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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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All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Modal decomposition of Hamiltonian variational equations

Over any finite arc of trajectory, the variational equations of a Hamiltonian system can be separated into 'normal' modes. This transformation is canonical, and the Lyapunov exponents over the trajectory arc occur as positive/negative pairs for conjugate modes, while the modal vectors remain unit vectors. This decomposition effectively solves the variational equations for any canonical, linear-dependent system. As an example, we study the Voyager I trajectory. In an interplanetary flyby, some of the modal variables increase by very large multiplicative factors, but this means that their conjugate modal variables decrease by those same very large multiplicative vectors. Maneuver strategies for this case are explored, and the minimum delta upsilon maneuver is found.

Wiesel, William E.↗
NASA NTRS1975

The geometric approach to sets of ordinary differential equations and Hamiltonian dynamics

The calculus of differential forms is used to discuss the local integration theory of a general set of autonomous first order ordinary differential equations. Geometrically, such a set is a vector field V in the space of dependent variables. Integration consists of seeking associated geometric structures invariant along V: scalar fields, forms, vectors, and integrals over subspaces. It is shown that to any field V can be associated a Hamiltonian structure of forms if, when dealing with an odd number of dependent variables, an arbitrary equation of constraint is also added. Families of integral invariants are an immediate consequence. Poisson brackets are isomorphic to Lie products of associated CT-generating vector fields. Hamilton's variational principle follows from the fact that the maximal regular integral manifolds of a closed set of forms must include the characteristics of the set.

Estabrook, F. B.↗
DOE OSTI2018

Inflationary universe in deformed phase space scenario

We consider a noncommutative (NC) inflationary model with a homogeneous scalar field minimally coupled to gravity. The particular NC inflationary setting herein proposed, produces entirely new consequences as summarized in what follows. We first analyze the free field case and subsequently examine the situation where the scalar field is subjected to a polynomial and exponential potentials. We propose to use a canonical deformation between momenta, in a spatially flat Friedmann–Lemaî tre–Robertson–Walker (FLRW) universe, and while the Friedmann equation (Hamiltonian constraint) remains unaffected the Friedmann acceleration equation (and thus the Klein–Gordon equation) is modified by an extra term linear in the NC parameter. This concrete noncommutativity on the momenta allows interesting dynamics that other NC models seem not to allow. Let us be more precise. This extra term behaves as the sole explicit pressure that under the right circumstances implies a period of accelerated expansion of the universe. We find that in the absence of the scalar field potential, and in contrast with the commutative case, in which the scale factor always decelerates, we obtain an inflationary phase for small negative values of the NC parameter. Subsequently, the period of accelerated expansion is smoothly replaced by an appropriate deceleration phase providing an interesting model regarding the graceful exit problem in inflationary models. This last property is present either in the free field case or under the influence of the scalar field potentials considered here. Moreover, in the case of the free scalar field, we show that not only the horizon problem is solved but also there is some resemblance between the evolution equation of the scale factor associated to our model and that for the R{sup 2} (Starobinsky) inflationary model. Therefore, our herein NC model not only can be taken as an appropriate scenario to get a successful kinetic inflation, but also is a convenient setting to obtain inflationary universe possessing the graceful exit when scalar field potentials are present.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Solutions of some problems in applied mathematics using MACSYMA

Various Symbolic Manipulation Programs (SMP) were tested to check the functioning of their commands and suitability under various operating systems. Support systems for SMP were found to be relatively better than the one for MACSYMA. The graphics facilities for MACSYMA do not work as expected under the UNIX operating system. Not all commands for MACSYMA function as described in the manuals. Shape representation is a central issue in computer graphics and computer-aided design. Aside from appearance, there are other application dependent, desirable properties like continuity to certain order, symmetry, axis-independence, and variation-diminishing properties. Several shape representations are studied, which include the Osculatory Method, a Piecewise Cubic Polynomial Method using two different slope estimates, Piecewise Cubic Hermite Form, a method by Harry McLaughlin, and a Piecewise Bezier Method. They are applied to collected physical and chemical data. Relative merits and demerits of these methods are examined. Kinematics of a single link, non-dissipative robot arm is studied using MACSYMA. Lagranian is set-up and Lagrange's equations are derived. From there, Hamiltonian equations of motion are obtained. Equations suggest that bifurcation of solutions can occur, depending upon the value of a single parameter. Using the characteristic function W, the Hamilton-Jacobi equation is derived. It is shown that the H-J equation can be solved in closed form. Analytical solutions to the H-J equation are obtained.

