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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Performance Characteristics of a Rotating Detonation Combustor Exiting Into a Pressurized Plenum to Simulate Gas Turbine Inlet

Abstract The present study aims to experimentally characterize the performance of a rotating detonation combustion (RDC) system integrated with a pressurized downstream plenum to simulate the high-pressure inlet conditions of power-generating gas turbines. A thorough understanding of the operational behavior including wave mode behavior, static pressure profile along the combustor length, and dynamic features of pressure fluctuations is crucial for successful integration of RDC with the turbine. In this study, two RDC configurations are investigated, RDC with a constant area annulus and RDC with a converging nozzle. In both cases, the RDC flow exited into a plenum chamber kept at pressures varying from 155 kPa to 330 kPa. RDC was operated on methane and oxygen-enriched air to represent reactants used in land-based power generation. Experiments were conducted for the two RDCs configurations operated at three reactant mass flow rates (0.23, 0.32, and 0.46 kg/s). The RDC performance is characterized by time-averaged static pressure measurements, and wave velocity determined by ionization probes. In addition, dynamic pressure measurements were recorded both inside and near the exit of RDC channel to investigate wave interactions between RDC and downstream plenum. Results show that the RDC with the converging nozzle achieved superior performance while minimizing detrimental interactions with the reflected shock and/or acoustic waves from the downstream plenum.

Engineering↗
DOE OSTI2016

Dinitrogenase-Driven Photobiological Hydrogen Production Combats Oxidative Stress in Cyanothece sp. Strain ATCC 51142

ABSTRACT Photobiologically synthesized hydrogen (H 2 ) gas is carbon neutral to produce and clean to combust, making it an ideal biofuel. Cyanothece sp. strain ATCC 51142 is a cyanobacterium capable of performing simultaneous oxygenic photosynthesis and H 2 production, a highly perplexing phenomenon because H 2 evolving enzymes are O 2 sensitive. We employed a system-level in vivo chemoproteomic profiling approach to explore the cellular dynamics of protein thiol redox and how thiol redox mediates the function of the dinitrogenase NifHDK, an enzyme complex capable of aerobic hydrogenase activity. We found that NifHDK responds to intracellular redox conditions and may act as an emergency electron valve to prevent harmful reactive oxygen species formation in concert with other cell strategies for maintaining redox homeostasis. These results provide new insight into cellular redox dynamics useful for advancing photolytic bioenergy technology and reveal a new understanding for the biological function of NifHDK. IMPORTANCE Here, we demonstrate that high levels of hydrogen synthesis can be induced as a protection mechanism against oxidative stress via the dinitrogenase enzyme complex in Cyanothece sp. strain ATCC 51142. This is a previously unknown feature of cyanobacterial dinitrogenase, and we anticipate that it may represent a strategy to exploit cyanobacteria for efficient and scalable hydrogen production. We utilized a chemoproteomic approach to capture the in situ dynamics of reductant partitioning within the cell, revealing proteins and reactive thiols that may be involved in redox sensing and signaling. Additionally, this method is widely applicable across biological systems to achieve a greater understanding of how cells navigate their environment and how redox chemistry can be utilized to alter metabolism and achieve homeostasis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Parallel measurement of transcriptomes and proteomes from same single cells using nanodroplet splitting

Single-cell multiomics provides comprehensive insights into gene regulatory networks, cellular diversity, and temporal dynamics. While tools for co-profiling single-cell genomes, transcriptomes, and epigenomes are available, accessing proteomes in parallel is more challenging. We developed nanoSPLITS (nanodroplet SPlitting for Linked-multimodal Investigations of Trace Samples), an integrated platform that enables global profiling of the transcriptome and proteome from same single cells using RNA sequencing and mass spectrometry-based proteomics, respectively. nanoSPLITS can precisely quantify over 5000 genes, 2000 proteins, and 140 phosphopeptides per single cell and identify candidate cell markers from these modalities. By exploring Cdk1-mediated cell cycle arrest, we demonstrate how nanoSPLITS single-cell multiomics can provide comprehensive cellular characterization with insights into covarying protein/gene clusters, unique phosphorylation events, and mitotic pathways.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Overview of the New Beam Physics Research at the IOTA/FAST Facility

