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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Quantum Phases of Transition Metal Dichalcogenide Moiré Systems

Moiré systems provide a rich platform for studies of strong correlation physics. Recent experiments on heterobilayer transition metal dichalcogenide Moiré systems are exciting in that they manifest a relatively simple model system of an extended Hubbard model on a triangular lattice. Inspired by the prospect of the hetero-transition metal dichalcogenide Moiré system’s potential as a solid-state-based quantum simulator, we explore the extended Hubbard model on the triangular lattice using the density matrix renormalization group. Specifically, we explore the two-dimensional phase space spanned by the key tuning parameters in the extended Hubbard model, namely, the kinetic energy strength and the further-range Coulomb interaction strengths. We find competition between Fermi fluid, chiral spin liquid, spin density wave, and charge order. In particular, our finding of the optimal further-range interaction for the chiral correlation presents a tantalizing possibility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Nonadiabatic Excited-State Molecular Dynamics for Open-Shell Systems

Nonadiabatic Molecular Dynamics (NAMD) of excited states has been widely used in the simulation of photoinduced phenomena. However, the inability to treat bond breaking and forming processes with single-reference electronic structure methods limits their application in photochemistry for extended molecular systems. In this work, the extension of excited-state NAMD for open-shell systems is developed and implemented in the NEXMD software. We present the spin-unrestricted CIS and TDSCF formalism for the ground and excited states, analytical derivatives, and nonadiabatic derivative couplings for the respective potential energy surfaces. Next, this methodology is employed to study the photochemical reaction of three model molecules. The results demonstrate the advantage of the open-shell approach in modeling photochemical reactions, especially involving bond breaking processes. We find that the open-shell method lowers the reaction barrier at the bond-breaking limits resulting in larger calculated photochemical quantum yields compared to the respective closed-shell results. We also address problems related to spin contamination in the open-shell method, especially when molecular geometries are far from equilibrium.

36 MATERIALS SCIENCE↗
NASA NTRS1982

NASA Dryden's experience in parameter estimation and its uses in flight test

An explanation of the parameter estimation method used at the Dryden Flight Research Facility is presented, and an overview is provided of experience related to the employment of this method, taking into account the utilization of this experience in flight tests. According to a definition of the aircraft parameter estimation problem, the system investigated is asumed to be modeled by a set of dynamic equations containing unknown parameters. To determine the values of the unknown parameters, the system is excited by a suitable input, and the input and actual system response are measured. The values of the unknown parameters are then inferred, based on the requirement that the model response to the given input match the actual system response. Examples of parameter estimation in flight test are discussed, giving attention to the F-14 fighter, the HiMAT (high maneuverable aircraft technology) vehicle, and the Space Shuttle.

Iliff, K. W.↗
NASA NTRS2004

Determining Cloud Parameters with the Curve-Of-Growth: Application Eta Car

We have investigated the NUV part of the Eta Car spectrum, using data with high spatial and high spectral resolving power obtained with the HST/STIS under the Treasury Program. The NUV spectrum of Eta Car Shows a great contribution of absorption features from neutral and singly ionized elements along the line-of-sight. A large number of velocity systems have been observed. The two most prominent, with Doppler shifts corresponding to -146 and -513 km/s respectively, are shown to be useful for investigations of the gaseous environments responsible for the absorption. The -146 and the -513 km/s velocity systems display different characteristics regarding the ionization state and spectral line width, which suggest that they originate at different distances from the central object. We have investigated the absorption structures before the spectroscopic minimum, occurring during the summer of 2003, with a standard curve-of-growth. We have independently derived the column density and the b-value for the Fe II (-146 km/s) and Ti II (-513 km/s) velocity systems. The excitation temperature has been determined for the -146 km/s velocity system using the photo-ionization code \textsc(cloudy). The -146 km/s velocity structure shows noticeable variation over the spectroscopic minimum. The sudden appearance and disappearance of Ti II and V II are astonishing. We have made an attempt to analyze these variations with the curve-of-growth method and will present preliminary results.

