of the method is that these continuum equations can be fully pre-computed, enabling macroscopic simulations of arbitrary admissible initial conditions, without the need of any further microscopic simulations. We test this coarse-graining procedure on a one-dimensional non-linear diffusive process with known analytical solution, and obtain an excellent agreement for the density evolution. This illustrative example serves as a blueprint for a new multiscale paradigm, where full dissipative evolution equations — and not only parameters — can be numerically computed from lower scale data.
| Original language | English |
|---|---|
| Pages (from-to) | 240-251 |
| Number of pages | 12 |
| Journal | Journal of the Mechanics and Physics of Solids |
| Volume | 131 |
| DOIs | |
| State | Published - Oct 2019 |
| Externally published | Yes |
Keywords
- Coarse-graining
- Fluctuation-dissipation
- Multiscale
- Non-equilibrium thermodynamics
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