The Fermilab Accelerator Science and Technology (FAST) facility is dedicated to the exploration of novel concepts in accelerator and beam physics, and the development of a robust workforce, in order to enable and enhance next-generation particle accelerators. FAST comprises a high-brightness superconducting electron linac, and a storage ring, the Integrable Optics Test Accelerator (IOTA). Experiments in the most recent operational run include studies of nonlinear integrable lattices; tracking of single electrons; precise characterization of undulator radiation; studies with low-momentum-compaction lattices; and ultra-wide range beam diagnostics based on Photomultiplier tubes. In the linac, experiments on noise in intense electron bunches were conducted. The IOTA proton injector, currently being commissioned, will enable a diverse program on space-charge-dominated beams. Research areas include non-invasive beam profile monitoring for proton beams; beam dynamics with electron lenses; halo suppression, feedback systems, and electron cooling. In this presentation, we provide an overview of the recent results and highlight future plans together with opportunities for collaboration.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

BEAM INSTRUMENTATION FOR HIGH POWER HADRON BEAMS

This presentation will describe developments in the beam diagnostics which support the understanding and operation of high power hadron accelerators. These include the measurement of large dynamic range transverse and longitudinal beam profiles, beam loss detection, and non-interceptive diagnostics.

Aleksandrov, Alexander V↗
DOE OSTI2015

Transverse Beam Halo Measurements at High Intensity Neutrino Source (HINS) using Vibrating Wire Monitor

The measurement and control of beam halos will be critical for the applications of future high-intensity hadron linacs. In particular, beam profile monitors require a very high dynamic range when used for the transverse beam halo measurements. In this study, the Vibrating Wire Monitor (VWM) with aperture 60 mm was installed at the High Intensity Neutrino Source (HINS) front-end to measure the transverse beam halo. A vibrating wire is excited at its resonance frequency with the help of a magnetic feedback loop, and the vibrating and sensitive wires are connected through a balanced arm. The sensitive wire is moved into the beam halo region by a stepper motor controlled translational stage. We study the feasibility of the vibrating wire for the transverse beam halo measurements in the low-energy front-end of the proton linac.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Simulations of radiation damage as a function of the temporal pulse profile in femtosecond X-ray protein crystallography

Serial femtosecond X-ray crystallography of protein nanocrystals using ultrashort and intense pulses from an X-ray free-electron laser has proved to be a successful method for structural determination. However, due to significant variations in diffraction pattern quality from pulse to pulse only a fraction of the collected frames can be used. Experimentally, the X-ray temporal pulse profile is not known and can vary with every shot. This simulation study describes how the pulse shape affects the damage dynamics, which ultimately affects the biological interpretation of electron density. The instantaneously detected signal varies during the pulse exposure due to the pulse properties, as well as the structural and electronic changes in the sample. Here ionization and atomic motion are simulated using a radiation transfer plasma code. Pulses with parameters typical for X-ray free-electron lasers are considered: pulse energies ranging from 10 4 to 10 7 J cm -2 with photon energies from 2 to 12 keV, up to 100 fs long. Radiation damage in the form of sample heating that will lead to a loss of crystalline periodicity and changes in scattering factor due to electronic reconfigurations of ionized atoms are considered here. The simulations show differences in the dynamics of the radiation damage processes for different temporal pulse profiles and intensities, where ionization or atomic motion could be predominant. Overall, the different dynamics influence the recorded diffracted signal in any given resolution and will affect the subsequent structure determination.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

