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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 55 records · Page 3

Local conservation of energy in fully implicit PIC algorithms

We consider the issue of strict, fully discrete local energy conservation for a whole class of fully implicit local-charge- and global-energy-conserving particle-in-cell (PIC) algorithms. Earlier studies demonstrated these algorithms feature strict global energy conservation. However, whether a local energy conservation theorem exists (in which the local energy update is governed by a flux balance equation at every mesh cell) for these schemes is unclear. In this study, we show that a local energy conservation theorem indeed exists. We begin our analysis with the 1D electrostatic PIC model without orbit-averaging, and then generalize our conclusions to account for orbit averaging, multiple dimensions, and electromagnetic models (Darwin). In all cases, a temporally, spatially, and particle-discrete local energy conservation theorem is shown to exist, proving that these formulations (as originally proposed in the literature), in addition to being locally charge conserving and globally energy conserving, are strictly locally energy conserving as well. In contrast to earlier proofs of local conservation in the literature, which only considered continuum time, our result is valid for the fully implicit time-discrete version of all models considered, including important features such as orbit averaging. We demonstrate the local-energy-conservation property numerically with a paradigmatic numerical example.

97 MATHEMATICS AND COMPUTING↗

Degenerate coupled-cluster theory

A size-extensive, converging, black-box, ab initio coupled-cluster (ΔCC) ansatz is introduced that computes the energies and wave functions of states from any degenerate or nondegenerate Slater-determinant references with any numbers of α- and β-spin electrons, any patterns of orbital occupancy, any spin multiplicities, and any spatial symmetries. For a nondegenerate reference, it reduces to the single-reference coupled-cluster ansatz. For a degenerate multireference, it is a natural coupled-cluster extension of degenerate Møller–Plesset perturbation (ΔMP) theory. For ionized and electron-attached references, it is a coupled-cluster Green’s function, although the present theory is convergent toward the full-configuration-interaction limits, while the Feynman–Dyson many-body Green’s function (MBGF) theory generally is not. Its single-excitation instance is a projection Hartree–Fock theory as per the Thouless theorem, which may be useful for core ionizations, high-spin states, and possibly electron affinities. Additionally, a new multireference coupled-cluster theory for a general model space is developed. This quasidegenerate coupled-cluster (QCC) theory is exactly converging, but not black-box, and intended for strong correlation. Determinant-based, general-order algorithms of ΔCC and QCC theories are implemented and compared with configuration-interaction (CI) and equation-of-motion coupled-cluster (EOM-CC) theories through octuple excitations and with ΔMP and MBGF theories up to the nineteenth order. An algebraic, optimal-scaling algorithm of the ΔCC theory is computer-synthesized at the levels of single excitations (ΔCCS) and of single and double excitations (ΔCCSD). As a result, the order of performance is QCC ≈ ΔCC > EOM-CC > CI at the same order or QCC ≈ ΔCC > ΔMP > MBGF at the same cost scaling.

Hirata, So [University of Illinois at Urbana-Champ↗

Recovering the QNEC from the ANEC

We study the relative entropy in QFT comparing the vacuum state to a special family of purifications determined by an input state and constructed using relative modular flow. We use this to prove a conjecture by Wall that relates the shape derivative of relative entropy to a variational expression over the averaged null energy (ANE) of possible purifications. Furthermore, this variational expression can be used to easily prove the quantum null energy condition (QNEC). We formulate Wall’s conjecture as a theorem pertaining to operator algebras satisfying the properties of a half-sided modular inclusion, with the additional assumption that the input state has finite averaged null energy. We also give a new derivation of the strong superadditivity property of relative entropy in this con- text. We speculate about possible connections to the recent methods used to strengthen monotonicity of relative entropy with recovery maps.