Vieira, G. L.↗
NASA NTRS2005

ESTIMATION OF THE SPACE SHUTTLE ROLLOUT FORCING FUNCTION

The Space Shuttle Vehicle is assembled in the Vertical Assembly Building (VAB) at Kennedy Space Flight Center in Florida. The Vehicle is stacked on a Mobile Launch Platform (MLP) that weighs eight million pounds. A Crawler Transporter (CT) then carries the MLP and the stacked vehicle (12 million pounds total weight) to the launch complex located 5 miles away. This operation is performed at 0.9 mph resulting in a 4.5-hour transport. A recent test was performed to monitor the dynamic environment that was produced during rollout. It was found that the rollout is a harmonic-rich dynamic environment that was previously not understood. This paper will describe work that has been performed to estimate the forcing function that is produced in the transportation process. The rollout analysis team has determined that there are two families of harmonics of the drive train, which excite the system as a function of CT speed. There are also excitation sources, which are random or narrow-band in frequency and are not a function of CT speed. This presentation will discuss the application of the Sum of Weighted Accelerations Technique (SWAT) to further refine this understanding by estimating the forces and moments at the center-of-mass.

James, George H., III↗
NASA NTRS1974

Design evaluation: S-band exciters

A design evaluation study was conducted to produce S-band exciter (SBE) system to provide a highly stable phase or modulated carrier for transmission to spacecraft. The exciter is part of an S-band receiver/exciter/ranging system at Spaceflight Tracking and Data Network (STDN) ground stations. The major features of the system are defined. Circuit diagrams of the electronic components are provided.

Source record↗
DOE OSTI2021

Control of plasmons in doped topological insulators via basis atoms

Collective excitations in topologically nontrivial systems have attracted considerable attention in recent years. Here we study plasmons in the Su-Schrieffer-Heeger model whose low-energy electronic band is only partially filled, such that the system is metallic. Using the random phase approximation, we calculate the intra- and interband polarization functions and determine the bulk plasmonic dispersion from the dielectric function. In this work, we find that the sublattice basis states strongly affect the polarization functions and therefore control the system’s plasmonic excitations. By varying the real-space separation of these local orbitals, one can thus selectively enhance or suppress the plasmonic energies via a tunable trade-off between intraband and interband screening processes. Specifically, this mechanism can be used to stabilize undamped high energy plasmons that have already been reported in related models. We propose scenarios on how to control and observe these effects in experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Insights on the Influence of the Central-Cut Width of the Box Assembly with Removable Component on Its Dynamical Responses

This investigation focuses on the dynamical effects caused by varying the central-cut width within the Box Assembly with Removable Component (BARC) system. The central-cut widths included in this study are a 0.5″ cut, a 0.25″ cut, a thin 0.1″ cut, and a structure that did not have a cut at all. Finite element analysis was conducted to determine the mode shapes and natural frequencies of each of the BARC structures. Structural dynamics experiments were run to examine the effects of the central-cut width on the dynamical responses and nonlinear characteristics of the BARC system. Free vibration testing with an impact hammer was carried out to excite the system and extract the dominant frequencies and directions of the significant responses. A pseudorandom vibration test that allows for the qualitative determination of any nonlinear behavior within the system was performed. This type of behavior can include nonlinear softening, nonlinear hardening, and the most common, nonlinear damping due to the presence of several bolted-joint connections and the possible activation of geometric and inertia nonlinearities. To quantitatively investigate the impacts of the central-cut width on the dynamics of the system, swept sinusoidal testing was conducted. It is determined that almost all systems with central cuts demonstrate the presence of nonlinear softening, but at times, nonlinear hardening trends are seen, particularly in the 0.1″ cut and no-cut systems when testing harmonically. Each of the central-cut systems displays nonlinear damping, with the amount of damping generally increasing as the central cut decreases in size. The effect of the central cut of the BARC system on the mode-switching ability of the system is negligible; however, mode switching takes place when comparing the central-cut configurations to the no-cut one. These results show the significance of accurately measuring the central-cut width and how geometric uncertainty may change the dynamical responses and nonlinear properties of the system.

