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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 1,531 records · Page 85

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NASA NTRS1993

Preconditioning for the Navier-Stokes equations with finite-rate chemistry

The extension of Van Leer's preconditioning procedure to generalized finite-rate chemistry is discussed. Application to viscous flow is begun with the proper preconditioning matrix for the one-dimensional Navier-Stokes equations. Eigenvalue stiffness is resolved and convergence-rate acceleration is demonstrated over the entire Mach-number range from nearly stagnant flow to hypersonic. Specific benefits are realized at the low and transonic flow speeds typical of complete propulsion-system simulations. The extended preconditioning matrix necessarily accounts for both thermal and chemical nonequilibrium. Numerical analysis reveals the possible theoretical improvements from using a preconditioner for all Mach number regimes. Numerical results confirm the expectations from the numerical analysis. Representative test cases include flows with previously troublesome embedded high-condition-number areas. Van Leer, Lee, and Roe recently developed an optimal, analytic preconditioning technique to reduce eigenvalue stiffness over the full Mach-number range. By multiplying the flux-balance residual with the preconditioning matrix, the acoustic wave speeds are scaled so that all waves propagate at the same rate, an essential property to eliminate inherent eigenvalue stiffness. This session discusses a synthesis of the thermochemical nonequilibrium flux-splitting developed by Grossman and Cinnella and the characteristic wave preconditioning of Van Leer into a powerful tool for implicitly solving two and three-dimensional flows with generalized finite-rate chemistry. For finite-rate chemistry, the state vector of unknowns is variable in length. Therefore, the preconditioning matrix extended to generalized finite-rate chemistry must accommodate a flexible system of moving waves. Fortunately, no new kind of wave appears in the system. The only existing waves are entropy and vorticity waves, which move with the fluid, and acoustic waves, which propagate in Mach number dependent directions. The nonequilibrium vibrational energies and species densities in the unknown state vector act strictly as convective waves. The essential concept for extending the preconditioning to generalized chemistry models is determining the differential variables which symmetrize the flux Jacobians. The extension is then straight-forward. This algorithm research effort will be released in a future version of the production level computational code coined the General Aerodynamic Simulation Program (GASP), developed by Walters, Slack, and McGrory.

Godfrey, Andrew G.↗

NASA NTRS2000

The Impact of ENSO on Extratropical Low Frequency Noise in Seasonal Forecasts

This study examines the uncertainty in forecasts of the January-February-March (JFM) mean extratropical circulation, and how that uncertainty is modulated by the El Nino/Southern Oscillation (ENSO). The analysis is based on ensembles of hindcasts made with an Atmospheric General Circulation Model (AGCM) forced with sea surface temperatures observed during; the 1983 El Nino and 1989 La Nina events. The AGCM produces pronounced interannual differences in the magnitude of the extratropical seasonal mean noise (intra-ensemble variability). The North Pacific, in particular, shows extensive regions where the 1989 seasonal mean noise kinetic energy (SKE), which is dominated by a "PNA-like" spatial structure, is more than twice that of the 1983 forecasts. The larger SKE in 1989 is associated with a larger than normal barotropic conversion of kinetic energy from the mean Pacific jet to the seasonal mean noise. The generation of SKE due to sub-monthly transients also shows substantial interannual differences, though these are much smaller than the differences in the mean flow conversions. An analysis of the Generation of monthly mean noise kinetic energy (NIKE) and its variability suggests that the seasonal mean noise is predominantly a statistical residue of variability resulting from dynamical processes operating on monthly and shorter times scales. A stochastically-forced barotropic model (linearized about the AGCM's 1983 and 1989 base states) is used to further assess the role of the basic state, submonthly transients, and tropical forcing, in modulating the uncertainties in the seasonal AGCM forecasts. When forced globally with spatially-white noise, the linear model generates much larger variance for the 1989 base state, consistent with the AGCM results. The extratropical variability for the 1989 base state is dominanted by a single eigenmode, and is strongly coupled with forcing over tropical western Pacific and the Indian Ocean, again consistent with the AGCM results. Linear calculations that include forcing from the AGCM variance of the tropical forcing and submonthly transients show a small impact on the variability over the Pacific/North American region compared with that of the base state differences.

