Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “State Variable”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Stromataxic Stabilization of a Metastable Layered ScFeO3 Polymorph

Metastable polymorphs--materials with the same stoichiometry as the ground state but a different crystal structure--enable many critical technologies. This work describes the development of a stabilization approach for metastable polymorphs that are difficult to achieve through other stabilization techniques (such as epitaxy or quenching) called stromataxy. Stromataxy is a method based on controlling the precursor structure during the initial stages of material growth to dictate phase formation. To illustrate this approach, we controlled the atomic layering of the precursors of ScFeO3 and stabilized the metastable P63cm phase, under conditions that previously led to the ground-state Ia3¯ bixbyite phase. Ab initio mechanistic calculations highlight the importance of the variable oxidation state of Fe and the layer stability during layer-by-layer growth. The broad applicability of a stromataxy approach was demonstrated by stabilizing this metastable phase on substrates that have previously been shown to stabilize other polymorphs under continuous growth. Stromataxy is shown as a viable option for accessing polymorphs that are close in energy, difficult to differentiate by strain, or that lack a well epitaxially matched substrate.

calculations↗
DOE OSTI2014

On readout of vibrational qubits using quantum beats

Readout of the final states of qubits is a crucial step towards implementing quantum computation in experiment. Although not scalable to large numbers of qubits per molecule, computational studies show that molecular vibrations could provide a significant (factor 2–5 in the literature) increase in the number of qubits compared to two-level systems. In this theoretical work, we explore the process of readout from vibrational qubits in thiophosgene molecule, SCCl{sub 2}, using quantum beat oscillations. The quantum beats are measured by first exciting the superposition of the qubit-encoding vibrational states to the electronically excited readout state with variable time-delay pulses. The resulting oscillation of population of the readout state is then detected as a function of time delay. In principle, fitting the quantum beat signal by an analytical expression should allow extracting the values of probability amplitudes and the relative phases of the vibrational qubit states. However, we found that if this procedure is implemented using the standard analytic expression for quantum beats, a non-negligible phase error is obtained. We discuss the origin and properties of this phase error, and propose a new analytical expression to correct the phase error. The corrected expression fits the quantum beat signal very accurately, which may permit reading out the final state of vibrational qubits in experiments by combining the analytic fitting expression with numerical modelling of the readout process. The new expression is also useful as a simple model for fitting any quantum beat experiments where more accurate phase information is desired.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Trigonal Bipyramidal V 3+ Complex as an Optically Addressable Molecular Qubit Candidate

Synthetic chemistry enables a bottom-up approach to quantum information science, where atoms can be deterministically positioned in a quantum bit or qubit. Two key requirements to realize quantum technologies are qubit initialization and read-out. By imbuing molecular spins with optical initialization and readout mechanisms, analogous to solid-state defects, molecules could be integrated into existing quantum infrastructure. To mimic the electronic structure of optically addressable defect sites, we designed the spin-triplet, V 3+ complex, (C 6 F 5 ) 3 trenVCN t Bu (1).We measured the static spin properties as well as the spin coherence time of1demonstrating coherent control of this spin qubit with a 240 GHz electron paramagnetic resonance spectrometer powered by a free electron laser. We found that1exhibited narrow, near-infrared photoluminescence (PL) from a spin-singlet excited state. Using variable magnetic field PL spectroscopy, we resolved emission into each of the ground-state spin sublevels, a crucial component for spin-selective optical initialization and readout. This work demonstrates that trigonally symmetric, heteroleptic V 3+ complexes are candidates for optical spin addressability.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1986

Optimal landing of a helicopter in autorotation

The landing of a helicopter in autorotation is formulated as a nonlinear optimal control problem. A unique feature in the present formulation is the addition of path inequality constraints on both the control and the state vectors. The control variable inequality constraint is a reflection of the limitation on the rotor thrust coefficient. The state-variable inequality constraint is an upper bound on the vertical sink-rate of the helicopter during descent. Optimal trajectories are calculated for entry conditions well within the height-velocity (H-V) restriction curve, with the helicopter initially in hover or in forward flight. The optimal solutions exhibited control techniques similar to those used by helicopter pilots in actual autorotational landings. The study indicates that, subject to pilot acceptability, a substantial reduction could be made in the H-V restriction zone using optimal control techniques.

