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NASA NTRSDate not supplied

Exploring Quantum State Preparation Using Tensor Networks and Sparse Wavefunction Simulations

The variational quantum eigenvalue solver is a powerful hybrid quantum-classical approach that has been suggested as a candidate method to run on near-term quantum hardware for computing ground state electronic energies of molecular systems. However, even for small molecules, the number of variational parameters and qubits required to minimize the electronic energy is beyond the reach of current quantum computers except for small basis sets. We explore a new paradigm for state preparation where we test how much of the optimization can be approximately prepared with classical computers to reduce the number of optimization steps performed using a quantum device. By adapting a recent algorithm for the factorized form of the UCC ansatz, we can study molecular electronic structure problems with up to 64 qubits. In addition, we also test a related approach of using tensor networks to optimize quantum circuits in order to benchmark various lattice models. We present results using these approaches and discuss strategies for incorporating these ideas into variational algorithms involving near-term quantum computers. Our results help demonstrate the strength of the UCC ansatz and address pressing questions about optimal initial parameterizations and circuit construction.

quantum computing↗

NASA NTRS1995

Relaxation approximation in the theory of shear turbulence

Leslie's perturbative treatment of the direct interaction approximation for shear turbulence (Modern Developments in the Theory of Turbulence, 1972) is applied to derive a time dependent model for the Reynolds stresses. The stresses are decomposed into tensor components which satisfy coupled linear relaxation equations; the present theory therefore differs from phenomenological Reynolds stress closures in which the time derivatives of the stresses are expressed in terms of the stresses themselves. The theory accounts naturally for the time dependence of the Reynolds normal stress ratios in simple shear flow. The distortion of wavenumber space by the mean shear plays a crucial role in this theory.

Rubinstein, Robert↗

NASA NTRS1978

Development of a three-dimensional turbulent duct flow analysis

A method for computing three-dimensional turbulent subsonic flow in curved ducts is described. An approximate set of governing equations is given for viscous flows which have a primary flow direction. The derivation is coordinate invariant, and the resulting equations are expressed in terms of tensors. General tube-like coordinates were developed for a general class of geometries applicable to many internal flow problems. The coordinates are then particularized to pipes having superelliptic cross sections whose shape can vary continuously between a circle and a near rectangle. The analysis is applied to a series of relevant aerodynamic problems including transition from nearly square to round pipes and flow through a pipe with an S-shaped bend.

Eiseman, P. R.↗

NASA NTRS1979

Calculation of three-dimensional turbulent subsonic flows in transition ducts

A method for computing three-dimensional turbulent subsonic flow in curved ducts is being developed. A set of tube-like surface oriented coordinates is employed for a general class of geometries applicable to subsonic diffusers with offset bends. The geometric formulation is complex and no previous treatment of this class of viscous flow problems is known to the authors. The duct centerline is a space curve specified by piecewise polynomials. A Frenet frame is located on the centerline at each axial location. The cross sections are described by superellipses imbedded in the Frenet frame. Duct surfaces are also coordinate surfaces, which greatly simplifies the boundary conditions. The resulting coordinates are nonorthogonal. An approximate set of governing equations is employed for viscous flows having strong flow in a primary flow direction. The derivation is coordinate invariant and the resulting equations are expressed in tensor form. These equations are solved by an efficient alternating direction implicit (ADI) method. This numerical method is generally stable and permits solution in difficult geometries using the general tensor formulation.

Levy, R.↗

NASA NTRS1985

A granular flow model for dense planetary rings

In the present study of the viscosity of a differentially rotating particle disk, in the limiting case where the particles are densely packed and their collective behavior resembles that of a liquid, the pressure tensor is derived from both the equations of hydrodynamics and a simple kinetic model of collisions due to Haff (1983). Density waves and narrow circular rings are unstable if the liquid approximation applies, and the consequent nonlinear perturbations may generate 'splashing' of the ring material in the vertical direction. These results are pertinent to the origin of the ellipticities of ringlets, the nonaxisymmetric features near the outer edge of the Saturn B ring, and unexplained residuals in kinematic models of the Saturn and Uranus rings.

