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François Gay-Balmaz

Publications and source records attributed to François Gay-Balmaz.

At least 19 recordsLinked to original sources

Stochastic Geometrically Exact Beams: Continuous-Time Geometric Principles and Variational Discretizations

Geometrically exact beams naturally arise in physical phenomena and engineering practice for modeling flexible structures, such as soft robotic manipulators and DNA structures. To the best of our knowledge, there appear to be no geometric integrators for stochastic geometrically exact beams in a variational formulation. In this paper, we introduce variational principles for the dynamics of stochastic geometrically exact beams, in both continuous- and discrete-time settings. By introducing perturbations via stochastic potentials and stochastic kinematics, we derive the equations of motion from a variational viewpoint. The resulting stochastic geometric integrators simultaneously discretize time and space in a parallel manner, which provides a distributed computational framework for solving the stochastic dynamics of complex beam systems. In particular, the proposed integrators are shown to be a stochastic extension of the well-known deterministic staggered leapfrog scheme for the wave equation, and also a stochastic extension of Yee's scheme for spatially one-dimensional computational electromagnetism. Numerical results are shown to demonstrate the effectiveness of the proposed approaches.

math.NA↗

Quantum-classical solvation hydrodynamics: a Hamiltonian modeling framework

We propose a mixed quantum-classical hydrodynamic framework to model short-time inertial effects in the non-adiabatic evolution of a quantum solute coupled to a classical polar solvent. Drawing upon the work of Burghardt and Bagchi [Chem. Phys. 329 (2006), 343], we employ the Hamiltonian approach to incorporate consistent backreaction and preserve quantum decoherence beyond standard Ehrenfest dynamics. The solvent is treated as an ideal polar fluid and the quantum solute state is coupled to both the position and molecular orientation coordinates of the liquid. This approach retains essential solute-solvent correlations while reducing the computational complexity of previous approaches. We further incorporate dissipative terms to capture both inertial effects and polarization relaxation. After establishing the general setting for non-local dielectric continua, the Marcus local approximation is integrated into the model thereby extending traditional solvation theory to account for collective fluid sloshing on fast timescales.

physics.chem-ph↗

A variational formulation of stochastic thermodynamics: Spatially extended systems

Stochastic field theories are often constructed phenomenologically, without a systematic assessment of thermodynamic consistency or local detailed balance. This may hinder a physical description of irreversibility at the field-theoretic level beyond the standard statistical formulation of stochastic thermodynamics. Here, we develop a variational formulation for thermodynamically consistent stochastic field theories by extending Hamilton's principle of classical field theory. Introducing the second law as an axiom yields a consistent local thermodynamic structure in which novel fluctuationdissipation relations emerge naturally, ensuring local detailed balance. Remarkably, the resulting entropy production takes the same form as in standard stochastic thermodynamics, up to a reformulation in an extended phase space incorporating both configurational and thermal variables. This correspondence extends key results, including individual trajectory-level thermodynamics and fluctuation theorems. The construction is formulated within a unified geometric framework based on a generalized Lagrange-d'Alembert principle, providing a top-down connection between phenomenological modeling and thermodynamic consistency. Potential applications include thermodynamically consistent modeling of complex fluids, Lagrangian reduction by symmetry in continuum systems, and structure-preserving numerical schemes for stochastic partial differential equations.