Padilla, Christopher (ORCID:000900033446732X)↗
NASA NTRS1992

Identification of system, observer, and controller from closed-loop experimental data

This paper considers the identification problem of a system operating in closed-loop with an existing feedback controller. The closed-loop system is excited by a known excitation signal, and the resulting time histories of the closed-loop system response and the feedback signal are measured. From the time history data, the algorithm computes the Markov parameters of a closed-loop observer, from which the Markov parameters of the individual open-loop plant, observer, and controller are recovered. A state space model of the open-loop plant and the gain matrices for the controller and the observer are then realized. The results of the paper are demonstrated by an example using actual aircraft flutter test data.

Juang, Jer-Nan↗
DOE OSTI2020

Binding and excitations in Si x H y molecular systems using quantum Monte Carlo

In this work, we present high-accuracy correlated calculations of small SixHy molecular systems in both the ground and excited states. We employ quantum Monte Carlo (QMC) together with a variety of many-body wave function approaches based on basis set expansions. The calculations are carried out in a valence-only framework using recently derived correlation consistent effective core potentials. Our primary goal is to understand the fixed-node diffusion QMC errors in both the ground and excited states with single-reference trial wave functions. Using a combination of methods, we demonstrate the very high accuracy of the QMC atomization energies being within ≈0.07 eV or better when compared with essentially exact results. By employing proper choices for trial wave functions, we have found that the fixed-node QMC biases for total energies are remarkably uniform ranging between 1% and 3.5% with absolute values at most ≈0.2 eV across the systems and several types of excitations such as singlets and triplets as well as low-lying and Rydberg-like states. Our results further corroborate that Si systems, and presumably also related main group IV and V elements of the periodic table (Ge, Sn, etc), exhibit some of the lowest fixed-node biases found in valence-only electronic structure QMC calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

High energy-resolution studies of electron impact optical excitation functions. I - The second positive system of N2.

The relative emission cross section for the N2 second positive system (0,0) and (1,0) bands excited by electron impact was measured for incident electron energies from threshold to 17 eV. The use of a high energy-resolution electron spectrometer coupled to an optical detection system made it possible to obtain the measurements with an incident electron beam having an energy half width of 50 meV. Calibration of the incident electron energy was provided by observing the scattering resonances in nitrogen and helium. The maximum of the (0,0) and (1,0) bands were found to be at approximately 14.02 and 14.3 eV, respectively. A small structural feature that was pressure-independent appeared only in the (0,0) band emission cross section. Another such feature was pressure-dependent and appeared more strongly in the (1,0) band cross section.

Finn, T. G.↗
NASA NTRS1976

Electron impact excitation of the Meinel band system of N2/+/

The emission spectrum of the Meinel band system of N2(+) was obtained in the region between 0.72 and 1.6 micrometers by electron impact excitation of N2. The relative excitation function is presented for the (0, 0) band from 22 to 120 eV. Cross sections of the Meinel bands that fall in this region were measured relative to the (2, 0) Meinel band. The results obtained are in good agreement with previously published values below 1.1 micrometers except for the (0, 0) band which is 30% higher. The electronic transition moment at large internuclear distances is found to agree with theoretical estimates.

Mandelbaum, D.↗
NASA NTRS1987

A system identification technique based on the random decrement signatures. Part 1: Theory and simulation

Identification of the system parameters of a randomly excited structure may be treated using a variety of statistical techniques. Of all these techniques, the Random Decrement is unique in that it provides the homogeneous component of the system response. Using this quality, a system identification technique was developed based on a least-squares fit of the signatures to estimate the mass, damping, and stiffness matrices of a linear randomly excited system. The mathematics of the technique is presented in addition to the results of computer simulations conducted to demonstrate the prediction of the response of the system and the random forcing function initially introduced to excite the system.