Borderies, N.↗

NASA NTRS1994

Consequences of magnetotail ion dynamics

The trajectories of a large ensemble of particles are calculated in a modified Tsyganenko magnetic field model with a uniform cross-tail electric field. The model magnetotail can be divided into several distinct dynamical regimes of ion motion. Near Earth, where the field lines are dipolar the adiabatic formalism is adequate. In the mid-tail and distant tail, guiding-center theory breaks down and must be replaced by a quasi-adiabatic formalism. There is an important transition region between the adiabatic and quasi-adiabatic regions where ion trajectories become more complicated and no simple analytical description holds. This wall region is characterized by rapid ion acceleration and a major loss of particles to the dusk flank. The moments of the ion distribution function are constructued from the ion trajectories, including density, temperature, and pressure in the x-z and x-y planes. In the noon-midnight meridian plane, parameters are relatively constant except near the Earth, while the x-y plots show strong gradients across the magnetotail. Magnetotail plasma convects earthward, drifts toward dusk, and is squeezed out of the tail in the near-Earth region. A thin current sheet forms in the quasi-adiabatic region, and the pressure tensor has significant off-diagonal terms at its edges. These terms are the result of quasi-adiabatic ion trajectories which lead to azimuthally asymmetric distribution functions capable of maintaining approximate stress balance across the current sheet. Simplified analytical descriptions provide further physical insight into ion dynamics that are observed.

Ashour-Abdalla, Maha↗

NASA NTRSDate not supplied

Ab initio ground states of strongly-correlated materials on quantum computers

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.

Antonios M Alvertis↗

NASA NTRS2004

The Acoustic Analogy: A Powerful Tool in Aeroacoustics with Emphasis on Jet Noise Prediction

The acoustic analogy introduced by Lighthill to study jet noise is now over 50 years old. In the present paper, Lighthill s Acoustic Analogy is revisited together with a brief evaluation of the state-of-the-art of the subject and an exploration of the possibility of further improvements in jet noise prediction from analytical methods, computational fluid dynamics (CFD) predictions, and measurement techniques. Experimental Particle Image Velocimetry (PIV) data is used both to evaluate turbulent statistics from Reynolds-averaged Navier-Stokes (RANS) CFD and to propose correlation models for the Lighthill stress tensor. The NASA Langley Jet3D code is used to study the effect of these models on jet noise prediction. From the analytical investigation, a retarded time correction is shown that improves, by approximately 8 dB, the over-prediction of aft-arc jet noise by Jet3D. In experimental investigation, the PIV data agree well with the CFD mean flow predictions, with room for improvement in Reynolds stress predictions. Initial modifications, suggested by the PIV data, to the form of the Jet3D correlation model showed no noticeable improvements in jet noise prediction.

Farassat, F.↗

NASA NTRS1977

Three-dimensional modelling in magnetotelluric and magnetic variational sounding

The Galerkin finite-element method is used to obtain approximate solutions for the three-dimensional induction problem. A rectangular conductive prism is considered as an example, and solutions are obtained for linear and circularly polarized incident plane-wave fields. Magnetotelluric tensor impedances and magnetic transfer functions are computed. Polar diagrams of the tensor impedances and magnetic transfer functions along with their amplitude contour maps are presented. The dimensionality parameter, skew, is contoured at the surface of the earth. It is shown that the relative amplitudes and shapes of the additional and principal impedance polar diagrams can be used to determine the dimensionality of geoelectrical structures. Stations with skew values greater than 0.2 are significantly influenced by the three-dimensionality of the geoelectric structure. The amplitudes of the magnetic transfer function and the orientations of its polar diagrams exhibit large anomalies in the vicinity of the intersection of the lateral contacts.

Reddy, I. K.↗

NASA NTRS1983

Measurement of the inertial constants of a rigid or flexible structure of arbitrary share through a vibration test

The inertial constants of an aircraft rocket, or of any other structure, are defined without materializing any rotating axis. The necessary equipment is very similar to that used normally for ground vibration tests. An elastic suspension is used to obtain the total natural modes corresponding to the motions of the structure as a solid. From the measurements of the generalized masses of these modes it is possible to compute the inertial constants: (1) center of inertia; (2) tensor of inertia; and (3) mass. When the structure is not strictly rigid a purification process, based on the mean square method makes it possible to rigidify it at the price of some approximations and a few more measurements. Eventual additional masses, that are not parts of the structure, can be taken into account.

Engrand, D.↗

NASA NTRS1996

Evaluation of a vortex-based subgrid stress model using DNS databases

The performance of a SubGrid Stress (SGS) model for Large-Eddy Simulation (LES) developed by Misra k Pullin (1996) is studied for forced and decaying isotropic turbulence on a 32(exp 3) grid. The physical viability of the model assumptions are tested using DNS databases. The results from LES of forced turbulence at Taylor Reynolds number R(sub (lambda)) approximately equals 90 are compared with filtered DNS fields. Probability density functions (pdfs) of the subgrid energy transfer, total dissipation, and the stretch of the subgrid vorticity by the resolved velocity-gradient tensor show reasonable agreement with the DNS data. The model is also tested in LES of decaying isotropic turbulence where it correctly predicts the decay rate and energy spectra measured by Comte-Bellot & Corrsin (1971).