97 MATHEMATICS AND COMPUTING↗

Improving the geological interpretation of magnetic and gravity satellite anomalies

Quantitative analysis of the geologic component of observed satellite magnetic and gravity fields requires accurate isolation of the geologic component of the observations, theoretically sound and viable inversion techniques, and integration of collateral, constraining geologic and geophysical data. A number of significant contributions were made which make quantitative analysis more accurate. These include procedures for: screening and processing orbital data for lithospheric signals based on signal repeatability and wavelength analysis; producing accurate gridded anomaly values at constant elevations from the orbital data by three-dimensional least squares collocation; increasing the stability of equivalent point source inversion and criteria for the selection of the optimum damping parameter; enhancing inversion techniques through an iterative procedure based on the superposition theorem of potential fields; and modeling efficiently regional-scale lithospheric sources of satellite magnetic anomalies. In addition, these techniques were utilized to investigate regional anomaly sources of North and South America and India and to provide constraints to continental reconstruction. Since the inception of this research study, eleven papers were presented with associated published abstracts, three theses were completed, four papers were published or accepted for publication, and an additional manuscript was submitted for publication.

Hinze, William J.↗

Application of the target decomposition theorem to a polarimetric random media model

With advances in polarimetric radar measurements of land surfaces, the need for understanding the underlying scattering mechanisms and dominant target features has become the focus of many studies. In particular, the maximum use of the polarimetric information to identify and/or separate parameters related to the surface features such as vegetation thickness, structure, water content, and soil surface characteristics will enhance the possibility of using polarimetric radars for monitoring the earth's surface from space. In this paper, Cloude's decomposition theorem is applied to a polarimetric random media model to simulate the radar measurements of vegetated canopies. The vegetated canopies are modeled as a three layer discrete random medium with leaves and branches in the first layer, tree trunks in the second layer, and a half space of homogeneous ground with rough interface as the bottom layer. The distorted born approximation (DBA) has been used to compute full Mueller matrix of the canopy, using canonical dielectric objects such as thin discs and cylinders as leaves, branches, and trunks, respectively. The Mueller matrix and the derived covariance matrix contain information on the second order statistics of radar signals at various polarizations from the canopy. To decompose the covariance matrix to its constituent targets, the eigenvalues and eigenvectors of the covariance matrix are computed in terms of the physical parameters of the canopy. In addition, each eigenvector explicitly shows the scattering mechanisms such as odd and even reflections in the canopy. Cloude's decomposition theorem is applied using the Pauli spin matrices as a basis and an expression for the degree of disorder or the entropy for the vegetated surface is found. Then, the physical parameters estimated from in situ measurements are used in the random media to obtain realistic covariance matrices. As a result, the sensitivity of the eigenvalue spectrums and the coefficients resulting from the target decomposition theorem to the physical parameters of the canopy are examined and the possible use of Cloude's theorem to estimate vegetation and soil parameters is discussed.

Saatchi, Sasan S.↗

A reciprocal theorem for a mixture theory

A dynamic reciprocal theorem for a linearized theory of interacting media is developed. The constituents of the mixture are a linear elastic solid and a linearly viscous fluid. In addition to Steel's field equations, boundary conditions and inequalities on the material constants that have been shown by Atkin, Chadwick and Steel to be sufficient to guarantee uniqueness of solution to initial-boundary value problems are used. The elements of the theory are given and two different boundary value problems are considered. The reciprocal theorem is derived with the aid of the Laplace transform and the divergence theorem and this section is concluded with a discussion of the special cases which arise when one of the constituents of the mixture is absent.