Punjabi, Alkesh↗
DOE OSTI2020

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 ∂ F / ∂ ϵ ≡ [ F , S ] of an arbitrary functional F [ ψ ] of the Vlasov–Maxwell fields ψ = ( f , E , B ) or the ideal MHD fields ψ = ( ρ , u , s , B ) , which are assumed to depend continuously on the (dimensionless) perturbation parameter ϵ . In this study, [ , ] denotes the functional Poisson bracket for each set of plasma equations and the perturbation action functional 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.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1995

Galactic oscillator symmetry

Riemann ellipsoids model rotating galaxies when the galactic velocity field is a linear function of the Cartesian coordinates of the galactic masses. In nuclear physics, the kinetic energy in the linear velocity field approximation is known as the collective kinetic energy. But, the linear approximation neglects intrinsic degrees of freedom associated with nonlinear velocity fields. To remove this limitation, the theory of symplectic dynamical symmetry is developed for classical systems. A classical phase space for a self-gravitating symplectic system is a co-adjoint orbit of the noncompact group SP(3,R). The degenerate co-adjoint orbit is the 12 dimensional homogeneous space Sp(3,R)/U(3), where the maximal compact subgroup U(3) is the symmetry group of the harmonic oscillator. The Hamiltonian equations of motion on each orbit form a Lax system X = (X,F), where X and F are elements of the symplectic Lie algebra. The elements of the matrix X are the generators of the symplectic Lie algebra, viz., the one-body collective quadratic functions of the positions and momenta of the galactic masses. The matrix F is composed from the self-gravitating potential energy, the angular velocity, and the hydostatic pressure. Solutions to the hamiltonian dynamical system on Sp(3,R)/U(3) are given by symplectic isospectral deformations. The Casimirs of Sp(3,R), equal to the traces of powers of X, are conserved quantities.

Rosensteel, George↗
NASA NTRS2003

Optimal Feedback Control of Thermal Networks

An improved approach to the mathematical modeling of feedback control of thermal networks has been devised. Heretofore software for feedback control of thermal networks has been developed by time-consuming trial-and-error methods that depend on engineers expertise. In contrast, the present approach is a systematic means of developing algorithms for feedback control that is optimal in the sense that it combines performance with low cost of implementation. An additional advantage of the present approach is that a thermal engineer need not be expert in control theory. Thermal networks are lumped-parameter approximations used to represent complex thermal systems. Thermal networks are closely related to electrical networks commonly represented by lumped-parameter circuit diagrams. Like such electrical circuits, thermal networks are mathematically modeled by systems of differential-algebraic equations (DAEs) that is, ordinary differential equations subject to a set of algebraic constraints. In the present approach, emphasis is placed on applications in which thermal networks are subject to constant disturbances and, therefore, integral control action is necessary to obtain steady-state responses. The mathematical development of the present approach begins with the derivation of optimal integral-control laws via minimization of an appropriate cost functional that involves augmented state vectors. Subsequently, classical variational arguments provide optimality conditions in the form of the Hamiltonian equations for the standard linear-quadratic-regulator (LQR) problem. These equations are reduced to an algebraic Riccati equation (ARE) with respect to the augmented state vector. The solution of the ARE leads to the direct computation of the optimal proportional- and integral-feedback control gains. In cases of very complex networks, large numbers of state variables make it difficult to implement optimal controllers in the manner described in the preceding paragraph.

Papalexandris, Miltiadis↗
DOE OSTI2023

Effect of environmental screening and strain on optoelectronic properties of two-dimensional quantum defects

Point defects in hexagonal boron nitride (hBN) are promising candidates as single-photon emitters (SPEs) in nanophotonics and quantum information applications. The precise control of SPEs requires in-depth understanding of their optoelectronic properties. However, how the surrounding environment of host materials, including the number of layers, substrates, and strain, influences SPEs has not been fully understood. Here, in this work, we study the dielectric screening effect due to the number of layers and substrates, and the strain effect on the optical properties of carbon dimer and nitrogen vacancy defects in hBN from first-principles many-body perturbation theory. We report that environmental screening causes a lowering of the quasiparticle gap and exciton binding energy, leading to nearly constant optical excitation energy and exciton radiative lifetime. We explain the results with an analytical model starting from the Bethe–Salpeter equation Hamiltonian with Wannier basis. We also show that optical properties of quantum defects are largely tunable by strain with highly anisotropic response, in good agreement with experimental measurements. Our work clarifies the effect of environmental screening and strain on optoelectronic properties of quantum defects in two-dimensional insulators, facilitating future applications of SPEs and spin qubits in low-dimensional systems.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Odd surface waves in two-dimensional incompressible fluids

