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Cristel Chandre

Publications and source records attributed to Cristel Chandre.

At least 19 recordsLinked to original sources

Hamiltonian hydrodynamic reductions of one-dimensional Vlasov equations

We investigate Hamiltonian fluid reductions of the one-dimensional Vlasov-Poisson equation. Our approach utilizes the hydrodynamic Poisson bracket framework, which allows us to systematically identify fundamental normal variables derived from the analysis of the Casimir invariants of the resulting Poisson bracket. This framework is then applied to analyze several well-established Hamiltonian closures of the onedimensional Vlasov equation, including the multi-delta distribution and the waterbag models. Our key finding is that all of these seemingly distinct closures consistently lead to the formulation of a unified form of parametric closures: When expressed in terms of the identified normal variables, the parameterization across all these closures is revealed to be polynomial and of the same degree. All these parametric closures are uniquely generated from one of the moments, called $\mu$2, a cubic polynomial in the normal variables. This result establishes a structural connection between these different physical models, offering a path toward a more unified and simplified description of the one-dimensional Vlasov-Poisson dynamics through its reduced hydrodynamic forms with an arbitrary number of fluid variables.

math-ph

Extended phase-space symplectic integration for electron dynamics

We investigate the use of extended phase-space symplectic integration for simulating two different classes of electron dynamics. The first one, with one and a half degrees of freedom, comes from plasma physics and describes the classical dynamics of a charged particle in a strong, constant, and uniform magnetic field perturbed by a turbulent electrostatic potential. The second one, with an infinite number of degrees of freedom, comes from physical chemistry and corresponds to Kohn-Sham time-dependent density-functional theory. For both we lay out the extension procedure and stability condition for numerical integration of the dynamics using high-order symplectic split-operator schemes. We also identify a computationally inexpensive metric that can be used for on-the-fly estimation of the accuracy of simulations. Our work paves the way for broad application of symplectic split-operator integration of classical and quantum Hamiltonian systems with finite and infinite number of degrees of freedom by comparing different modes of implementation of extended phase space integration.

physics.comp-ph

Hamiltonian Lorenz-like models

The reduced-complexity models developed by Edward Lorenz are widely used in atmospheric and climate sciences to study nonlinear aspect of dynamics and to demonstrate new methods for numerical weather prediction. A set of inviscid Lorenz models describing the dynamics of a single variable in a zonally-periodic domain, without dissipation and forcing, conserve energy but are not Hamiltonian. In this paper, we start from a general continuous parent fluid model, from which we derive a family of Hamiltonian Lorenz-like models through a symplectic discretization of the associated Poisson bracket that preserves the Jacobi identity. A symplectic-split integrator is also formulated. These Hamiltonian models conserve energy and maintain the nearest-neighbor couplings inherent in the original Lorenz model. As a corollary, we find that the Lorenz-96 model can be seen as a result of a poor discretization of a Poisson bracket. Hamiltonian Lorenz-like models offer promising alternatives to the original Lorenz models, especially for the qualitative representation of non-Gaussian weather extremes and wave interactions, which are key factors in understanding many phenomena of the climate system.

physics.ao-ph

Scars of Kramers-Henneberger atoms

Electron motion in an atom driven by an intense linearly polarized laser field can exhibit a laser-dressed stable state, referred to as the Kramers-Henneberger (KH) state or KH atom. Up to now, the existence conditions of this state rely on the presence of a double well in the KH potential, obtained by averaging the motion over one period of the laser. However, the approximation involved in the averaging is largely invalid in the region of the double well structure; therefore this raises the question of its relevance for identifying signatures of these exotic states. Here we present a method to establish conditions for the existence of the KH atom based on a nonperturbative approach. We show that the KH atom is structured by an asymmetric periodic orbit with the same period as the laser field in a wide range of laser parameters. Its imprint is clearly visible on the wavefunction in quantum simulations. We identify the range of parameters for which this KH state is effective, corresponding to an elliptic periodic orbit.

nlin.CD

QMol-grid: A MATLAB package for quantum-mechanical simulations in atomic and molecular systems

The QMol-grid package provides a suite of routines for performing quantum-mechanical simulations in atomic and molecular systems, currently implemented in one spatial dimension. It supports ground- and excited-state calculations for the Schrodinger equation, density-functional theory, and Hartree-Fock levels of theory as well as propagators for field-free and field-driven time-dependent Schrodinger equation (TDSE) and real-time time-dependent density-functional theory (TDDFT), using symplectic-split schemes. The package is written using MATLAB's object-oriented features and handle classes. It is designed to facilitate access to the wave function(s) (TDSE) and the Kohn-Sham orbitals (TDDFT) within MATLAB's environment.