cond-mat.stat-mech↗

Variational Principles for Shock Dynamics in Compressible Euler Flows

Hamilton's principle plays a central role in fluid mechanics as a fundamental tool for deriving governing equations, analyzing conservation laws, and designing structure-preserving numerical schemes. However, its classical formulation is restricted to smooth solutions and does not directly accommodate shock discontinuities. Addressing this limitation within a variational framework has long been a challenging issue. In this paper, we develop a variational framework that extends Hamilton's principle to shock solutions in compressible fluid dynamics. For the barotropic Euler equations, we introduce a modified action principle that incorporates additional contributions localized at discontinuities. This allows the Rankine--Hugoniot conditions for mass and momentum to emerge directly from unrestricted variations, without imposing continuity across shocks. The additional term admits a natural interpretation as a dissipation potential, linking the variational structure to energy loss at shocks. We then extend the approach to the full compressible Euler equations. Using a variational formulation of nonequilibrium thermodynamics together with suitable variational and phenomenological constraints, we recover the Rankine--Hugoniot relations for mass, momentum, and energy. This yields a unified variational description of shock dynamics in compressible fluids and highlights a fundamental distinction between barotropic and full compressible models in the treatment of energy and entropy at discontinuities.

math-ph↗

Variational formulation of stochastic thermodynamics: Finite-dimensional systems

In this paper, we develop a variational foundation for stochastic thermodynamics of finite-dimensional, continuous-time systems. Requiring the second law (non-negative average total entropy production) systematically yields a consistent thermodynamic structure, from which novel generalized fluctuation-dissipation relations emerge naturally, ensuring local detailed balance. This principle extends key results of stochastic thermodynamics including an individual trajectory level description of both configurational and thermal variables and fluctuation theorems in an extended thermodynamic phase space. It applies to both closed and open systems, while accommodating state-dependent parameters, nonlinear couplings between configurational and thermal degrees of freedom, and cross-correlated noise consistent with Onsager symmetry. This is achieved by establishing a unified geometric framework in which stochastic thermodynamics emerges from a generalized Lagrange-d'Alembert principle, building on the variational structure introduced by Gay-Balmaz and Yoshimura [Phil. Trans. R. Soc. A 381, 2256 (2023)]. Irreversible and stochastic forces are incorporated through nonlinear nonholonomic constraints, with entropy treated as an independent dynamical variable. This work provides a novel approach for thermodynamically consistent modeling of stochastic systems, and paves the way to applications in continuum systems such as active and complex fluids.

cond-mat.stat-mech↗

Variational formulation of a general dissipative fluid system with differential forms

This work is devoted to the study of dissipative fluid systems, through the lens of a geometric variational formulation. Building upon previous works extending Hamilton's principle to non-equilibrium thermodynamics, the present method incorporates an arbitrary number of additional variables expressed as differential forms. Dissipation sources, thermodynamic flux closures, and their associated boundary conditions are also all expressed in this differential-form framework. The resulting equations are consistent with the fundamental laws of thermodynamics, namely conservation of total energy and positive entropy production. Onsager's principle is also given a simple formulation, while Curie's principle is revisited within this geometric setting through the lens of representation theory. It is shown that this general framework encompasses physically relevant models, such as multi-species magnetohydrodynamics (MHD) equations with intricate dissipation mechanisms.

math-ph↗

Variational Neural Networks for Observable Thermodynamics (V-NOTS)

Much attention has recently been devoted to data-based computing of evolution of physical systems. In such approaches, information about data points from past trajectories in phase space is used to reconstruct the equations of motion and to predict future solutions that have not been observed before. However, in many cases, the available data does not correspond to the variables that define the system's phase space. We focus our attention on the important example of dissipative dynamical systems. In that case, the phase space consists of coordinates, momenta and entropies; however, the momenta and entropies cannot, in general, be observed directly. To address this difficulty, we develop an efficient data-based computing framework based exclusively on observable variables, by constructing a novel approach based on the thermodynamic Lagrangian, and constructing neural networks that respect the thermodynamics and guarantees the non-decreasing entropy evolution. We show that our network can provide an efficient description of phase space evolution based on a limited number of data points and a relatively small number of parameters in the system.

cs.LG↗

Infinite-dimensional Lagrange-Dirac systems with boundary energy flow I: Foundations