Misra, Ashish↗

NASA NTRS2013

A Leonard-Sanders-Budiansky-Koiter-Type Nonlinear Shell Theory with a Hierarchy of Transverse-Shearing Deformations

A detailed exposition on a refined nonlinear shell theory suitable for nonlinear buckling analyses of laminated-composite shell structures is presented. This shell theory includes the classical nonlinear shell theory attributed to Leonard, Sanders, Koiter, and Budiansky as an explicit proper subset. This approach is used in order to leverage the exisiting experience base and to make the theory attractive to industry. In addition, the formalism of general tensors is avoided in order to expose the details needed to fully understand and use the theory. The shell theory is based on "small" strains and "moderate" rotations, and no shell-thinness approximations are used. As a result, the strain-displacement relations are exact within the presumptions of "small" strains and "moderate" rotations. The effects of transverse-shearing deformations are included in the theory by using analyst-defined functions to describe the through-the-thickness distributions of transverse-shearing strains. Constitutive equations for laminated-composite shells are derived without using any shell-thinness approximations, and simplified forms and special cases are presented.

Nemeth, Michael P.↗

NASA NTRS1992

Non-scalar uncertainty: Uncertainty in dynamic systems

The following point is stated throughout the paper: dynamic systems are usually subject to uncertainty, be it the unavoidable quantic uncertainty when working with sufficiently small scales or when working in large scales uncertainty can be allowed by the researcher in order to simplify the problem, or it can be introduced by nonlinear interactions. Even though non-quantic uncertainty can generally be dealt with by using the ordinary probability formalisms, it can also be studied with the proposed non-scalar formalism. Thus, non-scalar uncertainty is a more general theoretical framework giving insight into the nature of uncertainty and providing a practical tool in those cases in which scalar uncertainty is not enough, such as when studying highly nonlinear dynamic systems. This paper's specific contribution is the general concept of non-scalar uncertainty and a first proposal for a methodology. Applications should be based upon this methodology. The advantage of this approach is to provide simpler mathematical models for prediction of the system states. Present conventional tools for dealing with uncertainty prove insufficient for an effective description of some dynamic systems. The main limitations are overcome abandoning ordinary scalar algebra in the real interval (0, 1) in favor of a tensor field with a much richer structure and generality. This approach gives insight into the interpretation of Quantum Mechanics and will have its most profound consequences in the fields of elementary particle physics and nonlinear dynamic systems. Concepts like 'interfering alternatives' and 'discrete states' have an elegant explanation in this framework in terms of properties of dynamic systems such as strange attractors and chaos. The tensor formalism proves especially useful to describe the mechanics of representing dynamic systems with models that are closer to reality and have relatively much simpler solutions. It was found to be wise to get an approximate solution to an accurate model than to get a precise solution to a model constrained by simplifying assumptions. Precision has a very heavy cost in present physical models, but this formalism allows the trade between uncertainty and simplicity. It was found that modeling reality sometimes requires that state transition probabilities should be manipulated as nonscalar quantities, finding at the end that there is always a transformation to get back to scalar probability.

Martinez, Salvador Gutierrez↗

NASA NTRS1974

Research on free and impinging jets for the development of STOL aircraft

The effect of the exit plane conditions on the initial region of an axisymmetric jet was systematically investigated. An essentially top-hat mean velocity profile and a homogeneous turbulence structure were maintained at the exit plane for eight distinct scale and intensity conditions. Mass and momentum flux values are independent of the exit turbulence structure for the range investigated; however, a significant (approximately 25%) increase in the latter implies a pronounced static pressure decrement inside the jet. Details of the velocity profile and turbulence structure are influenced by the exit plane conditions. The three radial-axial components of the Reynolds stress tensor have been conditionally sampled and are analyzed to show the initial condition effects.