Lee, A. Y.↗
NASA NTRS2014

Reply to Comment by Laprise on 'the Added Value to Global Model Projections of Climate Change by Dynamical Downscaling: a Case Study over the Continental U.S. Using the GISS-ModelE2 and WRF Models'

In his comment, Laprise raises several points that we agree merit consideration. His primary critique is that our study [Racherla et al., 2012] tested the ability of the WRF regional climate model to reproduce historical temperature and precipitation change relative to the driving global climate model (GCM) using only a single simulation rather than an ensemble. He asserts that the observed changes are smaller than the internal variability in the climate system (i.e., not statistically significant) and that thus a single simulation should not necessarily be able to capture the observations. Laprise points out that the statistical signal is reduced for a multi-decadal trend such as the one we analyzed in comparison with mean climatology and cites two studies showing that for particular climate parameters it can take any years for a signal to be discerned over internal variability. He states that The results of theexperiment as designed were strongly influenced by the presence of internal variability and sampling errors,which masked the rather small climate changes that may have occurred as a consequence of changes inforcing during the period considered. While Laprise discusses statistics in general terms at some length, for the actual climate trends examined in our study, he offers no evidence that the forced signal was smallcompared with internal variability. The two studies he cites [de Ela et al., 2013; Maraun, 2013] do not provide convincing evidence as they concern climate variables averaged over different times and areas. One in fact examines extreme precipitation events, which by definition are rare and thus have a lower significance level. We accept the general point that it is important to consider internal variability, and as noted in our paper we agree that an ensemble of simulations is in principle an optimal, though computationally expensive, approach. While we did not present the statistical significance of the observations in our original paper, we have now evaluated those for the regional temperature trends used in our study to evaluate the added value of WRF and thus can analyze data as to the magnitude of the trends with respect to internal variability.

climate↗
NASA NTRS2012

Phase-Controlled Polarization Modulators

We report technology development of millimeter/submillimeter polarization modulators that operate by introducing a a variable, controlled phase delay between two orthogonal polarization states. The variable-delay polarization modulator (VPM) operates via the introduction of a variable phase delay between two linear orthogonal polarization states, resulting in a variable mapping of a single linear polarization into a combination of that Stokes parameter and circular (Stokes V) polarization. Characterization of a prototype VPM is presented at 350 and 3000 microns. We also describe a modulator in which a variable phase delay is introduced between right- and left- circular polarization states. In this architecture, linear polarization is fully modulated. Each of these devices consists of a polarization diplexer parallel to and in front of a movable mirror. Modulation involves sub-wavelength translations of the mirror that change the magnitude of the phase delay.

Chuss, D. T.↗
DOE OSTI2014

A new limiting procedure for discontinuous Galerkin methods applied to compressible multiphase flows with shocks and interfaces

Although the Discontinuous Galerkin (dg) method has seen widespread use for compressible flow problems in a single fluid with constant material properties, it has yet to be implemented in a consistent fashion for compressible multiphase flows with shocks and interfaces. Specifically, it is challenging to design a scheme that meets the following requirements: conservation, high-order accuracy in smooth regions and non-oscillatory behavior at discontinuities (in particular, material interfaces). Following the interface-capturing approach of Abgrall [1], we model flows of multiple fluid components or phases using a single equation of state with variable material properties; discontinuities in these properties correspond to interfaces. Here, to represent compressible phenomena in solids, liquids, and gases, we present our analysis for equations of state belonging to the Mie–Grüneisen family. Within the dg framework, we propose a conservative, high-order accurate, and non-oscillatory limiting procedure, verified with simple multifluid and multiphase problems. We show analytically that two key elements are required to prevent spurious pressure oscillations at interfaces and maintain conservation: (i) the transport equation(s) describing the material properties must be solved in a non-conservative weak form, and (ii) the suitable variables must be limited (density, momentum, pressure, and appropriate properties entering the equation of state), coupled with a consistent reconstruction of the energy. Further, we introduce a physics-based discontinuity sensor to apply limiting in a solution-adaptive fashion. We verify this approach with one- and two-dimensional problems with shocks and interfaces, including high pressure and density ratios, for fluids obeying different equations of state to illustrate the robustness and versatility of the method. Lastly, the algorithm is implemented on parallel graphics processing units (gpu) to achieve high speedup.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Variability of Photovoltaic Power in the State of Gujarat Using High Resolution Solar Data