We consider free surface dynamics of a two-dimensional incompressible fluid with odd viscosity. The odd viscosity is a peculiar part of the viscosity tensor which does not result in dissipation and is allowed when parity symmetry is broken. For the case of incompressible fluids, the odd viscosity manifests itself through the free surface (no stress) boundary conditions. We first find the free surface wave solutions of hydrodynamics in the linear approximation and study the dispersion of such waves. As expected, the surface waves are chiral and even exist in the absence of gravity and vanishing shear viscosity. In this limit, we derive effective nonlinear Hamiltonian equations for the surface dynamics, generalizing the linear solutions to the weakly nonlinear case. Within the small surface angle approximation, the equation of motion leads to a new class of non-linear chiral dynamics governed by what we dub the chiral Burgers equation. The chiral Burgers equation is identical to the complex Burgers equation with imaginary viscosity and an additional analyticity requirement that enforces chirality. We present several exact solutions of the chiral Burgers equation. For generic multiple pole initial conditions, the system evolves to the formation of singularities in a finite time similar to the case of an ideal fluid without odd viscosity. We also obtain a periodic solution to the chiral Burgers corresponding to the non-linear generalization of small amplitude linear waves.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Acoustical theory of turbulence

Fluid functions are expanded in a series of functions constituting a complete and orthogonal system of wave solutions of the linearized Navier-Stokes system. The motion of characteristic waves is described by Hamiltonian equations of ray acoustics. Amplitude of the waves is described with the aid of nonlinear interaction terms. The distribution functions (squares of amplitudes) satisfy Boltzmann-type equations and completely describe the mean turbulence properties.

Kentzer, C. P.↗
DOE OSTI2019

Hamilton–Jacobi analysis for three dimensional gravity without dynamics

Highlights: •We report the HJ. analysis for three dimensional gravity without dynamics. •We report the complete set of Hamiltonians. •The characteristic equations are reported. •The canonical covariant method is performed. •A closed and gauge invariant symplectic structure is constructed. -- Abstract: The Hamilton–Jacobi analysis for gravity without dynamics is performed. We report a detailed analysis where the complete set of Hamilton–Jacobi constraints, the characteristic equations and the gauge transformations of the theory are found. We compare our results with those reported in the literature where alternative approaches are used. In addition, we complete our work by performing the canonical covariant analysis by constructing a gauge invariant symplectic structure, and we find a full consistency between the results obtained from both approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg Hamiltonians

Effective Hamiltonians, which are commonly used for fitting experimental observables, provide a coarse-grained representation of exact many-electron states obtained in quantum chemistry calculations; however, the mapping between the two is not trivial. In this contribution, we apply Bloch’s formalism to equation-of-motion coupled-cluster (EOM-CC) wave functions to rigorously derive effective Hamiltonians in the Bloch’s and des Cloizeaux’ forms. We report the key equations and illustrate the theory by application to systems with two or three unpaired electrons, which give rise to electronic states of covalent and ionic characters. We show that the Hubbard and Heisenberg Hamiltonians can be extracted directly from the so-obtained effective Hamiltonians. By establishing a quantitative connection between many-body states and simple models, the approach facilitates the analysis of the correlated wave functions. We propose a simple diagnostic for assessing the validity of the model space choice based on the overlaps between the target- and model-space states. Finally, artifacts affecting the quality of electronic structure calculations such as spin contamination are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Fourth-order vibrational perturbation theory with the Watson Hamiltonian: Report of working equations and preliminary results

A derivation of fourth-order vibrational perturbation theory (VPT4) based on the Watson Hamiltonian in dimensionless rectilinear normal coordinates is presented. Terms that are linear and cubic in the (n k + 1/2), with n k being the zeroth-order harmonic oscillator quantum numbers, appear in fourth order and extend the much simpler second-order vibrational perturbation theory model. The rather involved expressions for the fourth-order terms are derived with Rayleigh-Schrödinger perturbation theory, the process of verifying their correctness is described, and a computer code to generate the VPT4 constants from the potential energy surface derivatives is provided. Here, the paper concludes with numerical examples featuring the H 2 O, Si 2 C, and cyclic-C 3 H 2 molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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↗
DOE OSTI2019

The Effective Hamiltonian Method in the Thermodynamics of Two Resonantly Interacting Quantum Oscillators

We investigate the classical problem of two resonantly interacting oscillators each of which is coupled to “its own” heat bath based on the effective Hamiltonian method and the quantum stochastic differential equation (in contrast to the well-known “global” and “local” approaches). We show that in the second order of the algebraic perturbation theory, each of the oscillators turns out to be also coupled to the “foreign” heat bath. We calculate the steady-state heat flows and prove that there is no heat flow from the cold heat bath to the hot one, as evidenced by some results of the local approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