Foss, J. F.↗

NASA NTRS1996

Simulation of Two-Fluid Flows by the Least-Squares Finite Element Method Using a Continuum Surface Tension Model

In this paper a numerical procedure for simulating two-fluid flows is presented. This procedure is based on the Volume of Fluid (VOF) method proposed by Hirt and Nichols and the continuum surface force (CSF) model developed by Brackbill, et al. In the VOF method fluids of different properties are identified through the use of a continuous field variable (color function). The color function assigns a unique constant (color) to each fluid. The interfaces between different fluids are distinct due to sharp gradients of the color function. The evolution of the interfaces is captured by solving the convective equation of the color function. The CSF model is used as a means to treat surface tension effect at the interfaces. Here a modified version of the CSF model, proposed by Jacqmin, is used to calculate the tension force. In the modified version, the force term is obtained by calculating the divergence of a stress tensor defined by the gradient of the color function. In its analytical form, this stress formulation is equivalent to the original CSF model. Numerically, however, the use of the stress formulation has some advantages over the original CSF model, as it bypasses the difficulty in approximating the curvatures of the interfaces. The least-squares finite element method (LSFEM) is used to discretize the governing equation systems. The LSFEM has proven to be effective in solving incompressible Navier-Stokes equations and pure convection equations, making it an ideal candidate for the present applications. The LSFEM handles all the equations in a unified manner without any additional special treatment such as upwinding or artificial dissipation. Various bench mark tests have been carried out for both two dimensional planar and axisymmetric flows, including a dam breaking, oscillating and stationary bubbles and a conical liquid sheet in a pressure swirl atomizer.

Wu, Jie↗

NASA NTRS1998

Heat Conduction in Ceramic Coatings: Relationship Between Microstructure and Effective Thermal Conductivity

Analysis of the effective thermal conductivity of ceramic coatings and its relation to the microstructure continued. Results (obtained in Task 1) for the three-dimensional problem of heat conduction in a solid containing an inclusion (or, in particular, cavity - thermal insulator) of the ellipsoidal shape, were further advanced in the following two directions: (1) closed form expressions of H tensor have been derived for special cases of ellipsoidal cavity geometry: spheroid, crack-like spheroidal cavity and needle shaped spheroidal cavity; (2) these results for one cavity have been incorporated to construct heat energy potential for a solid with many spheroidal cavities (in the approximation of non-interacting defects). This problem constitutes a basic building block for further analyses.

Kachanov, Mark↗

NASA NTRS1984

Relativistic dispersion, the cyclotron maser instability, and auroral kilometric radiation

It is demonstrated that relativistic effects can significantly modify the wave dispersion in auroral kilometric radiation (AKR), even for only mildly relativistic electrons, when the ratio of the square of the electron plasma frequeny omega(pe) to the square of the electron cyclotron frequency Omega(e) is much less than one, which is frequently the case in the AKR source region. The k-parallel dispersion relation for waves in a relativistic Maxwellian plasma is considered for the case of omega(pe) much less than Omega(e). The results of Shkarovsky (1966) are used to evaluate the relativistic corrections to the R-X mode cutoff. The general relativistic dispersion tensor is applied to evaluate the dispersion relation for a delta function ring distribution in p-perpendicular, again assuming omega(pe) much less than Omega(e). The effect of finite velocity spread is studied by analyzing the Dory-Guest-Harris distribution in the semirelativistic approximation. The results of computer simulations for ring and shell distributions are presented.

Pritchett, P. L.↗

NASA NTRS1996

Element Library for Three-Dimensional Stress Analysis by the Integrated Force Method

The Integrated Force Method, a recently developed method for analyzing structures, is extended in this paper to three-dimensional structural analysis. First, a general formulation is developed to generate the stress interpolation matrix in terms of complete polynomials of the required order. The formulation is based on definitions of the stress tensor components in term of stress functions. The stress functions are written as complete polynomials and substituted into expressions for stress components. Then elimination of the dependent coefficients leaves the stress components expressed as complete polynomials whose coefficients are defined as generalized independent forces. Such derived components of the stress tensor identically satisfy homogenous Navier equations of equilibrium. The resulting element matrices are invariant with respect to coordinate transformation and are free of spurious zero-energy modes. The formulation provides a rational way to calculate the exact number of independent forces necessary to arrive at an approximation of the required order for complete polynomials. The influence of reducing the number of independent forces on the accuracy of the response is also analyzed. The stress fields derived are used to develop a comprehensive finite element library for three-dimensional structural analysis by the Integrated Force Method. Both tetrahedral- and hexahedral-shaped elements capable of modeling arbitrary geometric configurations are developed. A number of examples with known analytical solutions are solved by using the developments presented herein. The results are in good agreement with the analytical solutions. The responses obtained with the Integrated Force Method are also compared with those generated by the standard displacement method. In most cases, the performance of the Integrated Force Method is better overall.

Kaljevic, Igor↗