Martin, C. J.↗

Pseudosmooth tribrid inflation in SU(5)

A realistic tribrid model of sneutrino inflation is constructed in an R-symmetric SU(5) grand unified theory (GUT). To avoid the monopole problem, a pseudosmooth inflationary trajectory is generated with the help of an additional Z 5 symmetry which is broken during and after inflation. The predictions of inflationary parameters are made at the central value of the scalar spectral index, n s =0.968. The largest possible value of the tensor to scalar ratio, r ≲ 0.0027, is obtained with sub-Planckian field values (≲m P ). A successful realization of reheating and leptogenesis is achieved by avoiding the gravitino problem with a reheat temperature as low as 10 6 GeV. The predicted range of the gauge symmetry breaking scale, 5 × 10 16 ≲ M/GeV ≲ 5 × 10 17 , turns out to be somewhat larger than the typical GUT scale. Finally, with additional vector-like families, a successful gauge coupling unification is achieved by avoiding the no-go theorem related to R-symmetric SU(5) GUT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Some new results on the statistics of radio wave scintillation. I - Empirical evidence for Gaussian statistics

This paper presents an analysis of ionospheric scintillation data which shows that the underlying statistical structure of the signal can be accurately modeled by the additive complex Gaussian perturbation predicted by the Born approximation in conjunction with an application of the central limit theorem. By making use of this fact, it is possible to estimate the in-phase, phase quadrature, and cophased scattered power by curve fitting to measured intensity histograms. By using this procedure, it is found that typically more than 80% of the scattered power is in phase quadrature with the undeviated signal component. Thus, the signal is modeled by a Gaussian, but highly non-Rician process. From simultaneous UHF and VHF data, only a weak dependence of this statistical structure on changes in the Fresnel radius is deduced. The signal variance is found to have a nonquadratic wavelength dependence. It is hypothesized that this latter effect is a subtle manifestation of locally homogeneous irregularity structures, a mathematical model proposed by Kolmogorov (1941) in his early studies of incompressible fluid turbulence.

Rino, C. L.↗

Optical communication with two-photon coherent states. III - Quantum measurements realizable with photoemissive detectors

Homodyne detection is shown to achieve the same signal-to-noise ratio as the quantum field quadrature measurement, thus providing a receiver which realizes linear modulation TCS performance gain. The full equivalence of homodyne detection and single-quadrature field measurement is established. A heterodyne configuration which uses a TCS image-band oscillator in addition to the usual coherent state local oscillator is studied. Results are obtained by means of a representation theorem which shows that photoemissive detection realizes the photon flux density measurement.

Yuen, H. P.↗

On The Computational Capabilities of Physical Systems: Relationship With Conventional Computer Science - Part 2

In the first of this pair of papers, it was proven that there cannot be a physical computer to which one can properly pose any and all computational tasks concerning the physical universe. It was then further proven that no physical computer C can correctly carry out all computational tasks that can be posed to C. As a particular example, this result means that no physical computer that can, for any physical system external to that computer, take the specification of that external system's state as input and then correctly predict its future state before that future state actually occurs; one cannot build a physical computer that can be assured of correctly "processing information faster than the universe does". These results do not rely on systems that are infinite, and/or non-classical, and/or obey chaotic dynamics. They also hold even if one uses an infinitely fast, infinitely dense computer, with computational powers greater than that of a Turing Machine. This generality is a direct consequence of the fact that a novel definition of computation - "physical computation" - is needed to address the issues considered in these papers, which concern real physical computers. While this novel definition does not fit into the traditional Chomsky hierarchy, the mathematical structure and impossibility results associated with it have parallels in the mathematics of the Chomsky hierarchy. This second paper of the pair presents a preliminary exploration of some of this mathematical structure. Analogues of Chomskian results concerning universal Turing Machines and the Halting theorem are derived, as are results concerning the (im)possibility of certain kinds of error-correcting codes. In addition, an analogue of algorithmic information complexity, "prediction complexity", is elaborated. A task-independent bound is derived on how much the prediction complexity of a computational task can differ for two different reference universal physical computers used to solve that task, a bound similar to the "encoding" bound governing how much the algorithm information complexity of a Turing machine calculation can differ for two reference universal Turing machines. Finally, it is proven that either the Hamiltonian of our universe proscribes a certain type of computation, or prediction complexity is unique (unlike algorithmic information complexity), in that there is one and only version of it that can be applicable throughout our universe.