Schubert, Siegfried D.↗

DOE OSTI2026

XRISM high-resolution X-ray spectroscopy of Cygnus X-1: Orbital and short-term variability of iron absorption

We present the first high-resolution spectroscopy of the black hole high-mass X-ray binary Cygnus X-1 with XRISM, including orbital-phase-resolved analyses and tentative evidence of short-term variability in the Fe K band on second timescales. Using data from the Performance Verification phase in 2024 April, we analyzed spectral variability across orbital phases with the Resolve microcalorimeter and the Xtend CCD imager. The unprecedented resolution of Resolve reveals variability in highly ionized Fe absorption lines. The absorption features show orbital-phase-dependent variability in column density, ionization state, and blueshifted velocity, suggesting structural variations in the focused stellar wind along the line of sight. We also find indications of subtle broadening of the neutral Fe emission profile. In addition, intensity-sorted spectroscopy during dip phases suggests possible variability on timescales of a few seconds in the absorption features, consistent with cooler, denser, and lower-ionized gas clumps. Although the statistical significance is limited, these results hint that the stellar wind and the X-rays from the accretion disk around the black hole may interact on timescales as short as a few seconds. These XRISM results constrain wind-fed accretion in Cyg X-1 and highlight Resolve’s capability to probe plasma environments in high-mass X-ray binaries.

Astronomy and AstroPhysics↗

DOE OSTI2022

Path Integrals for Nonadiabatic Dynamics: Multistate Ring Polymer Molecular Dynamics

This review focuses on a recent class of path-integral-based methods for the simulation of nonadiabatic dynamics in the condensed phase using only classical molecular dynamics trajectories in an extended phase space. Specifically, a semiclassical mapping protocol is used to derive an exact, continuous, Cartesian variable path-integral representation for the canonical partition function of a system in which multiple electronic states are coupled to nuclear degrees of freedom. Building on this exact statistical foundation, multistate ring polymer molecular dynamics methods are developed for the approximate calculation of real-time thermal correlation functions. As a result, the remarkable promise of these multistate ring polymer methods, their successful applications, and their limitations are discussed in detail.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1990

Efficient real gas Navier-Stokes computations of high speed flows using an LU scheme

An efficient method to account for the chemically frozen thermodynamic and transport properties of air in three dimensional Navier-Stokes calculations was demonstrated. This approach uses an explicitly specified equation of state (EOS) so that the fluid pressure, temperature and transport properties are directly related to the flow variables. Since the pressure is explicitly known as a general function of the flow variables no assumptions are made regarding the pressure derivatives in the construction of the flux Jacobians. The method is efficient since no sub-iterations are required to deduce the pressure and temperature from the flux variables and allows different equations of state to be easily supplied to the code. The flexibility of the EOS approach is demonstrated by implementing a high order TVD upwinding scheme based upon flux differencing and Van Leer's flux vector splitting. The EOS approach is demonstrated by computing the hypersonic flow through the corner region of two mutually perpendicular flat plates and through a simplified model of a scramjet module gap-seal configuration.

Coirier, William J.↗

NASA NTRS1990

Efficient real gas Navier-Stokes computations of high speed flows using an LU scheme

Coirier, William J.↗

DOE OSTI2022

Model reduction for a power grid model

We examine the complexity of constructing reduced order models for subsets of the variables needed to represent the state of the power grid. In particular, we apply model reduction techniques to the DeMarco-Zheng power grid model. We show that due to the oscillating nature of the solutions and the absence of timescale separation between resolved and unresolved variables, the construction of accurate reduced models becomes highly non-trivial because one has to account for long memory effects. In addition, we show that a reduced model that includes even a short memory is drastically better than a memoryless model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