physics.comp-ph

Transition to super-diffusive transport in turbulent plasmas

We investigate the motion of charged particles in a turbulent electrostatic potential using guiding-center theory. By increasing the Larmor radius, the dynamics exhibit close-to-ballistic transport properties. The transition from diffusive to ballistic transport is analyzed using nonlinear dynamics. It is found that twistless invariant tori in the guiding-center dynamics are responsible for this transition, drastically affecting transport properties of charged particles.

physics.plasm-ph

Nonlinear dynamics of molecular superrotors

We consider a diatomic molecule driven by a linearly polarized laser pulse with a polarization axis rotating with a constant acceleration. This setup is referred to as optical centrifuge, and it is known to lead to high-angular momenta for the molecule (superrotor states) and, possibly, to dissociation. Here we elucidate the dynamical mechanisms behind the creation of superrotor states and their dissociation. We unravel the role of the various parameters of the laser field in these processes by considering reduced Hamiltonian models encapsulating the different phases in the creation of superrotor states, possibly leading to dissociation.

nlin.CD

Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules

We revisit Kohn-Sham time-dependent density-functional theory (TDDFT) equations and show that they derive from a canonical Hamiltonian formalism. We use this geometric description of the TDDFT dynamics to define families of symplectic split-operator schemes that accurately and efficiently simulate the time propagation for certain classes of DFT functionals. We illustrate these with numerical simulations of the far-from-equilibrium electronic dynamics of a one-dimensional carbon chain. In these examples, we find that an optimized 4th order scheme provides a good compromise between the numerical complexity of each time step and the accuracy of the scheme. We also discuss how the Hamiltonian structure changes when using a basis set to discretize TDDFT and the challenges this raises for using symplectic split-operator propagation schemes.

physics.comp-ph

Four-field Hamiltonian fluid closures of the one-dimensional Vlasov-Poisson equation

We consider a reduced dynamics for the first four fluid moments of the onedimensional Vlasov-Poisson equation, namely, the fluid density, fluid velocity, pressure and heat flux. This dynamics depends on an equation of state to close the system. This equation of state (closure) connects the fifth order moment-related to the kurtosis in velocity of the Vlasov distribution-with the first four moments. By solving the Jacobi identity, we derive an equation of state which ensures that the resulting reduced fluid model is Hamiltonian. We show that this Hamiltonian closure allows symmetric homogeneous equilibria of the reduced fluid model to be stable.

nlin.CD

Classical Nambu brackets in higher dimensions

We consider n-linear Nambu brackets in dimension N higher than n. Starting from a Hamiltonian system with a Poisson bracket and K Casimir invariants defined in the phase space of dimension N = K+2M, where M is the number of effective degrees of freedom, we investigate a necessary and sufficient condition for this system to possess n-linear Nambu brackets. For the case of n = 3, by looking for the possible solutions to the fundamental identity, the condition is found to be N = K+2, i.e., the system should have effectively one degree of freedom. Locally, it is shown that there is only one fundamental solution, up to a local change of variables, and this solution is the canonical Nambu bracket, generated by Levi-Civita tensors. These results generalize to the case of n($\ge$ 4)-linear Nambu brackets.

math.DS

Numerical computation of critical surfaces for the breakup of invariant tori in Hamiltonian systems

We compute the critical surface for the existence of invariant tori of a family of Hamiltonian systems with two and three degrees of freedom. We use and compare two methods to compute the critical surfaces: renormalization-group transformations and conjugation in configuration space. We unveil the presence of cusps in the critical surface for the breakup of three-dimensional invariant tori, whereas the critical surface of two-dimensional invariant tori is expected to be smooth.

math.DS

Bogolyubov's averaging theorem applied to the Kramers-Henneberger Hamiltonian

We apply Bogolyubov's averaging theorem to the motion of an electron of an atom driven by a linearly polarized laser field in the Kramers-Henneberger frame. We provide estimates of the differences between the original trajectories and the trajectories associated with the averaged system as a function of the parameters of the laser field and the region of phase space. We formulate a modified Bogolyubov averaging theorem based on the Hamiltonian properties of the system, and show that this version is better suited for these systems. From these estimates, we discuss the validity of the Kramers-Henneberger approximation.

nlin.CD

Hamiltonian fluid reduction of the 1.5D Vlasov-Maxwell equations

We consider the Vlasov-Maxwell equations with one spatial direction and two momenta, one in the longitudinal direction and one in the transverse direction. By solving the Jacobi identity, we derive reduced Hamiltonian fluid models for the density, the fluid momenta and the second order moments, related to the pressure tensor. We also provide the Casimir invariants of the reduced Poisson bracket. We show that the linearization of the equations of motion around homogeneous equilibria reproduces some essential feature of the kinetic model, the Weibel instability.

