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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Calculation of Dynamical Response Functions Using a Bound-State Method

Abstract We investigate a method to extract response functions (dynamical polarisabilities) directly from a bound-state approach applied to calculations of perturbation-induced reactions. The use of a square-integrable basis leads to a response in the form of a sum of $$\delta $$ δ functions. We integrate this over energy and fit a smooth function to the resulting stepwise-continuous one. Its derivative gives the final approximation to the physical response function. We show that the method reproduces analytical results where known, and analyse the details for a variety of models. We apply it to some simple models, using the stochastic variational method as the numerical method. Albeit we find that this approach, and other numerical techniques, have some difficulties with the threshold behavior in coupled-channel problems with multiple thresholds, its stochastic nature allows us to extract robust results even for such cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Data Assimilation Methods for Dynamical Systems [Slides]

Models are not perfect. Observations are not perfect. Data assimilation combines these sources of imperfect information to provide better information. The outline for this presentation is as follows: Introduction to Data Assimilation Variational Methods 3 Kalman Filter Methods Lorenz 96 EnKF Example Data Assimilation Examples

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Active Control of Fan Noise-Feasibility Study. Volume 2: Canceling Noise Source-Design of an Acoustic Plate Radiator Using Piezoceramic Actuators

The feasibility of using acoustic plate radiators powered by piezoceramic thin sheets as canceling sources for active control of aircraft engine fan noise is demonstrated. Analytical and numerical models of actuated beams and plates are developed and validated. An optimization study is performed to identify the optimum combination of design parameters that maximizes the plate volume velocity for a given resonance frequency. Fifteen plates with various plate and actuator sizes, thicknesses, and bonding layers were fabricated and tested using results from the optimization study. A maximum equivalent piston displacement of 0.39 mm was achieved with the optimized plate samples tested with only one actuator powered, corresponding to a plate deflection at the center of over 1 millimeter. This is very close to the deflection required for a full size engine application and represents a 160-fold improvement over previous work. Experimental results further show that performance is limited by the critical stress of the piezoceramic actuator and bonding layer rather than by the maximum moment available from the actuator. Design enhancements are described in detail that will lead to a flight-worthy acoustic plate radiator by minimizing actuator tensile stresses and reducing nonlinear effects. Finally, several adaptive tuning methods designed to increase the bandwidth of acoustic plate radiators are analyzed including passive, active, and semi-active approaches. The back chamber pressurization and volume variation methods are investigated experimentally and shown to be simple and effective ways to obtain substantial control over the resonance frequency of a plate radiator. This study shows that piezoceramic-based plate radiators can be a viable acoustic source for active control of aircraft engine fan noise.

Pla, F. G.↗
NASA NTRS2009

Predicting the Size of Sunspot Cycle 24 on the Basis of Single- and Bi-Variate Geomagnetic Precursor Methods

Examined are single- and bi-variate geomagnetic precursors for predicting the maximum amplitude (RM) of a sunspot cycle several years in advance. The best single-variate fit is one based on the average of the ap index 36 mo prior to cycle minimum occurrence (E(Rm)), having a coefficient of correlation (r) equal to 0.97 and a standard error of estimate (se) equal to 9.3. Presuming cycle 24 not to be a statistical outlier and its minimum in March 2008, the fit suggests cycle 24 s RM to be about 69 +/- 20 (the 90% prediction interval). The weighted mean prediction of 11 statistically important single-variate fits is 116 +/- 34. The best bi-variate fit is one based on the maximum and minimum values of the 12-mma of the ap index; i.e., APM# and APm*, where # means the value post-E(RM) for the preceding cycle and * means the value in the vicinity of cycle minimum, having r = 0.98 and se = 8.2. It predicts cycle 24 s RM to be about 92 +/- 27. The weighted mean prediction of 22 statistically important bi-variate fits is 112 32. Thus, cycle 24's RM is expected to lie somewhere within the range of about 82 to 144. Also examined are the late-cycle 23 behaviors of geomagnetic indices and solar wind velocity in comparison to the mean behaviors of cycles 2023 and the geomagnetic indices of cycle 14 (RM = 64.2), the weakest sunspot cycle of the modern era.