A non-radioactive method for measuring Rubisco activase activity in the presence of variable ATP: ADP ratios, including modifications for measuring the activity and activation state of Rubisco

Rubisco (ribulose-1,5-bisphosphate carboxylase/oxygenase) catalyzes carboxylation of ribulose-1,5- bisphosphate, the first in a series of reactions leading to the incorporation of atmospheric CO2 into biomass. Rubisco requires Rubisco activase (RCA), an AAA? ATPase that reactivates Rubisco by remodelling the conformation of inhibitor-bound sites. RCA is regulated by the ratio of ADP:ATP, with the precise response potentiated by redox regulation of the alpha-isoform. Measuring the effects of ADP on the activation of Rubisco by RCA using the wellestablished photometric assay is problematic because of the adenine nucleotide requirement of 3-phosphoglycerate (3- PGA) kinase. Described here is a novel assay for measuring RCA activity in the presence of variable ratios of ADP:ATP. The assay couples the formation of 3-PGA from ribulose 1,5-bisphosphate and CO 2 to NADH oxidation through cofactor-dependent phosphoglycerate mutase, enolase, PEP carboxylase and malate dehydrogenase. The assay was used to determine the effects of Rubisco and RCA concentration and ADP:ATP ratio on RCA activity, and to measure the activation of a modified Rubisco by RCA. Variations of the basic assay were used to measure the activation state of Rubisco in leaf extracts and the activity of purified Rubisco. The assay can be automated for high-throughput processing by conducting the reactions in two stages.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

A Novel Matching Formulation for Startup Costs in Unit Commitment

We present a novel formulation for startup cost computation in the unit commitment problem (UC). Both the proposed formulation and existing formulations in the literature are placed in a formal, theoretical dominance hierarchy based on their respective linear programming relaxations. The proposed formulation is tested empirically against existing formulations on large-scale unit commitment instances drawn from real-world data. While requiring more variables than the current state-of-the-art formulation, our proposed formulation requires fewer constraints, and is empirically demonstrated to be as tight as a perfect formulation for startup costs. This tightening reduces the computational burden in comparison to existing formulations, especially for UC instances with large variability in net-load due to renewables production.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2022

Temporal complementarity and value of wind-PV hybrid systems across the United States

Not Available

Harrison-Atlas, Dylan (ORCID:0000000252173355)↗

DOE OSTI2021

Photocatalytic Transfer Hydrogenation in Water: Insight into Mechanism and Catalyst Speciation

Organometallic catalysts with strong metal-to-ligand charge-transfer (MLCT) optical transitions and reactive metal-hydride bonds provide opportunities for new excited-state reactivity. Toward this end, we have investigated photoinduced transfer hydrogenation reactions for a series of Cp*IrH complexes with functionalized bipyridyl ligands. Overcoming the baseline reactivity of this class of catalyst toward hydrogen evolution in aqueous media presents a major challenge for focusing this photochemical reactivity into desired transformations of more complex organic substrates. In this work, a photochemically induced aqueous ketone reduction catalyzed by [Cp*Ir(bpy)H][Cl] is reported and benchmarked to the competing hydrogen evolution reaction (HER). A detailed mechanistic study is conducted of the reduction of cyclohexanone with sodium formate delivering the reducing equivalent. Examining the kinetic profile of the cyclohexanone reduction revealed an unexpected induction period, suggesting a more complex underlying reaction mechanism where product selectivity was not simply a function of direct competition from a common excited-state reactive intermediate. The reaction kinetics were analyzed by variable time normalization analysis (VTNA), and the catalyst resting state was interrogated through operando light-emitting diode (LED) illumination H-1 NMR spectroscopy. Overall, these and other mechanistic studies provide insight into a photochemical reaction pathway to ketone reduction that is distinct from that previously reported for HER.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