The flat density profiles of massive, and relaxed galaxy clusters

The present paper is an extension and continuation of Del Popolo (2012a) which studied the role of baryon physics on clusters of galaxies formation. In the present paper, we studied by means of the SIM introduced in Del Popolo (2009), the total and DM density profiles, and the correlations among different quantities, observed by Newman et al. (2012a,b), in seven massive and relaxed clusters, namely MS2137, A963, A383, A611, A2537, A2667, A2390. As already found in Del Popolo 2012a, the density profiles depend on baryonic fraction, angular momentum, and the angular momentum transferred from baryons to DM through dynamical friction. Similarly to Newman et al. (2012a,b), the total density profile, in the radius range 0.003–0.03r{sub 200}, has a mean total density profile in agreement with dissipationless simulations. The slope of the DM profiles of all clusters is flatter than -1. The slope, α, has a maximum value (including errors) of α = −0.88 in the case of A2390, and minimum value α = −0.14 for A2537. The baryonic component dominates the mass distribution at radii < 5–10 kpc, while the outer distribution is dark matter dominated. We found an anti-correlation among the slope α, the effective radius, R{sub e}, and the BCG mass, and a correlation among the core radius r{sub core}, and R{sub e}. Moreover, the mass in 100 kpc (mainly dark matter) is correlated with the mass inside 5 kpc (mainly baryons). The behavior of the total mass density profile, the DM density profile, and the quoted correlations can be understood in a double phase scenario. In the first dissipative phase the proto-BCG forms, and in the second dissipationless phase, dynamical friction between baryonic clumps (collapsing to the center) and the DM halo flattens the inner slope of the density profile. In simple terms, the large scatter in the inner slope from cluster to cluster, and the anti-correlation among the slope, α and R{sub e} is due to the fact that in order to have a total mass density profile which is NFW-like, clusters having more massive BCGs at their centers must contain less DM in their center. Consequently the inner profile has a flatter slope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Root Foraging Alters Global Patterns of Ecosystem Legacy From Climate Perturbations

The response of terrestrial ecosystems to climate perturbations typically persist longer than the timescale of the forcing, a phenomenon broadly referred to as legacy. Understanding the strength of legacy is critical for predicting ecosystem sensitivity to climate extremes and the extent that persistent changes in surface-atmosphere exchange might feedback onto climate. The cause of ecosystem legacy has been associated with myriad factors such as changes in aboveground biomass, however, few studies have tested how changes in the depth distribution of fine roots in response to perturbation might alter an ecosystem's recovery time. We explore this question using an Earth System Model that includes a dynamic root module where vegetation can forage for water and nutrients by altering their root profiles. The global simulations presented here show that in response to water stress events most ecosystems deepen their root profiles. In semi-arid ecosystems, this response expedites recovery (i.e., less legacy) relative to simulations without dynamics roots because access to deeper water pools after the initial event remains favorable. In wetter ecosystems, the development of deeper root profiles slows down the recovery timescale (i.e., more legacy) because the deeper root profile reduces access to nutrients and is thus unfavorable. Here, the simulations show that while the inclusion of dynamic roots might only minimally affect global patterns of Gross Primary Productivity and Evapotranspiration, the shift in root profile alters the timescale of recovery. Studies interested in the sustained response of land surfaces fluxes to climate disturbances should consider models that include dynamic root capability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Carbon Nanoparticles and Graphene Nanosheets as MALDI Matrices in Glycomics: a New Approach to Improve Glycan Profiling in Biological Samples

Glycomics continues to be a highly dynamic and interesting research area due to the need to comprehensively understand the biological attributes of glycosylation in many important biological functions such as the immune response, cell development, cell differentiation/adhesion, and host-pathogen interactions. Although matrix-assisted laser desorption ionization (MALDI) mass spectrometry (MS) has proven to be suitable for glycomic profiling studies, there is a need for improved sensitivity in the detection of native glycans, which ionize inefficiently. In this study, we investigated the efficiencies of graphene nanosheets (GNs) and carbon nanoparticles (CNPs) as MALDI matrices and co-matrices in glycan profiling. Our results indicated an enhancement of signal intensity by several orders of magnitude upon using GNs and CNPs in MALDI analysis of N-glycans derived from a variety of biological samples. Interestingly, increasing the amounts of CNPs and GNs improved not only the signal intensities but also prompted in-source decay (ISD) fragmentations, which produced extensive glycosidic and cross-ring cleavages. Our results indicated that the extent of ISD fragmentation could be modulated by CNP and GN concentrations, to obtain MS{sup 2} and pseudo-MS{sup 3} spectra. The results for glycan profiling in high salt solutions confirmed high salt-tolerance capacities for both CNPs and GNs. Finally, the results showed that by using CNPs and GNs as co-matrices, DHB crystal formation was more homogeneous which improved shot-to-shot reproducibility and sensitivity. .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Generation of Composite Load Protection Profiles for Reliable System Operation

A correct representation of the dynamic load is vital for power system planning and operation. In a composite load model, different motor types have different protection schemes. In addition, motor types vary significantly in different building type. Existing load models are inadequate to handle the growing importance of protective devices in buildings. This work proposed a methodology to generate composite protection profiles in one-hour interval in one year, for different commercial buildings in representative cities from different climate zones. This work can be used to develop the composite protection model, and to study the aggregated performance of the protection of all the motor loads in the composite load model.