Wilson, Robert M.↗
DOE OSTI2024

Role of momentum in the generator-coordinate method applied to barrier penetration

Nuclear fission at barrier-top energies is conventionally modeled by a one-dimensional Schrödinger equation applied to internal fission channels, but that treatment is hard to justify in the configuration-interaction approach to nuclear Hamiltonians. Here we show that inclusion of states of finite momentum by the generator coordinate method (GCM) considerably extends the range of energies at which GCM-based Hamiltonians could reproduce the Schrödinger treatment. Furthermore, the transmission probabilities for crossing the barrier are calculated by a discrete version of Kohn's variational method, which may also be useful for other systems of interacting fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1971

A Stability Analysis of Cylindrical Panels Using a Finite Element Formulation

A cylindrical finite element suitable for the linear stability analysis of cylindrical shells is developed. Energy principles and variational methods lead to a problem formulation which lends itself to physical interpretations of the governing matrices of the finite element. By properly grouping the terms which result from taking the second variation of the potential energy of the element, it is possible to identify three distinct types of matrices. The first matrix is the conventional stiffness matrix; the second is an initial stress stiffness matrix; and the third is an initial displacement stiffness matrix. With the assumption of linearity, the buckling problem is stated in terms of the classical linear real eigenvalue equation. This problem formulation was programmed on the CDC 6600 series computer. The computer program is used to analyze the buckling of a variety of structures. Columns, arches, flat plates and curved panels with and without cutouts are considered.

Snyder, R. E.↗
NASA NTRS1979

Shape integral method for magnetospheric shapes

A method is developed for calculating the shape of any magnetopause to arbitrarily high precision. The method uses an integral equation which is evaluated for a trial shape. The resulting values of the integral equation as a function of auxiliary variables indicate how close one is to the desired solution. A variational method can then be used to improve the trial shape. Some potential applications are briefly mentioned.

Michel, F. C.↗
DOE OSTI2021

Nonadiabatic couplings from a variational excited state method based on constrained DFT

Excited Costrained Density Functional Theory (XCDFT) is a variational excited state method that extends ground state DFT to the computation of low-lying excited states. It borrows much of the machinery of Constrained DFT (CDFT) with a crucial difference: the constraint imposes a population of one electron in the Hilbert space spanned by the virtuals of a reference ground state. Here, we present theory and implementation for evaluating nonadiabatic coupling vectors (NACVs) between the first excited state computed with XCDFT and the ground state. Our NACVs are computed analytically using density functional perturbation theory with a formalism that is general enough that could be applied to CDFT diabatic states. We showcase the new method with pilot NACV calculations for the conical intersection in H 3 , the avoided crossing in selenoacrolein, and the NACV magnitudes in azobenzene. Despite complications from the nonorthogonality of the wavefunctions, XCDFT’s energy surfaces and NACVs reproduce benchmark values and respect known sum rules within a reasonable degree. This shows that XCDFT is a viable method for nonadiabatic dynamics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2014

Determination of Flaw Size from Thermographic Data

Conventional methods for reducing the pulsed thermographic responses of delaminations tend to overestimate the size of the flaw. Since the heat diffuses in the plane parallel to the surface, the resulting temperature profile over the flaw is larger than the flaw. A variational method is presented for reducing the thermographic data to produce an estimated size for the flaw that is much closer to the true size of the flaw. The size is determined from the spatial thermal response of the exterior surface above the flaw and a constraint on the length of the contour surrounding the flaw. The technique is applied to experimental data acquired on a flat bottom hole composite specimen.