Bedewi, Nabih E.↗
NASA NTRS1987

Use of the generalized transmission error in the equations of motion of gear systems

The vibratory excitation arising from a gear pair is widely recognized to be a consequence of the nonuniform transmission of motion by the gear pair. In the preceding paper in this issue, it is shown that a three-component transmission error is required to describe the nonuniform transmission of motion by bevel gears for vibration excitation characterization purposes. The expression for the three-component transmission error derived in that paper is combined in the present paper with an analysis of the mesh forces and mesh elasticity to yield an equation of constraint involving the six degree-of-freedom unknown vibratory displacements of the gear shaft centerliners, the three unknown components of the generalized force transmitted by the mesh, and the geometric deviations of the tooth running surfaces from perfect involute surfaces which are assumed known. This matrix equation can be combined with the equations of motion of a gear system to predict the vibratory response of the system to the generalized transmission error excitation arising from meshing gear pairs within the system.

Mark, W. D.↗
DOE OSTI2023

Optical conductivity of multi-Weyl node semimetals due to electromagnetic and axial pseudogauge fields

Here, we compute the optical conductivity of a multi-Weyl semimetal in the presence of electromagnetic and axial fields. In the first part of the paper we use a U(1) gauge field to compute the current of a multi-Weyl semimetal. The current is used in the computation of the optical conductivity within the Kubo-Matsubara formalism. We consider a multi-Weyl semimetal with two nodal points in the z-direction. The multi-Weyl semimetal has a width D in the transverse direction which is smaller than the length L in the longitudinal direction. Due to the width D we replace the model by a sum of transverse modes in 1+1 dimensions. We then regularize the model in 1+1 dimensions. The nodal points are responsible for a constant axial field and a static anomalous Hall effect. In the second part we study the effect of dynamic axial fields. An elastic deformation couples to the two electronic chiralities, and represents the axial pseudogauge field $\vec{a}$ 5 . As a consequence, the system is excited by two kinds of field, the electromagnetic one and the axial srain field. For a Weyl system this is represented by the triangle diagram, which is responsible for the anomalous Hall effect. We can obtain the anomalous Hall effect also by a chiral transformation in 1+1 dimensions using regularization. The chiral transformation modifies the path integration measure and is the source of the induced anomalous Hall effect. The latter is controlled by a combination of strain waves and electromagnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1998

New Estimates of Hydrological and Oceanic Excitations of Variations of Earth's Rotation, Geocenter and Gravitational Field

Hydrological mass transport in the geophysical fluids of the atmosphere-hydrosphere-solid Earth surface system can excite Earth's rotational variations in both length-of-day and polar motion. These effects can be computed in terms of the hydrological angular momentum by proper integration of global meteorological data. We do so using the 40-year NCEP data and the 18-year NASA GEOS-1 data, where the precipitation and evapotranspiration budgets are computed via the water mass balance of the atmosphere based on Oki et al.'s (1995) algorithm. This hydrological mass redistribution will also cause geocenter motion and changes in Earth's gravitational field, which are similarly computed using the same data sets. Corresponding geodynamic effects due to the oceanic mass transports (i.e. oceanic angular momentum and ocean-induced geocenter/gravity changes) have also been computed in a similar manner. We here compare two independent sets of the result from: (1) non-steric ocean surface topography observations based on Topex/Poseidon, and (2) the model output of the mass field by the Parallel Ocean Climate Model. Finally, the hydrological and the oceanic time series are combined in an effort to better explain the observed non-atmospheric effects. The latter are obtained by subtracting the atmospheric angular momentum from Earth rotation observations, and the atmosphere- induced geocenter/gravity effects from corresponding geodetic observations, both using the above-mentioned atmospheric data sets.

Chao, Benjamin F.↗