Wolpert, David H.↗

The free and forced vibrations of structures using the finite dynamic element method

In addition to an extensive review of the literature on exact and corrective displacement based methods of vibration analysis, a few theorems are proven concerning the various structural matrices involved in such analyses. In particular, the consistent mass matrix and the quasi-static mass matrix are shown to be equivalent, in the sense that the terms in their respective Taylor expansions are proportional to one another, and that they both lead to the same dynamic stiffness matrix when used with the appropriate stiffness matrix.

Fergusson, Neil J.↗

Zwanziger’s pairwise little group on the celestial sphere

We generalize Zwanziger’s pairwise little group to include a boost subgroup. We do so by working in the celestial sphere representation of scattering amplitudes. We propose that due to late time soft photon and graviton exchanges, matter particles in the asymptotic states in massless QED and gravity transform under the Poincaré group with an additional pair of pairwise celestial representations for each pair of matter particles. We demonstrate that the massless abelian and gravitational exponentiation theorems are consistent with the proposed pairwise Poincaré transformation properties. For massless QED we demonstrate that our results are consistent with the effects of the Faddeev-Kulish dressing and the abelian exponentiation theorem for celestial amplitudes found in arXiv:2012.04208. We discuss electric and magnetic charges simultaneously as it is especially natural to do so in this formalism.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Fiber Uncertainty Visualization for Bivariate Data With Parametric and Nonparametric Noise Models

Visualization and analysis of multivariate data and their uncertainty are top research challenges in data visualization. Constructing fiber surfaces is a popular technique for multivariate data visualization that generalizes the idea of level-set visualization for univariate data to multivariate data. Here, in this paper, we present a statistical framework to quantify positional probabilities of fibers extracted from uncertain bivariate fields. Specifically, we extend the state-of-the-art Gaussian models of uncertainty for bivariate data to other parametric distributions (e.g., uniform and Epanechnikov) and more general nonparametric probability distributions (e.g., histograms and kernel density estimation) and derive corresponding spatial probabilities of fibers. In our proposed framework, we leverage Green's theorem for closed-form computation of fiber probabilities when bivariate data are assumed to have independent parametric and nonparametric noise. Additionally, we present a nonparametric approach combined with numerical integration to study the positional probability of fibers when bivariate data are assumed to have correlated noise. For uncertainty analysis, we visualize the derived probability volumes for fibers via volume rendering and extracting level sets based on probability thresholds. We present the utility of our proposed techniques via experiments on synthetic and simulation datasets.

97 MATHEMATICS AND COMPUTING↗

Kinematics of the CS method for the treatment of molecular collisions

The problem of the quantum treatment of nonreactive collisions of two simple molecules or of an atom and a molecule is considered mathematically. Kinematical structure theorems analogous to the Wigner-Eckart theorem for scalar operators are derived for the transition operator (T-operator) of a two-molecule system, where, in addition to the usual conservation laws, certain additional conservation laws are presumed satisfied in a collision. The additional conservation laws were examined in order to develop a testable approximation scheme (CS method) for the specification of the kinematics of a system of two rigid diatomic molecules. The rand p-helicity basis states for a two-rigid rotor system are defined and unitary transformations established between these and conventional bases. It is found that only questionable criteria exist for testing the on-the-energy-shell matrix of a T(energy) operator for the presence of properties of two of the additional conservation laws.

