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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Symplectic neural network and its application to charged particle dynamics in electromagnetic fields

Recently, machine learning models have shown many successes in various applications in science and technology. In this work, we focus on the charged particle dynamics, with the development of a class of symplectic neural networks, including a linear version, SympMat, and a nonlinear version, HénonNet. Both are designed to preserve the structure of Hamiltonian systems. We show that they can be used to model relevant Hamiltonian systems of interest in plasma physics and astrophysics, for linear and nonlinear charged particle dynamics, with the potential to bridge multi-scale simulations. These symplectic neural networks are adapted to the applications in plasma simulations and particle-wave interaction with parametric dependence and periodicity, where we have investigated their performance and accuracy. In particular, SympMat is shown to outperform the traditional Boris particle pusher down to the sub-gyroperiod scale in the case of charged particles in uniform magnetic fields. HénonNet successfully predicts the hot electron distribution, which is validated against theoretical results. These results highlight the potential of symplectic neural networks as a trajectory integrator for particle-in-cell simulations or a fast surrogate to replace conventional numerical schemes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

Lorentz-covariant dissipative Lagrangian systems

The concept of dissipative Hamiltonian system is converted to Lorentz-covariant form, with evolution generated jointly by two scalar functionals, the Lagrangian action and the global entropy. A bracket formulation yields the local covariant laws of energy-momentum conservation and of entropy production. The formalism is illustrated by a derivation of the covariant Landau kinetic equation.

Kaufman, A. N.↗
DOE OSTI2025

The topology of non-resonant stellarator divertors

We apply topological methods to better understand how the magnetic field in the stellarator edge can be diverted away from the confined region. Our primary method is calculating the winding numbers of closed contours, which gives information on the number and nature of fixed points within a bounded region. We first apply this to the non-resonant divertor Hamiltonian system, and present a simple explanation for the system’s diversion: trajectories are guided away from the confined region by X-points which are ‘unpaired’ i.e. do not have corresponding O-points and therefore do not resemble an island chain. We show how similar phenomena can occur in a similar, axisymmetric Hamiltonian system. Secondly, we find examples of neoclassically optimised stellarators in the quasi-symmetric stellarator repository database which divert the magnetic field via unpaired X-points. We present and discuss three examples, each containing novel phenomena which might be desirable for stellarator divertors. These examples serve as an illustration of new divertor possibilities which exist in realistic stellarators, which may ultimately have application for future experiments and reactors.

X-points, topology↗
DOE OSTI2025

Simulated annealing of reduced magnetohydrodynamic systems

Theory of simulated annealing (SA), a method for equilibrium and stability analyses for Hamiltonian systems, is reviewed. The SA explained in this review is based on a double bracket formulation that derives from Hamiltonian structure. In addition to general theoretical aspects, the explicit formulation as well as numerical applications are presented. Both finite and infinite degree-of-freedom systems are treated, in particular, the heavy top, a toy model mimicking low-beta reduced magnetohydrodynamics (MHD) and low- and high-beta reduced MHD. Furthermore, the numerical results successfully demonstrate the usefulness of SA for equilibrium and stability analyses. At the same time, the results raise some future issues that are discussed in the paper.

Poisson Bracket↗
DOE OSTI2025

On finite-dimensional smoothed-particle Hamiltonian reductions of the Vlasov equation

The inclusion of spatial smoothing in finite-dimensional particle-based Hamiltonian reductions of the Vlasov equation and related models is considered. Here, this work investigates the underlying Hamiltonian structure of such smoothed particle-based methods for Hamiltonian systems and the small-scale regularization such methods implicitly make in approximating the continuum theory. In the context of the Vlasov–Poisson equation and other mean-field Lie–Poisson systems, of which Vlasov–Poisson is a special case, smoothing amounts to a convolutive regularization of the Hamiltonian. This regularization may be interpreted as a change of the inner product structure used to identify the dual space in the Lie–Poisson Hamiltonian formulation. In particular, the shape function used for spatial smoothing may be identified as the kernel function of a reproducing kernel Hilbert space whose inner product is used to define the Lie–Poisson Hamiltonian structure. It is likewise possible to introduce smoothing in the Vlasov–Maxwell system, but in this case the Poisson bracket must be modified rather than the Hamiltonian. The smoothing applied to the Vlasov–Maxwell system is incorporated by inserting smoothing in the map from canonical to kinematic coordinates. In the filtered system, the Lorentz force law and the current, the two terms coupling the Vlasov equation with Maxwell’s equations, are spatially smoothed.