protection model, Composite load model, Commercial↗
DOE OSTI2016

Predicting kinetic nanocrystal shapes through multi-scale theory and simulation: Polyvinylpyrrolidone-mediated growth of Ag nanocrystals

In the shape-controlled synthesis of colloidal Ag nanocrystals, structure-directing agents, particularly polyvinylpyrrolidone (PVP), are known to be a key additive in making nanostructures with well-defined shapes. Although many Ag nanocrystals have been successfully synthesized using PVP, the mechanism by which PVP actuates shape control remains elusive. Here, we present a multi-scale theoretical framework for kinetic Wulff shape predictions that accounts for the chemical environment, which we used to probe the kinetic influence of the adsorbed PVP film. Within this framework, we use umbrella-sampling molecular dynamics simulations to calculate the potential of mean force and diffusion coefficient profiles of Ag atom deposition onto Ag(100) and Ag(111) in ethylene glycol solution with surface-adsorbed PVP. We use these profiles to calculate the mean-first passage times and implement extensive Brownian dynamics simulations, which allows the kinetic effects to be quantitatively evaluated. Our results show that PVP films can regulate the flux of Ag atoms to be greater towards Ag(111) than Ag(100). PVP’s preferential binding towards Ag(100) over Ag(111) gives PVP its flux-regulating capabilities through the lower free-energy barrier of Ag atoms to cross the lower-density PVP film on Ag(111) and enhanced Ag trapping by the extended PVP film on Ag(111). Under kinetic control, {100}-faceted nanocrystals will be formed when the Ag flux is greater towards Ag(111). Furthermore, the predicted kinetic Wulff shapes are in agreement with the analogous experimental system.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Simulating transient heat transfer in graphene at finite Knudsen number via the Boltzmann transport equation and molecular dynamics

The phonon Boltzmann transport equation (BTE) with the relaxation time approximation (RTA) scattering model is used to calculate transient temperature profiles in graphene, and the results are compared to analogous molecular dynamics (MD) simulations. For the BTE calculations, the phonon dispersion relation and frequency-dependent scattering rates are obtained from a combination of MD data and semi-empirical power-law expressions for the normal and Umklapp phonon lifetimes. The dimensions and initial temperature conditions of graphene are varied to study the size and temperature dependence of thermal transport physics at the mesoscopic scale. Good quantitative agreement to within 5% is found between the BTE and MD results, over a wide range of temperatures and lengthscales of the temperature variation in the graphene sheet. Small differences are attributed to the inaccuracy of the RTA as applied to graphene, and to neglecting four-phonon scattering in the BTE simulations. The present results may further understanding in applications such as the transient heating of nanoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Understanding polarization properties of InAs quantum dots by atomistic modeling of growth dynamics

A model for realistic InAs quantum dot composition profile is proposed and analyzed, consisting of a double region scheme with an In-rich internal core and an In-poor external shell, in order to mimic the atomic scale phenomena such as In-Ga intermixing and In segregation during the growth and overgrowth with GaAs. The parameters of the proposed model are derived by reproducing the experimentally measured polarization data. Further understanding is developed by analyzing the strain fields which suggests that the two-composition model indeed results in lower strain energies than the commonly applied uniform composition model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electron momentum spectroscopy of dimethyl ether taking account of nuclear dynamics in the electronic ground state

The influence of nuclear dynamics in the electronic ground state on the (e,2e) momentum profiles of dimethyl ether has been analyzed using the harmonic analytical quantum mechanical and Born-Oppenheimer molecular dynamics approaches. In spite of fundamental methodological differences, results obtained with both approaches consistently demonstrate that molecular vibrations in the electronic ground state have a most appreciable influence on the momentum profiles associated to the 2b{sub 1}, 6a{sub 1}, 4b{sub 2}, and 1a{sub 2} orbitals. Taking this influence into account considerably improves the agreement between theoretical and newly obtained experimental momentum profiles, with improved statistical accuracy. Both approaches point out in particular the most appreciable role which is played by a few specific molecular vibrations of A{sub 1}, B{sub 1}, and B{sub 2} symmetries, which correspond to C–H stretching and H–C–H bending modes. In line with the Herzberg-Teller principle, the influence of these molecular vibrations on the computed momentum profiles can be unraveled from considerations on the symmetry characteristics of orbitals and their energy spacing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Vertical structure and physical processes of the Madden-Julian Oscillation: Biases and uncertainties at short range