Winfree, William P.↗
DOE OSTI2023

Interaction models and configurational entropies of binary MoTa and the MoNbTaW high entropy alloy

We introduce a simplified method to model the interatomic interactions of high entropy alloys based on a lookup table of cluster energies. Furthermore, these interactions are employed in replica exchange Monte Carlo simulations with histogram analysis to obtain thermodynamic properties across a broad temperature range. Kikuchi's cluster variation method entropy formalism is applied to directly calculate entropy from statistics on short- and long-range chemical order, and we discuss the convergence of the entropy as clusters of differing size are included. A high temperature series expansion aids in our understanding of the convergence. Computer codes implementing these methods, and supporting data, are freely available on the internet.

36 MATERIALS SCIENCE↗
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 OSTI2022

Size Effect of Local Current-Voltage Characteristics of MX 2 Nanoflakes: Local Density of States Reconstruction from Scanning Tunneling Microscopy Experiments

Local current-voltage characteristics for low-dimensional transition-metal dichalcogenides (LDTMD), as well as the reconstruction of their local density of states (LDOS) from scanning tunneling microscopy (STM) experiments, are of fundamental interest and can be useful for advanced applications. Most of the existing models either have limited applicability for complex-shaped LDTMDs (e.g., those based on the Simmons approach) or require solving of an ill-defined integral equation to deconvolute the unknown LDOS (e.g., those based on the Tersoff approach). Using a serial expansion of the Tersoff formulas, we propose a flexible method to reconstruct the LDOS from local current-voltage characteristics measured in STM experiments. We establish a set of key physical parameters, which characterize the tunneling current of a STM-probe–sample contact and the sample LDOS expanded in Gaussian functions. Using a direct variational method coupled with probabilistic analysis, we determine these parameters from the STM experiments for MoS2 nanoflakes with different numbers of layers. The main result is the reconstruction of the LDOS in a relatively wide energy range around the Fermi level, which allows us to gain insight into the local band structure of LDTMDs. The reconstructed LDOS reveal pronounced size effects for the single-layer, two-layer, and three-layer MoS 2 nanoflakes, which we relate to the low dimensionality and strong bending or corrugation of the nanoflakes. We hope that the proposed elaboration of the Tersoff approach, allowing LDOS reconstruction, will be of critical interest for the quantitative description of STM experiments and also of use to better understand the microscopic physical aspects of the surface, strain, and bending contributions to the LDTMDs’ electronic properties.

42 ENGINEERING↗
DOE OSTI2021

Few-nucleon matrix elements in pionless effective field theory in a finite volume

Here, pionless effective field theory in a finite volume (FVEFT $\notπ$ ) is investigated as a framework for the analysis of multinucleon spectra and matrix elements calculated in lattice QCD (LQCD). By combining FVEFT π with the stochastic variational method, the spectra of nuclei with atomic number A ∈ {2, 3} are matched to existing finite-volume LQCD calculations at heavier-than-physical quark masses corresponding to a pion mass m $\notπ$ = 806 MeV , thereby enabling infinite-volume binding energies to be determined using infinite-volume variational calculations. Based on the variational wave functions that are constructed in this approach, the finite-volume matrix elements of various local operators are computed in FVEFT $\notπ$ and matched to LQCD calculations of the corresponding QCD operators in the same volume, thereby determining the relevant one- and two-body effective field theory counterterms and enabling an extrapolation of the LQCD matrix elements to infinite volume. As examples, the scalar, tensor, and axial matrix elements are considered, in addition to the magnetic moments and the isovector longitudinal momentum fraction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1981

Indirect methods for measuring variations of the solar constant

The difference between the methods that measure delta S, and those that measure variations in the solar luminosity, delta L, is discussed. It is shown that the past practice of simply relating delta S to delta L by geometrical arguments is not valid because of anisotropy of the solar radiation. It is concluded that direct techniques prove the existence of short term variability that is fully explainable in terms of the passage of active regions (spots and faculae) on the face of the Sun. The obervations of changes in the solar diameter support the existence of structurally induced variations of the solar luminosity on timescales of tens of years, which are significant in the understanding of climatic variations.

Sofia, S.↗