Hamiltonian mechanics↗
NASA NTRS1968

Research in the Restricted Problems of Three and Four Bodies Final Scientific Report

Seven studies have been conducted on research in the existence and nature of solutions of the restricted problems of three and four bodies. The details and results of five of these research investigations have already been published, and the latest two studies will be published shortly. A complete bibliography of publications is included in this report. This research has been primarily qualitative and has yielded new information on the behavior of trajectories near the libration points in the Earth-Moon-Sun and Sun-Jupiter-Saturn systems, and on the existence of periodic trajectories about the libration points of the circular and elliptical restricted four-body models. We have also implemented Birkhoff's normalization process for conservative and nonconservative Hamiltonian systems with equilibrium points. This makes available a technique for analyzing stability properties of certain nonlinear dynamical systems, and we have applied this technique to the circular and elliptical restricted three-body models. A related study was also conducted to determine the feasibility of using cislunar periodic trajectories for various space missions. Preliminary results suggest that this concept is attractive for space flight safety operations in cislunar space. Results of this research will be of interest to mathematicians, particularly those working in ordinary differential equations, dynamical systems and celestial mechanics; to astronomers; and to space guidance and mission analysts.

Richards, Paul B.↗
NASA NTRS1977

Comparison of some optimal control methods for the design of turbine blades

This paper attempts a comparative study of some numerical methods for the optimal control design of turbine blades whose vibration characteristics are approximated by Timoshenko beam idealizations with shear and incorporating simple boundary conditions. The blade was synthesized using the following methods: (1) conjugate gradient minimization of the system Hamiltonian in function space incorporating penalty function transformations, (2) projection operator methods in a function space which includes the frequencies of vibration and the control function, (3) epsilon-technique penalty function transformation resulting in a highly nonlinear programming problem, (4) finite difference discretization of the state equations again resulting in a nonlinear program, (5) second variation methods with complex state differential equations to include damping effects resulting in systems of inhomogeneous matrix Riccatti equations some of which are stiff, (6) quasi-linear methods based on iterative linearization of the state and adjoint equation. The paper includes a discussion of some substantial computational difficulties encountered in the implementation of these techniques together with a resume of work presently in progress using a differential dynamic programming approach.

Desilva, B. M. E.↗
DOE OSTI2024

Unleashed from constrained optimization: quantum computing for quantum chemistry employing generator coordinate inspired method

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized eigenvalue problems through the Unitary Coupled Cluster (UCC) excitation generators. Inspired by the generator coordinate method, we employ these UCC excitation generators to construct non-orthogonal, overcomplete many-body bases, projecting the system Hamiltonian into an effective Hamiltonian, which bypasses issues such as barren plateaus that heuristic numerical minimizers often encountered in standard variational quantum eigensolver (VQE). Diverging from conventional quantum subspace expansion methods, we introduce an adaptive scheme that robustly constructs the many-body basis sets from a pool of the UCC excitation generators. This scheme supports the development of a hierarchical ADAPT quantum-classical strategy, enabling a balanced interplay between subspace expansion and ansatz optimization to address complex, strongly correlated quantum chemical systems cost-effectively, setting the stage for more advanced quantum simulations in chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Robust qubit interactions mediated by photonic topological edge states

Here, we investigate the coupling of two spatially separated qubits via topologically protected edge states in a two-dimensional Hofstadter lattice. In this hybrid platform, the qubits are coupled to distinct edge sites of the lattice, enabling long-range interactions mediated by topological edge modes. We solve the full system Hamiltonian and analyze the resulting eigenstate structure to uncover the conditions under which coherent qubit interactions emerge. Our analysis reveals that the effective coupling is highly sensitive to the qubit placement, energy detuning, and the topological character of the edge spectrum. We obtain an analytical solution that goes beyond the perturbative regime, capturing the full interplay between the qubits and edge modes. These results provide a foundation for exploring information transport and many-body effects in engineered quantum systems where interactions are mediated by topological edge modes.