ATMOSPHERIC CIRCULATION OF HOT JUPITERS: INSENSITIVITY TO INITIAL CONDITIONS

The ongoing characterization of hot Jupiters has motivated a variety of circulation models of their atmospheres. Such models must be integrated starting from an assumed initial state, which is typically taken to be a wind-free, rest state. Here, we investigate the sensitivity of hot-Jupiter atmospheric circulation to initial conditions with shallow-water models and full three-dimensional models. Those models are initialized with zonal jets, and we explore a variety of different initial jet profiles. We demonstrate that, in both classes of models, the final, equilibrated state is independent of initial condition-as long as frictional drag near the bottom of the domain and/or interaction with a specified planetary interior are included so that the atmosphere can adjust angular momentum over time relative to the interior. When such mechanisms are included, otherwise identical models initialized with vastly different initial conditions all converge to the same statistical steady state. In some cases, the models exhibit modest time variability; this variability results in random fluctuations about the statistical steady state, but we emphasize that, even in these cases, the statistical steady state itself does not depend on initial conditions. Although the outcome of hot-Jupiter circulation models depend on details of the radiative forcing and frictional drag, aspects of which remain uncertain, we conclude that the specification of initial conditions is not a source of uncertainty, at least over the parameter range explored in most current models.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

A high-frequency Doppler feature in the power spectra of simulated GRMHD black hole accretion disks

Black hole binaries exhibit a wide range of variability phenomena, from large-scale state changes to broadband noise and quasi-periodic oscillations, but the physical nature of much of this variability is poorly understood. We examine the variability properties of three GRMHD simulations of thin accretion disks around black holes of varying spin, producing light curves and power spectra as would be seen by observers. We find that the simulated power spectra show a broad feature at high frequency, which increases in amplitude with the inclination of the observer. We show that this high-frequency feature is a product of the Doppler effect and that its location is a function of the mass and spin of the black hole. This Doppler feature demonstrates that power spectral properties of the accretion disk can be tied to, and potentially used to determine, physical properties of the black hole.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2017

Unusual Black Hole Binary LMC X-3: A Transient High-mass X-Ray Binary That Is Almost Always On?

We have analyzed a rich, multimission, multiwavelength data set from the black hole X-ray binary (BHXB) LMC X-3, covering a new anomalous low state (ALS), during which the source flux falls to an unprecedentedly low and barely detectable level, and a more normal low state. Simultaneous X-ray and UV/optical monitoring data from Swift are combined with pointed observations from the Rossi X-ray Timing Explorer (RXTE) and X-ray Multi-Mirror Mission (XMM-Newton) and light curves from the Monitor of All-Sky X-ray Image (MAXI) instrument to compare the source characteristics during the ALS with those seen during the normal low state. An XMM-Newton spectrum obtained during the ALS can be modeled using an absorbed power law with Γ=1.41±0.65 and a luminosity of 7.97×10{sup 33} erg s{sup −1} (0.6–5 keV). The Swift X-ray and UV light curves indicate an X-ray lag of ∼8 days as LMC X-3 abruptly exits the ALS, suggesting that changes in the mass accretion rate from the donor drive the X-ray lag. The normal low state displays an asymmetric profile in which the exit occurs more quickly than the entry, with minimum X-ray flux a factor of ∼4300 brighter than during the ALS. The UV brightness of LMC X-3 in the ALS is also fainter and less variable than during normal low states. The existence of repeated ALSs in LMC X-3, as well as a comparison with other BHXBs, implies that it is very close to the transient/persistent X-ray source dividing line. We conclude that LMC X-3 is a transient source that is almost always “on.”.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

CMIP5 model selection for ISMIP6 ice sheet model forcing: Greenland and Antarctica