nlin.CD

Dynamical organization of recollisions by a family of invariant tori

We consider the motion of an electron in an atom subjected to a strong linearly polarized laser field. We identify the invariant structures organizing a very specific subset of trajectories, namely recollisions. Recollisions are trajectories which first escape the ionic core (i.e., ionize) and later return to this ionic core, for instance, to transfer the energy gained during the large excursion away from the core to bound electrons. We consider the role played by the directions transverse to the polarization direction in the recollision process. We compute the family of two-dimensional invariant tori associated with a specific hyperbolic-elliptic periodic orbit and their stable and unstable manifolds. We show that these manifolds organize recollisions in phase space.

math.DS

Notebook articles: towards a transformative publishing experience in nonlinear science

Open Science, Reproducible Research, Findable, Accessible, Interoperable and Reusable (FAIR) data principles are long term goals for scientific dissemination. However, the implementation of these principles calls for a reinspection of our means of dissemination. In our viewpoint, we discuss and advocate, in the context of nonlinear science, how a notebook article represents an essential step toward this objective by fully embracing cloud computing solutions. Notebook articles as scholar articles offer an alternative, efficient and more ethical way to disseminate research through their versatile environment. This format invites the readers to delve deeper into the reported research. Through the interactivity of the notebook articles, research results such as for instance equations and figures are reproducible even for non-expert readers. The codes and methods are available, in a transparent manner, to interested readers. The methods can be reused and adapted to answer additional questions in related topics. The codes run on cloud computing services, which provide easy access, even to low-income countries and research groups. The versatility of this environment provides the stakeholders - from the researchers to the publishers - with opportunities to disseminate the research results in innovative ways.

cs.DL

Hamiltonian formulations for perturbed dissipationless plasma equations

The Hamiltonian formulations for the perturbed Vlasov-Maxwell equations and the perturbed ideal magnetohydrodynamics (MHD) equations are expressed in terms of the perturbation derivative $\partial{\cal F}/\partial\epsilon \equiv [{\cal F}, {\cal S}]$ of an arbitrary functional ${\cal F}[\vb{\psi}]$ of the Vlasov-Maxwell fields $\vb{\psi} = ({\sf f},{\bf E},{\bf B})$ or the ideal MHD fields $\vb{\psi} = (\rho,{\bf u},s,{\bf B})$, which are assumed to depend continuously on the (dimensionless) perturbation parameter $\epsilon$. Here, $[\;,\;]$ denotes the functional Poisson bracket for each set of plasma equations and the perturbation {\it action} functional ${\cal S}$ is said to generate dynamically accessible perturbations of the plasma fields. The new Hamiltonian perturbation formulation introduces a framework for functional perturbation methods in plasma physics and highlights the crucial roles played by polarization and magnetization in Vlasov-Maxwell and ideal MHD perturbation theories. One application considered in this paper is a formulation of plasma stability that guarantees dynamical accessibility and leads to a natural generalization to higher-order perturbation theory.

physics.plasm-ph

Charge Migration Manifests as Attosecond Solitons in Conjugated Organic Molecules

Charge migration is the electronic response that immediately follows localized ionization or excitation in a molecule, before the nuclei have time to move. It typically unfolds on sub-femtosecond time scales and most often corresponds to dynamics far from equilibrium, involving multi-electron interactions in a complex chemical environment. While charge migration has been documented experimentally and theoretically in multiple organic and inorganic compounds, the general mechanism that regulates it remains unsettled. In this work we use tools from nonlinear dynamics to analyze charge migration that takes place along the backbone of conjugated hydrocarbons, which we simulate using time-dependent density functional theory. In this electron-density framework we show that charge migration modes emerge as attosecond solitons and demonstrate the same type of solitary-wave dynamics in both simplified model systems and full three-dimensional molecular simulations. We show that these attosecond-soliton modes result from a balance between dispersion and nonlinear effects tied to time-dependent multi-electron interactions.%Our soliton-mode mechanism, and the nonlinear tools we use to analyze it, pave the way for understanding migration dynamics in a broad range of organic molecules.%For instance, we demonstrate the opportunities for chemically steering charge migration via molecular functionalization, which can alter both the initially localized electron perturbation and its subsequent time evolution.

physics.atm-clus

Double-ionization mechanisms of magnesium driven by electron impact

We study double ionization of Mg by electron impact through the vantage point of classical mechanics. We consider all electron-electron correlations in a Coulomb four-body problem, where three electrons belong to the atom and the fourth electron causes the impact ionization. From our model we compute the double-ionization probability of Mg for impact energies from 15, to 125 eV. Double ionization occurs through eight double-ionization mechanisms, which we classify into four categories: inner shell capture, direct, delay and ionized inner shell mechanisms. We show that delay and ionized inner shell mechanisms require electron-electron correlations among the four electrons, and are responsible for the second increase in the double-ionization probability. Furthermore, we show that our theoretical prediction about the relative prominence of certain double ionization mechanisms is in agreement with experimental results on the relative prominence of non-first- over first-order mechanisms.

physics.atom-ph