India has ambitious goals for high utilization of variable renewable power from wind and solar, and deployment has been proceeding at a rapid pace. The western state of Gujarat currently has the largest amount of solar generation of any Indian state, with over 855 Megawatts direct current (MWDC). Combined with over 3,240 MW of wind, variable generation renewables comprise nearly 18% of the electric-generating capacity in the state. A new historic 10-kilometer (km) gridded solar radiation data set capturing hourly insolation values for 2002-2011 is available for India. We apply an established method for downscaling hourly irradiance data to one-minute irradiance data at potential PV power production locations for one year, 2006. The objective of this report is to characterize the intra-hour variability of existing and planned photovoltaic solar power generation in the state of Gujarat (a total of 1.9 gigawatts direct current (GWDC)), and of five possible expansion scenarios of solar generation that reflect a range of geographic diversity (each scenario totals 500-1,000 MW of additional solar capacity). The report statistically analyzes one year's worth of power variability data, applied to both the baseline and expansion scenarios, to evaluate diurnal and seasonal power fluctuations, different timescales of variability (e.g., from one to 15 minutes), the magnitude of variability (both total megawatts and relative to installed solar capacity), and the extent to which the variability can be anticipated in advance. The paper also examines how Gujarat Energy Transmission Corporation (GETCO) and the Gujarat State Load Dispatch Centre (SLDC) could make use of the solar variability profiles in grid operations and planning.

14 SOLAR ENERGY↗
DOE OSTI2023

Scaling of Floods With Geomorphologic Characteristics and Precipitation Variability Across the Conterminous United States

Abstract Accurate flood risk assessment requires a comprehensive understanding of flood sensitivity to regional drivers and climate factors. This paper presents the scaling of floods (duration, peak, volume) with geomorphologic characteristics of the basin (i.e., drainage area, slope, elevation) and precipitation patterns (rainfall accumulation, variability). Long‐term daily streamflow observations over the 20th and early 21st centuries from Hydro‐Climatic Data Network streamgages across the conterminous United States are used to create a flood event database based on their flood stage information. Antecedent daily rainfall accumulation and variability corresponding to these floods are computed using Global Historical Climatology Network daily data set. Two Bayesian scaling models are developed, and the spatial organization of scaling exponents is investigated. The baseline model quantifies the scaling of floods to geomorphologic characteristics. The dynamic model quantifies the scaling of floods to antecedent precipitation distribution which is further conditioned on geomorphologic characteristics. Results show that small and low‐elevation basins have a stronger response to antecedent rainfall distribution in amplifying flood peaks, while high‐elevation steeper basins have a lower response for flood duration and volume. The dynamic models demonstrate that there are significant variations in the flood scaling rates, with the largest rates up to 40% and 4.5% for flood duration, 64% and 44% for peak, and 98% and 40% for volume found across the Northeast, Coastal Southeast, and Northwest with intensifying rainfall accumulation and variability, respectively. This study advances flood predictions by better informing the flood attributes in the context of dynamical land‐atmosphere perturbations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Predictability and Decadal Variability of the North Atlantic Ocean State Evaluated from a Realistic Ocean Model

This study investigates the excitation of decadal variability and predictability of the ocean climate state in the North Atlantic. Specifically, initial linear optimal perturbations (LOPs) in temperature and salinity that vary with depth, longitude, and latitude are computed, and the maximum impact on the ocean of these perturbations is evaluated in a realistic ocean general circulation model. The computations of the LOPs involve a maximization procedure based on Lagrange multipliers in a nonautonomous context. To assess the impact of these perturbations four different measures of the North Atlantic Ocean state are used: meridional volume and heat transports (MVT and MHT) and spatially averaged sea surface temperature (SST) and ocean heat content (OHC). It is shown that these metrics are dramatically different with regard to predictability. Whereas OHC and SST can be efficiently modified only by basin-scale anomalies, MVT and MHT are also strongly affected by smaller-scale perturbations. This suggests that instantaneous or even annual-mean values of MVT and MHT are less predictable than SST and OHC. Only when averaged over several decades do the former two metrics have predictability comparable to the latter two, which highlights the need for long-term observations of the Atlantic meridional overturning circulation in order to accumulate climatically relevant data. This study also suggests that initial errors in ocean temperature of a few millikelvins, encompassing both the upper and deep ocean, can lead to ~0.1-K errors in the predictions of North Atlantic sea surface temperature on interannual time scales. This transient error growth peaks for SST and OHC after about 6 and 10 years, respectively, implying a potential predictability barrier.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Linking Deep and Shallow Convective Mass Fluxes via an Assumed Entrainment Distribution in CAM5‐CLUBB: Parameterization and Simulated Precipitation Variability