Hahne, G. E.↗

Stabilization of a Majorana zero mode through quantum frustration

We analyze a system in which a topological Majorana zero mode (tMZM) combines with a Majorana produced by quantum frustration (fMZM) to produce a novel ground state. The system that we study combines two parts, a grounded topological superconducting wire that hosts two tMZMs at its ends and an on-resonant quantum dot connected to two dissipative leads. The quantum dot with dissipative leads creates an effective two-channel Kondo (2CK) state in which quantum frustration yields an isolated fMZM at the dot. We find that coupling the dot to one end of the topological wire stabilizes the tMZM at the other end. Three routes are used to obtain these results: (i) calculation of the conductance through an auxiliary detector quantum dot, (ii) renormalization group (RG) arguments and the g theorem, and (iii) a fully nonequilibrium calculation of the I(V) curve and shot noise S(V) through the detector dot. In addition to providing a route to achieving an unpaired Majorana zero mode, this scheme provides a clear signature of the presence of the 2CK frustration-induced Majorana.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Classical-Quantum Correspondence by Means of Probability Densities

Within the frame of the recently introduced phase space representation of non relativistic quantum mechanics, we propose a Lagrangian from which the phase space Schrodinger equation can be derived. From that Lagrangian, the associated conservation equations, according to Noether's theorem, are obtained. This shows that one can analyze quantum systems completely in phase space as it is done in coordinate space, without additional complications.

Vegas, Gabino Torres↗

A General Interface Method for Aeroelastic Analysis of Aircraft

The aeroelastic analysis of an aircraft requires an accurate and efficient procedure to couple aerodynamics and structures. The procedure needs an interface method to bridge the gap between the aerodynamic and structural models in order to transform loads and displacements. Such an interface method is described in this report. This interface method transforms loads computed by any aerodynamic code to a structural finite element (FE) model and converts the displacements from the FE model to the aerodynamic model. The approach is based on FE technology in which virtual work is employed to transform the aerodynamic pressures into FE nodal forces. The displacements at the FE nodes are then converted back to aerodynamic grid points on the aircraft surface through the reciprocal theorem in structural engineering. The method allows both high and crude fidelities of both models and does not require an intermediate modeling. In addition, the method performs the conversion of loads and displacements directly between individual aerodynamic grid point and its corresponding structural finite element and, hence, is very efficient for large aircraft models. This report also describes the application of this aero-structure interface method to a simple wing and an MD-90 wing. The results show that the aeroelastic effect is very important. For the simple wing, both linear and nonlinear approaches are used. In the linear approach, the deformation of the structural model is considered small, and the loads from the deformed aerodynamic model are applied to the original geometry of the structure. In the nonlinear approach, the geometry of the structure and its stiffness matrix are updated in every iteration and the increments of loads from the previous iteration are applied to the new structural geometry in order to compute the displacement increments. Additional studies to apply the aero-structure interaction procedure to more complicated geometry will be conducted in the second phase of the present contract.

Tzong, T.↗

Electron and Electron-Nuclear Dynamics of Open Quantum Subsystems

Leveraging an open-subsystem formulation of Density Functional Theory (DFT) we aim at describing periodic and molecular systems alike, including their electronic and nuclear dynamics. Subsystem DFT enables first principles simulations to approach realistic time- and length-scales, and most importantly sheds light on the dynamical behavior of complex systems. Taking subsystem DFT to the time domain allows us to inspect the electron dynamics of condensed-phase systems in real time. In liquids and interfaces, we observe all the relevant regimes proper of non-Markovian open quantum system dynamics, such as electronic energy transfer, and screening. In addition, the ab-initio modeling of system-bath interactions brought us to observe and justify the holographic time-dependent electron density theorem. Contrary to interactions between molecular (finite) systems, when molecules interact with metal or semiconductor surfaces the electron dynamics is strongly non-Markovian with dramatic repercussions to the molecule’s response to external perturbations. Metals and semiconductors typically have large polarizabilities, and even in a regime of low coupling their effect on impinging molecular species is significant–line broadening, peak shift, and intensity borrowing are observed, characterized, and explained in terms of inter-subsystem dynamical interactions and a many-body decomposition of the system’s density-density response function in a way that transcends the canons of Fermi Golden Rule.

33 ADVANCED PROPULSION SYSTEMS↗