Chern insulators↗
NASA NTRS1986

Unified control/structure design and modeling research

To demonstrate the applicability of the control theory for distributed systems to large flexible space structures, research was focused on a model of a space antenna which consists of a rigid hub, flexible ribs, and a mesh reflecting surface. The space antenna model used is discussed along with the finite element approximation of the distributed model. The basic control problem is to design an optimal or near-optimal compensator to suppress the linear vibrations and rigid-body displacements of the structure. The application of an infinite dimensional Linear Quadratic Gaussian (LQG) control theory to flexible structure is discussed. Two basic approaches for robustness enhancement were investigated: loop transfer recovery and sensitivity optimization. A third approach synthesized from elements of these two basic approaches is currently under development. The control driven finite element approximation of flexible structures is discussed. Three sets of finite element basic vectors for computing functional control gains are compared. The possibility of constructing a finite element scheme to approximate the infinite dimensional Hamiltonian system directly, instead of indirectly is discussed.

Mingori, D. L.↗
NASA NTRS2006

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗
NASA NTRS1973

Statistical mechanics of negative temperature states

The dynamics of two-dimensional interacting line vortices is identical to that of the two-dimensional electrostatic guiding center plasma. Both are Hamiltonian systems and are therefore susceptible to statistical mechanical treatments. The predictions of the microcanonical ensemble are explored for this system. Interest focuses primarily on the regime of total positive interaction energy, which should be above the Onsager negative temperature threshold. Calculations of the probability distribution for a component by means of the central limit theorem are carried out in the manner of Khinchin. The probability distribution of a component reduced to the usual Gibbs distribution in the regime of positive temperatures, and is still explicitly calculable for negative temperatures. The negative temperature states are neither quiescent nor spatially uniform. Expressions for the temperature are explicitly provided in terms of the total particle energy and particle number. A BBGKY hierarchy can be derived for both temperature regimes. Numerical simulations involving solutions of the equations of motion of 4008 particles are presented.

Montgomery, D. C.↗
NASA NTRS1984

On the topological stability of magnetostatic equilibria

The topological stability of MHD equilibria is investigated by exploring the formal analogy, in the ideal MHD limit, between the topology of magnetic lines of force in coordinate space and the topology of integral surfaces of one- and two-dimensional Hamiltonian systems in phase space. It is demonstrated that in an astrophysical setting, symmetric magnetostatic equilibria satisfying the ideal MHD equations are exceptional. The principal result of the study is that previous infinitesimal perturbation theory calculations can be generalized to include finite-amplitude and symmetry-breaking effects. The effect of the ergodicity of perturbed symmetric equilibria on heat dispersal in magnetically dominated plasmas is discussed.

Tsinganos, K. C.↗
NASA NTRS1985

Meteorites may follow a chaotic route to earth

A numerical integration was employed to show that the 3/1 Kirkwood gap region between Jupiter and the sun can serve as the source for asteroidal debris that strikes the earth as chondrites. A previous study by Wetherill (1968) considered planetary close encounters, secular resonances, collisional destruction in space and subsequent atmospheric abrasion of the chondrites. The factors would have resulted in chaotic trajectories for asteroids in the asteroid belt, i.e., eccentricities large enough to make the objects earth-crossing. A sampling of trajectories which could reach large eccentricities is integrated in terms of deterministic solutions of Hamiltonian systems of equations which behave erratically and are dependent on the initial conditions. The examinations successfully predicted a trajectory with a peak eccentricity of 0.652, a time interval of 340,000 yr, and a semimajor axis between 2.4-2.53 AU that was earth-crossing.

Wisdom, J.↗
NASA NTRS1985

Pattern formation by particles settling in viscous flows

Results are reported of several simulations of the motions of small objects in two-dimensional cellular flows performed to study the evolution of the distributions of particle flows over time in processes such as sedimentation. Stream functions are defined in the form of a Hamiltonian system for the particle motions, with inertial and particle acceleration being neglected. Conditions are found for which the particles will become trapped in an oscillatory motion or the particle orbits attain an oscillary motion. Various simulation images are provided to illustrate the usefulness of the technique for modeling fractal swarms.

Smith, L. A.↗
NASA NTRS1990

Fractal boundaries in magnetotail particle dynamics

It has been recently established that particle dynamics in the magnetotail geometry can be described as a nonintegrable Hamiltonian system with well-defined entry and exit regions through which stochastic orbits can enter and exit the system after repeatedly crossing the equatorial plane. It is shown that the phase space regions occupied by orbits of different numbers of equatorial crossings or different exit modes are separated by fractal boundaries. The fractal boundaries in an entry region for stochastic orbits are examined and the capacity dimension is determined.

Chen, J.↗