Variational Onsager Neural Networks (VONNs): A thermodynamics-based variational learning strategy for non-equilibrium PDEs

S Huang, Z He, C Reina - Journal of the Mechanics and Physics of Solids, 2022 - Elsevier
We propose a thermodynamics-based learning strategy for non-equilibrium evolution
equations based on Onsager's variational principle, which allows us to write such PDEs in …

Deriving a GENERIC system from a Hamiltonian system

A Mielke, MA Peletier, J Zimmer - arXiv preprint arXiv:2404.09284, 2024 - arxiv.org
We reconsider the fundamental problem of coarse-graining infinite-dimensional Hamiltonian
dynamics to obtain a macroscopic system which includes dissipative mechanisms. In …

A statistical mechanics framework for constructing nonequilibrium thermodynamic models

T Leadbetter, PK Purohit, C Reina - PNAS Nexus, 2023 - academic.oup.com
Far-from-equilibrium phenomena are critical to all natural and engineered systems, and
essential to biological processes responsible for life. For over a century and a half, since …

Lack-of-fit reduction in non-equilibrium thermodynamics applied to the Kac–Zwanzig model

K Mladá, M Šípka, M Pavelka - Journal of Non-Equilibrium …, 2024 - degruyter.com
Even when microscopic particle dynamics is purely mechanistic and thus reversible, the
behavior of macroscopic systems composed of those particles is irreversible. In other words …

Excess and loss of entropy production for different levels of coarse graining

P Bilotto, L Caprini, A Vulpiani - Physical Review E, 2021 - APS
We investigate the effect of coarse graining on the thermodynamic properties of a system,
focusing on entropy production. As a case of study, we consider a one-dimensional colloidal …

Statistical-Physics-Informed Neural Networks (Stat-PINNs): A machine learning strategy for coarse-graining dissipative dynamics

S Huang, Z He, N Dirr, J Zimmer, C Reina - … of the Mechanics and Physics of …, 2025 - Elsevier
Abstract Machine learning, with its remarkable ability for retrieving information and
identifying patterns from data, has emerged as a powerful tool for discovering governing …

Discrete defect plasticity and implications for dissipation

A Needleman - European Journal of Mechanics-A/Solids, 2023 - Elsevier
Inelastic deformation of solids is almost always, if not always, associated with the evolution
of discrete defects such as dislocations, vacancies, twins and shear transformation zones …

Particle-based approach to the Eulerian distortion field and its dynamics

M Hütter, M Pavelka - Continuum Mechanics and Thermodynamics, 2023 - Springer
The Eulerian distortion field is an essential ingredient for the continuum modeling of finite
elastic and inelastic deformations of materials; however, its relation to finer levels of …

Comparative Analysis of Fluctuations in Viscoelastic Stress: A Comparison of the Temporary Network and Dumbbell models

A Winters, HC Öttinger, J Vermant - arXiv preprint arXiv:2404.19743, 2024 - arxiv.org
Traditionally, stress fluctuations in flowing and deformed materials are overlooked, with an
obvious focus on average stresses in a continuum mechanical approximation. However …

[HTML][HTML] Transition states and entangled mass action law

AN Gorban - Results in Physics, 2021 - Elsevier
The classical approaches to the derivation of the (generalized) Mass Action Law (MAL)
assume that the intermediate transition state (i) has short life time and (ii) is in partial …