Abstract. The ice sheet model intercomparison project for CMIP6 (ISMIP6) effort brings together the ice sheet and climate modeling communities to gain understanding of the ice sheet contribution to sea level rise. ISMIP6 conducts stand-alone ice sheet experiments that use space- and time-varying forcing derived from atmosphere–ocean coupled global climate models (AOGCMs) to reflect plausible trajectories for climate projections. The goal of this study is to recommend a subset of CMIP5 AOGCMs (three core and three targeted) to produce forcing for ISMIP6 stand-alone ice sheet simulations, based on (i) their representation of current climate near Antarctica and Greenland relative to observations and (ii) their ability to sample a diversity of projected atmosphere and ocean changes over the 21st century. The selection is performed separately for Greenland and Antarctica. Model evaluation over the historical period focuses on variables used to generate ice sheet forcing. For stage (i), we combine metrics of atmosphere and surface ocean state (annual- and seasonal-mean variables over large spatial domains) with metrics of time-mean subsurface ocean temperature biases averaged over sectors of the continental shelf. For stage (ii), we maximize the diversity of climate projections among the best-performing models. Model selection is also constrained by technical limitations, such as availability of required data from RCP2.6 and RCP8.5 projections. The selected top three CMIP5 climate models are CCSM4, MIROC-ESM-CHEM, and NorESM1-M for Antarctica and HadGEM2-ES, MIROC5, and NorESM1-M for Greenland. This model selection was designed specifically for ISMIP6 but can be adapted for other applications.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

Unusual Black Hole Binary LMC X-3: A Transient High-Mass X-Ray Binary That Is Almost Always On?

We have analyzed a rich, multimission, multiwavelength data set from the black hole X-ray binary (BHXB) LMC X-3, covering a new anomalous low state (ALS), during which the source flux falls to an unprecedentedly low and barely detectable level, and a more normal low state. Simultaneous X-ray and UV/optical monitoring data from Swift are combined with pointed observations from the Rossi X-ray Timing Explorer (RXTE) and X-ray Multi- Mirror Mission (XMM-Newton) and light curves from the Monitor of All-Sky X-ray Image (MAXI) instrument to compare the source characteristics during the ALS with those seen during the normal low state. An XMM-Newton spectrum obtained during the ALS can be modeled using an absorbed power law with Gamma = 1.41‚+/- 0.65 and a luminosity of 7.97 x 10(exp 33) erg/s (0.6-5 keV). The Swift X-ray and UV light curves indicate an X-ray lag of approx. 8 days as LMC X-3 abruptly exits the ALS, suggesting that changes in the mass accretion rate from the donor drive the X-ray lag. The normal low state displays an asymmetric profile in which the exit occurs more quickly than the entry, with minimum X-ray flux a factor of approx. 4300 brighter than during the ALS. The UV brightness of LMC X-3 in the ALS is also fainter and less variable than during normal low states. The existence of repeated ALSs in LMC X-3, as well as a comparison with other BHXBs, implies that it is very close to the transient/persistent X-ray source dividing line. We conclude that LMC X-3 is a transient source that is almost always "on."

Simultaneous X-ray and UV/optical monitoring dat↗

NASA NTRS1993

Control design variable linking for optimization of structural/control systems

A method is presented to integrate the design space of structural/control system optimization problems in the case of linear state feedback control. Conventional structural sizing variables and elements of the feedback gain matrix are both treated as strictly independent design variables in optimization by extending design variable linking concepts to the control gains. Several approximation concepts including new control design variable linking schemes are used to formulate the integrated structural/control optimization problem as a sequence of explicit nonlinear mathematical programming problems. Examples which involve a variety of behavior constraints, including constraints on dynamic stability, damped frequencies, control effort, peak transient displacement, acceleration, and control force limits, are effectively solved by using the method presented.

Jin, Ik Min↗

NASA NTRS1996

Quantification of Bone Growth Rate Variability in Rats Exposed to Micro- (near zero G) and Macrogravity (2G)

Our stated primary objective is to quantify the growth rate variability of rat lamellar bone exposed to micro and macrogravity (2G). The primary significance of the proposed work is that an elegant method will be established that unequivocally characterizes the morphological consequences of gravitational factors on developing bone. The integrity of this objective depends upon our successful preparation of thin sections suitable for imaging individual bone lamellae, and our imaging and quantitation of growth rate variability in populations of lamellae from individual bone samples.

Bromage, Timothy G.↗