We present an analysis of diabatic heating and moistening processes from 12 to 36 h lead time forecasts from 12 Global Circulation Models as part of the “Vertical structure and physical processes of the Madden-Julian Oscillation (MJO)” project. A lead time of 12–36 h is chosen to constrain the large-scale dynamics and thermodynamics to be close to observations while avoiding being too close to the initial spin-up of the models as they adjust to being driven from the Years of Tropical Convection (YOTC) analysis. A comparison of the vertical velocity and rainfall with the observations and YOTC analysis suggests that the phases of convection associated with the MJO are constrained in most models at this lead time although the rainfall in the suppressed phase is typically overestimated. Although the large-scale dynamics is reasonably constrained, moistening and heating profiles have large intermodel spread. In particular, there are large spreads in convective heating and moistening at midlevels during the transition to active convection. Radiative heating and cloud parameters have the largest relative spread across models at upper levels during the active phase. A detailed analysis of time step behavior shows that some models show strong intermittency in rainfall and differences in the precipitation and dynamics relationship between models. In conclusion, the wealth of model outputs archived during this project is a very valuable resource for model developers beyond the study of the MJO. Additionally, the findings of this study can inform the design of process model experiments, and inform the priorities for field experiments and future observing systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Modeling hot gas flow in the low-luminosity active galactic nucleus of NGC 3115

Based on the dynamical black hole (BH) mass estimates, NGC 3115 hosts the closest billion solar mass BH. Deep studies of the center revealed a very underluminous active galactic nucleus (AGN) immersed in an old massive nuclear star cluster. Recent 1 Ms Chandra X-ray visionary project observations of the NGC 3115 nucleus resolved hot tenuous gas, which fuels the AGN. In this paper we connect the processes in the nuclear star cluster with the feeding of the supermassive BH. We model the hot gas flow sustained by the injection of matter and energy from the stars and supernova explosions. We incorporate electron heat conduction as the small-scale feedback mechanism, the gravitational pull of the stellar mass, cooling, and Coulomb collisions. Fitting simulated X-ray emission to the spatially and spectrally resolved observed data, we find the best-fitting solutions with χ{sup 2}/dof = 1.00 for dof = 236 both with and without conduction. The radial modeling favors a low BH mass <1.3 × 10{sup 9} M {sub ☉}. The best-fitting supernova rate and the best-fitting mass injection rate are consistent with their expected values. The stagnation point is at r {sub st} ≲ 1'', so that most of the gas, including the gas at a Bondi radius r{sub B} = 2''-4'', outflows from the region. We put an upper limit on the accretion rate at 2 × 10{sup –3} M {sub ☉} yr{sup –1}. We find a shallow density profile n∝r {sup –β} with β ≈ 1 over a large dynamic range. This density profile is determined in the feeding region 0.''5-10'' as an interplay of four processes and effects: (1) the radius-dependent mass injection, (2) the effect of the galactic gravitational potential, (3) the accretion flow onset at r ≲ 1'', and (4) the outflow at r ≳ 1''. The gas temperature is close to the virial temperature T{sub v} at any radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A Deep Generative Model for Non-Intrusive Identification of EV Charging Profiles

The proliferation of electric vehicles (EVs) brings environmental benefits and technical challenges to power grids. An identification algorithm which can accurately extract individual EV charging profiles out of widely available smart meter measurements has attracted great interests. This paper proposes a non-intrusive identification framework for EV charging profile extraction, which is driven by deep generative models (DGM). First, the proposed DGM is designed as a representation layer embedded into the Markov process and used to model the joint probability distribution of available time-series data. A novel contribution is to approximate posterior distributions by neural networks whose parameters are obtained by variational inference and supervised learning. Second, the EV charging status is inferred from the DGM via dynamic programming. Lastly, the desired EV charging profile can be reconstructed by the rated power of EV models and inferred status. Compared with the benchmark Hidden Markov Models, the proposed framework can better handle noise in data with less computational complexity and better overall accuracy performances with smaller recall. The proposed framework is validated by numerical experiments on the Pecan Street dataset.

33 ADVANCED PROPULSION SYSTEMS↗