Abstract We modify the Zhang‐McFarlane (ZM) deep convection scheme in the Community Atmosphere Model version 5 to couple it with a unified parameterization for boundary‐layer turbulence and shallow convection, that is, Cloud Layers Unified by Binormals (CLUBB). By assuming a lognormal distribution of entrainment rate across the entire moist convective regimes, we link mass fluxes between shallow and deep convection, which are partitioned by the entrainment rate of the shallowest deep convective plume. Hence, a new deep convective closure is established which is coupled to the sub‐grid vertical motion variability in CLUBB. The convection feedback (or memory) effects are also considered to decrease the entrainment spectrum width and enhance the vertical velocity variability that further affect deep convection. Results show that the revised scheme improves the precipitation simulations in terms of the mean state and variability at various timescales, such as the alleviated double‐intertropical convergence zone and more realistic simulations of the seasonal variation of monsoon precipitation over East Asia, Madden‐Julian Oscillation, and precipitation diurnal phase propagations downstream of large terrains. The improvements are still seen in many aspects such as the mean‐state precipitation when turning off the convection feedback impacts in the revised scheme, emphasizing the benefits of using the modified mass‐flux closure. However, the convection feedbacks have considerable effects on the precipitation diurnal cycle simulations over regions with late‐afternoon precipitation peaks. Overall, the revised scheme provides a unified treatment for sub‐grid vertical motions across regimes of boundary‐layer turbulence, shallow convection, and deep convection, leading to better‐simulated precipitation at various timescales.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Legendre submanifolds in contact manifolds as attractors and geometric nonequilibrium thermodynamics

It has been proposed that equilibrium thermodynamics is described on Legendre submanifolds in contact geometry. It is shown in this paper that Legendre submanifolds embedded in a contact manifold can be expressed as attractors in phase space for a certain class of contact Hamiltonian vector fields. By giving a physical interpretation that points outside the Legendre submanifold can represent nonequilibrium states of thermodynamic variables, in addition to that points of a given Legendre submanifold can represent equilibrium states of the variables, this class of contact Hamiltonian vector fields is physically interpreted as a class of relaxation processes, in which thermodynamic variables achieve an equilibrium state from a nonequilibrium state through a time evolution, a typical nonequilibrium phenomenon. Geometric properties of such vector fields on contact manifolds are characterized after introducing a metric tensor field on a contact manifold. It is also shown that a contact manifold and a strictly convex function induce a lower dimensional dually flat space used in information geometry where a geometrization of equilibrium statistical mechanics is constructed. Legendre duality on contact manifolds is explicitly stated throughout.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An attention-based neural ordinary differential equation framework for modeling inelastic processes

To preserve strictly conservative behavior as well as model the variety of dissipative behavior displayed by solid materials, we propose a significant enhancement to the internal state variable-neural ordinary differential equation (ISV-NODE) framework. In this data-driven, physics-constrained modeling framework internal states are inferred rather than prescribed. The ISV-NODE consists of: (a) a stress model dependent on observable deformation and inferred internal state, and (b) a model of the evolution of the internal states. The enhancements to ISV-NODE proposed in this work are multifold: (a) a partially input convex neural network stress potential provides polyconvexity in terms of observed strain while leaving the inferred state unconstrained, and (b) an internal state flow model uses common latent features to inform novel attention-based gating and drives the flow of internal state only in dissipative regimes. We demonstrated that this architecture can accurately model dissipative and conservative behavior across an isotropic, isothermal elastic-viscoelastic-elastoplastic spectrum with three exemplars, while maintaining fundamental principles by design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Secure quantum remote state preparation of squeezed microwave states

Quantum communication protocols based on nonclassical correlations can be more efficient than known classical methods and offer intrinsic security over direct state transfer. In particular, remote state preparation aims at the creation of a desired and known quantum state at a remote location using classical communication and quantum entanglement. We present an experimental realization of deterministic continuous-variable remote state preparation in the microwave regime over a distance of 35 cm. By employing propagating two-mode squeezed microwave states and feedforward, we achieve the remote preparation of squeezed states with up to 1.6 dB of squeezing below the vacuum level. Finally, security of remote state preparation is investigated by using the concept of the one-time pad and measuring the von Neumann entropies. We find nearly identical values for the entropy of the remotely prepared state and the respective conditional entropy given the classically communicated information and, thus, demonstrate close-to-perfect security.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Hydrogen bonds and dispersion forces serving as molecular locks for tailored Group 11 bis(amidine) complexes