A new geometric approach to systems with boundary energy flow is developed using infinite-dimensional Dirac structures within the Lagrangian formalism. This framework satisfies a list of consistency criteria with the geometric setting of finite-dimensional mechanics. In particular, the infinite-dimensional Dirac structure can be constructed from the canonical symplectic form on the system's phase space; the system's evolution equations can be derived equivalently from either a variational perspective or a Dirac structure perspective; the variational principle employed is a direct extension of Hamilton's principle in classical mechanics; and the approach allows for a process of system interconnection within its formulation. This is achieved by developing an appropriate infinite dimensional version of the previously developed Lagrange-Dirac dynamical systems. A key step in this construction is the careful choice of a suitable dual space to the configuration space, specifically, a subspace of the topological dual that captures the system's behavior in both the interior and the boundary, while allowing for a natural extension of the canonical geometric structures of mechanics. This paper focuses on systems where the configuration space consists of differential forms on a smooth manifold with a boundary. To illustrate our theory, several examples, including nonlinear wave equations, the telegraph equation, and the Maxwell equations are presented.

math.SG↗

Infinite-dimensional Lagrange-Dirac systems with boundary energy flow II: Field theories with bundle-valued forms

Part I of this paper introduced the infinite dimensional Lagrange-Dirac theory for physical systems on the space of differential forms over a smooth manifold with boundary. This approach is particularly well-suited for systems involving energy exchange through the boundary, as it is built upon a restricted dual space -- a vector subspace of the topological dual of the configuration space -- that captures information about both the interior dynamics and boundary interactions. Consequently, the resulting dynamical equations naturally incorporate boundary energy flow. In this second part, the theory is extended to encompass vector-bundle-valued differential forms and non-Abelian gauge theories. To account for two commonly used forms of energy flux and boundary power densities, we introduce two distinct but equivalent formulations of the restricted dual. The results are derived from both geometric and variational viewpoints and are illustrated through applications to matter and gauge field theories. The interaction between gauge and matter fields is also addressed, along with the associated boundary conditions, applied to the case of the Yang-Mills-Higgs equations.

math.SG↗

A Variational Principle for Extended Irreversible Thermodynamics: Heat Conducting Viscous Fluids

Extended irreversible thermodynamics is a theory that expands the classical framework of nonequilibrium thermodynamics by going beyond the local-equilibrium assumption. A notable example of this is the Maxwell-Cattaneo heat flux model, which introduces a time lag in the heat flux response to temperature gradients. In this paper, we develop a variational formulation of the equations of extended irreversible thermodynamics by introducing an action principle for a nonequilibrium Lagrangian that treats thermodynamic fluxes as independent variables. A key feature of this approach is that it naturally extends both Hamilton's principle of reversible continuum mechanics and the earlier variational formulation of classical irreversible thermodynamics. The variational principle is initially formulated in the material (Lagrangian) description, from which the Eulerian form is derived using material covariance (or relabeling symmetries). The tensorial structure of the thermodynamic fluxes dictates the choice of objective rate in the Eulerian description, and plays a central role in the emergence of nonequilibrium stresses - arising from both viscous and thermal effects - that are essential to ensure thermodynamic consistency. This framework naturally results in the Cattaneo-Christov model for heat flux. We also investigate the extension of the approach to accommodate higher-order fluxes and the general form of entropy fluxes. The variational framework presented in this paper has promising applications in the development of structure-preserving and thermodynamically consistent numerical methods. It is particularly relevant for modeling systems where entropy production is a delicate issue that requires careful treatment to ensure consistency with the laws of thermodynamics.

math-ph↗

Structure-preserving and thermodynamically consistent finite element discretization for visco-resistive MHD with thermoelectric effect

We present a structure-preserving and thermodynamically consistent numerical scheme for classical magnetohydrodynamics, incorporating viscosity, magnetic resistivity, heat transfer, and thermoelectric effect. The governing equations are shown to be derived from a generalized Hamilton's principle, with the resulting weak formulation being mimicked at the discrete level. The resulting numerical method conserves mass and energy, satisfies Gauss' magnetic law and magnetic helicity balance, and adheres to the Second Law of Thermodynamics, all at the fully discrete level. It is shown to perform well on magnetic Rayleigh-Bénard convection.

math.NA↗

Entropy functionals and equilibrium states in mixed quantum-classical dynamics

The computational challenges posed by many-particle quantum systems are often overcome by mixed quantum-classical (MQC) models in which certain degrees of freedom are treated as classical while others are retained as quantum. One of the fundamental questions raised by this hybrid picture involves the characterization of the information associated to MQC systems. Based on the theory of dynamical invariants in Hamiltonian systems, here we propose a family of hybrid entropy functionals that consistently specialize to the usual Rényi and Shannon entropies. Upon considering the MQC Ehrenfest model for the dynamics of quantum and classical probabilities, we apply the hybrid Shannon entropy to characterize equilibrium configurations for simple Hamiltonians. The present construction also applies beyond Ehrenfest dynamics.

quant-ph↗

A Discrete Exterior Calculus of Bundle-valued Forms

The discretization of Cartan's exterior calculus of differential forms has been fruitful in a variety of theoretical and practical endeavors: from computational electromagnetics to the development of Finite-Element Exterior Calculus, the development of structure-preserving numerical tools satisfying exact discrete equivalents to Stokes' theorem or the de Rham complex for the exterior derivative have found numerous applications in computational physics. However, there has been a dearth of effort in establishing a more general discrete calculus, this time for differential forms with values in vector bundles over a combinatorial manifold equipped with a connection. In this work, we propose a discretization of the exterior covariant derivative of bundle-valued differential forms. We demonstrate that our discrete operator mimics its continuous counterpart, satisfies the Bianchi identities on simplicial cells, and contrary to previous attempts at its discretization, ensures numerical convergence to its exact evaluation with mesh refinement under mild assumptions.

math.DG↗

Variational integrators for stochastic Hamiltonian systems on Lie groups: properties and convergence

We derive variational integrators for stochastic Hamiltonian systems on Lie groups using a discrete version of the stochastic Hamiltonian phase space principle. The structure-preserving properties of the resulting scheme, such as symplecticity, preservation of the Lie-Poisson structure, preservation of the coadjoint orbits, and conservation of Casimir functions, are discussed, along with a discrete Noether theorem for subgroup symmetries. We also consider in detail the case of stochastic Hamiltonian systems with advected quantities, studying the associated structure-preserving properties in relation to semidirect product Lie groups. A full convergence proof for the scheme is provided for the case of the Lie group of rotations. Several numerical examples are presented, including simulations of the free rigid body and the heavy top.

math.NA↗

General relativistic Lagrangian continuum theories -- Part I: reduced variational principles and junction conditions for hydrodynamics and elasticity

We establish a Lagrangian variational framework for general relativistic continuum theories that permits the development of the process of Lagrangian reduction by symmetry in the relativistic context. Starting with a continuum version of the Hamilton principle for the relativistic particle, we deduce two classes of reduced variational principles that are associated to either spacetime covariance, which is an axiom of the continuum theory, or material covariance, which is related to particular properties of the system such as isotropy. The covariance hypotheses and the Lagrangian reduction process are efficiently formulated by making explicit the dependence of the theory on given material and spacetime tensor fields that are transported by the world-tube of the continuum via the push-forward and pull-back operations. It is shown that the variational formulation, when augmented with the Gibbons-Hawking-York (GHY) boundary terms, also yields the Israel-Darmois junction conditions between the solution at the interior of the relativistic continua and the solution describing the gravity field produced outside from it. The expression of the first variation of the GHY term with respect to the hypersurface involves some extensions of previous results that we also derive in the paper. We consider in details the application of the variational framework to relativistic fluids and relativistic elasticity. For the latter case, our setting also allows to clarify the relation between formulations of relativistic elasticity based on the relativistic right Cauchy-Green tensor or on the relativistic Cauchy deformation tensor. The setting developed here will be further exploited for modelling purpose in subsequent parts of the paper.