A flexible polydentate bis(amidine) ligand LH 2 , LH 2 = {CH 2 NH( t Bu)C=N-2-(6-MePy)} 2 , operates as a molecular lock for various coinage metal fragments and forms the dinuclear complexes [LH 2 (MCl) 2 ], M = Cu (1), Au (2), the coordination polymer [{(LH 2 ) 2 (py) 2 (AgCl) 3 }(py) 3 ] n (3), and the dimesityl-digold complex [LH 2 (AuMes) 2 ] (4) by formal insertion of MR fragments (M = Cu, Ag, Au; R = Cl, Mes) into the N–H∙∙∙N hydrogen bonds of LH 2 in yields of 43–95%. Complexes 1, 2, and 4 adopt C 2 -symmetrical structures in the solid state featuring two interconnected 11-membered rings that are locked by two intramolecular N–H∙∙∙R–M hydrogen bonds. QTAIM analyses of the computational geometry-optimized structures 1a, 2a, and 4a reveal 13, 11, and 22 additional bond critical points, respectively, all of which are related to weak intramolecular attractive interactions, predominantly representing dispersion forces, contributing to the conformational stabilization of the C2-symmetrical stereoisomers in the solid state. Variable-temperature 1 H NMR spectroscopy in combination with DFT calculations indicate a dynamic conformational interconversion between two C 2 -symmetrical ground state structures in solution (ΔG ‡ c = 11.1–13.8 kcal mol –1 ), which is accompanied by the formation of an intermediate possessing C i symmetry that retains the hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Quantum communications system with integrated photonic devices

Security is increased in quantum communication (QC) systems lacking a true single-photon laser source by encoding a transmitted optical signal with two or more decoy-states. A variable attenuator or amplitude modulator randomly imposes average photon values onto the optical signal based on data input and the predetermined decoy-states. By measuring and comparing photon distributions for a received QC signal, a single-photon transmittance is estimated. Fiber birefringence is compensated by applying polarization modulation. A transmitter can be configured to transmit in conjugate polarization bases whose states of polarization (SOPs) can be represented as equidistant points on a great circle on the Poincare sphere so that the received SOPs are mapped to equidistant points on a great circle and routed to corresponding detectors. Transmitters are implemented in quantum communication cards and can be assembled from micro-optical components, or transmitter components can be fabricated as part of a monolithic or hybrid chip-scale circuit.

36 MATERIALS SCIENCE↗
DOE OSTI2026

First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide Motifs

Proton-conducting oxides (PCOs) are important materials used as ionic conductors for energy conversion technologies. Existing research efforts on PCO optimization and discovery generally focus on complex perovskite-based oxides that require doping and alloying to engineer oxygen deficiency and high proton conductivity. However, the variety of chemical compositions and coordination environments in oxides poses challenges for efficient materials design. In this computational study, we construct a database of simplified motifs to elucidate the relationship between fundamental materials chemistry and proton kinetics. Specifically, we focus on the zincblende crystal structure as a proxy for tetrahedral metal–oxide (M–O) coordination environments. We systematically quantified the effects of cation type, oxidation states, and M–O bond lengths on the proton hopping barrier, and found that strong M–O bonds and metal cations with large and variable oxidation states (e.g., Mo 6+ , V 5+ ) lead to smaller proton hopping barriers. By mapping the candidate cations and their preferred bond geometries onto materials databases such as the Inorganic Crystal Structure Database (ICSD) and Materials Project, we identified real materials containing the corresponding metal–oxide units. In general, we observed good agreement between the calculated proton hopping barriers obtained in real crystal structures and those predicted by our motif database. We also discuss the limitations of our model and possible future extensions to improve its predictive capabilities. Overall, our model provides a first step for the rational design and quick screening of energy-efficient PCOs.

organic↗
DOE OSTI2013

ENERGY-DEPENDENT POWER SPECTRAL STATES AND ORIGIN OF APERIODIC VARIABILITY IN BLACK HOLE BINARIES

We found that the black hole candidate MAXI J1659-152 showed distinct power spectra, i.e., power-law noise (PLN) versus band-limited noise (BLN) plus quasi-periodic oscillations (QPOs) below and above about 2 keV, respectively, in observations with Swift and the Rossi X-ray Timing Explorer during the 2010 outburst, indicating a high energy cutoff of the PLN and a low energy cutoff of the BLN and QPOs around 2 keV. The emergence of the PLN and the fading of the BLN and QPOs initially took place below 2 keV when the source entered the hard intermediate state and settled in the soft state three weeks later. The evolution was accompanied by the emergence of the disk spectral component and decreases in the amplitudes of variability in the soft and hard X-ray bands. Our results indicate that the PLN is associated with an optically thick disk in both hard and intermediate states, and the power spectral state is independent of the X-ray energy spectral state in a broadband view. We suggest that in the hard or intermediate state, the BLN and QPOs emerge from the innermost hot flow subjected to Comptonization, while the PLN originates from the optically thick disk farther out. The energy cutoffs of the PLN and the BLN or QPOs then follow the temperature of the seed photons from the inner edge of the optically thick disk, while the high frequency cutoff of the PLN follows the orbital frequency of the inner edge of the optically thick disk as well.

79 ASTRONOMY AND ASTROPHYSICS↗