math-ph↗

Variational and thermodynamically consistent finite element discretization for heat conducting viscous fluids

Respecting the laws of thermodynamics is crucial for ensuring that numerical simulations of dynamical systems deliver physically relevant results. In this paper, we construct a structure-preserving and thermodynamically consistent finite element method and time-stepping scheme for heat conducting viscous fluids, with general state equations. The method is deduced by discretizing a variational formulation for nonequilibrium thermodynamics that extends Hamilton's principle for fluids to systems with irreversible processes. The resulting scheme preserves the balance of energy and mass to machine precision, as well as the second law of thermodynamics, both at the spatially and temporally discrete levels. The method is shown to apply both with insulated and prescribed heat flux boundary conditions, as well as with prescribed temperature boundary conditions. We illustrate the properties of the scheme with the Rayleigh-Bénard thermal convection. While the focus is on heat conducting viscous fluids, the proposed discrete variational framework paves the way to a systematic construction of thermodynamically consistent discretizations of continuum systems.

math.NA↗

Geometric, Variational, and Bracket Descriptions of Fluid Motion with Open Boundaries

We develop a Lie group geometric framework for the motion of fluids with permeable boundaries that extends Arnold's geometric description of fluid in closed domains. Our setting is based on the classical Hamilton principle applied to fluid trajectories, appropriately amended to incorporate bulk and boundary forces via a Lagrange-d'Alembert approach, and to take into account only the fluid particles present in the fluid domain at a given time. By applying a reduction by relabelling symmetries, we deduce a variational formulation in the Eulerian description that extends the Euler-Poincaré framework to open fluids. On the Hamiltonian side, our approach yields a bracket formulation that consistently extends the Lie-Poisson bracket of fluid dynamics and contains as a particular case a bulk+boundary bracket formulation proposed earlier. We illustrate the geometric framework with several examples, and also consider the extension of this setting to include multicomponent fluids, the consideration of general advected quantities, the analysis of higher-order fluids, and the incorporation of boundary stresses. Open fluids are found in a wide range of physical systems, including geophysical fluid dynamics, porous media, incompressible flow and magnetohydrodynamics. This new formulation permits a description based on geometric mechanics that can be applied to a broad class of models.

math.DS↗

CLPNets: Coupled Lie-Poisson Neural Networks for Multi-Part Hamiltonian Systems with Symmetries

To accurately compute data-based prediction of Hamiltonian systems, especially the long-term evolution of such systems, it is essential to utilize methods that preserve the structure of the equations over time. We consider a case that is particularly challenging for data-based methods: systems with interacting parts that do not reduce to pure momentum evolution. Such systems are essential in scientific computations. For example, any discretization of a continuum elastic rod can be viewed as interacting elements that can move and rotate in space, with each discrete element moving on the group of rotations and translations $SE(3)$. We develop a novel method of data-based computation and complete phase space learning of such systems. We follow the original framework of \emph{SympNets} (Jin et al, 2020) building the neural network from canonical phase space mappings, and transformations that preserve the Lie-Poisson structure (\emph{LPNets}) as in (Eldred et al, 2024). We derive a novel system of mappings that are built into neural networks for coupled systems. We call such networks Coupled Lie-Poisson Neural Networks, or \emph{CLPNets}. We consider increasingly complex examples for the applications of CLPNets: rotation of two rigid bodies about a common axis, the free rotation of two rigid bodies, and finally the evolution of two connected and interacting $SE(3)$ components. Our method preserves all Casimir invariants of each system to machine precision, irrespective of the quality of the training data, and preserves energy to high accuracy. Our method also shows good resistance to the curse of dimensionality, requiring only a few thousand data points for all cases studied, with the effective dimension varying from three to eighteen. Additionally, the method is highly economical in memory requirements, requiring only about 200 parameters for the most complex case considered.

cs.LG↗