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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 991 records · Page 55

Grid Service Values of Generic Marginal Building Flexibility in Modeled 2030 U.S. Power Systems

The datasets include the capacity, energy, and ancillary service values of a marginal kilowatt-hour (kWh) of generic, daily, shiftable building flexibility as a presumed market entrant in the 2030 U.S. power systems. The results should be interpreted along with the caveats listed in "Valuation of Building Flexibility: Grid Service Value for Initial Market Entrants in Projected 2030 United States Power Systems", which also documents the methods used for the study. The factors examined in the study include: grid scenario, region, original usage hour in the day (local time), and building flexibility parameters - efficiency, dissipation, and shifting window include max pre-shift and max post-shift. Filenames in the datasets: The filenames contain information on the grid scenario, and the building flexibility efficiency and dissipation. For example: MidCase_2030_efficiency1.25_dissipation0.05_value.csv contains all results under Mid RE 2020, efficiency = 1.25, and dissipation = 0.05. * MidCase = Mid RE Each .csv file contains: region: The location of the building flexibility, aligned with U.S. Energy Information Administration (EIA) National Energy Modeling System (NEMS) Electricity Market Module regions. max_pre_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift earlier. max_post_shift: Part of building flexibility shifting window parameter, indicates the max number of hours the building flexibility can shift later. local_datetime: Original datetime of 1kWh of building energy consumption. local_orig_h: Original usage hour (1-24) of building energy consumption, ignores daylight saving. local_shift_to: The datetime to when building energy consumption shifts, if shifting happens. If no shifting occurs, this cell is left blank. energy: Net energy value of energy shifting. capacity: Net capacity value of energy shifting. shifting_value: Net energy plus capacity value of energy shifting. spin: Spin reserve value at the original datetime of consumption. flex: Flexible reserve value at the original datetime of consumption. reg: Regulation reserve value at the original datetime of consumption. total_profit: Assuming the building flexibility is capable of providing energy, capacity, and ancillary services, total profit is the maximum value of energy shifting value, spin reserve value, flexible reserve value, and regulation reserve value - one of the four choices at any given hour - because we do not allow its value to be double-counted.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Global crop production forecasting: An analysis of the data system problems and their solutions

Data related problems in the acquisition and use of satellite data necessary for operational forecasting of global crop production are considered for the purpose of establishing a measurable baseline. For data acquisition the world was divided into 37 crop regions in 22 countries. These regions represent approximately 95 percent of the total world production of the selected crops of interest, i.e., wheat, corn, soybeans, and rice. Targets were assigned to each region. Limited time periods during which data could be taken (windows) were assigned to each target. Each target was assigned to a cloud region. The DSDS was used to measure the success of obtaining data for each target during the specified windows for the regional cloud conditions and the specific alternatives being analyzed. The results of this study suggest several approaches for an operational system that will perform satisfactorily with two LANDSAT type satellites.

Neiers, J.↗

Overview and Status of EXCLAIM, the Experiment for Cryogenic Large-Aperture Intensity Mapping

The EXperiment for Cryogenic Large-Aperture Intensity Mapping (EXCLAIM) is a balloon-borne far-infrared telescope that will survey star formation history over cosmological time scales to improve our un-derstanding of why the star formation rate declined at redshiftz <2, despite continued clustering of darkmatter. Specifically, EXCLAIM will map the emission of redshifted carbon monoxide and singly ionized carbon lines in windows over a redshift range0< z <3.5, following an innovative approach known asintensity mapping. Intensity mapping measures the statistics of brightness fluctuations of cumulative lineemissions, as opposed to detecting individual galaxies, thus enabling a blind, complete census of the emittinggas. To detect this emission unambiguously, EXCLAIM will cross-correlate with a rich spectroscopic galaxycatalog. The EXCLAIM mission will use a cryogenic design to cool the telescope optics to approximately1.7K. The telescope will feature a90-cm primary mirror to probe spatial scales on the sky from the linearregime up to shot-noise-dominated scales. The telescope optical elements will couple to six μ-Spec spectrom-eter modules, operating over a420–540-GHz frequency band with a spectral resolution of512and featuringMicrowave Kinetic Inductance Detectors (MKIDs). In the baseline design, the detectors will be read out witha Radio Frequency System-on-Chip (RFSoC). The cryogenic telescope and the sensitive detectors will allowEXCLAIM to reach high sensitivity in spectral windows of low emission in the upper atmosphere. Here, anoverview of the mission design and development status since the start of the EXCLAIM project in early 2019 is presented.

Giuseppe Cataldo↗

A windowed mean trajectory approximation for condensed phase dynamics

We propose a trajectory-based quasi-classical method for approximating dynamics in condensed phase systems. Building upon the previously developed optimized mean trajectory approximation that has been used to compute linear and nonlinear spectra, we borrow some ideas from filtering trajectory methods to obtain a novel semiclassical method for the dynamical propagation of density matrices. This new approximation is tested rigorously against standard multistate electronic models, spin-boson models, and models of the Fenna–Matthews–Olson complex. For dissipative systems, the current method is significantly better or as good as many other semiclassical methods available, especially at low temperatures and for off-diagonal density matrix elements, whereas for scattering models, the current method bears similar limitations as mean-field propagation schemes. All results are tested against the numerically exact hierarchical equations of motion method. In conclusion, the new method shows excellent agreement across various parameter regimes with numerically exact results, highlighting the robustness and accuracy of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interface flux recovery framework for constructing partitioned heterogeneous time-integration methods

A common approach for the development of partitioned schemes employing different time integrators on different subdomains is to lag the coupling terms in time. This can lead to accuracy issues, especially in multistage methods. Here, in this article, we present a novel framework for partitioned heterogeneous time-integration methods, which allows the coupling of arbitrary multistage and multistep methods without reducing their order of accuracy. At the core of our approach are accurate estimates of the interface flux obtained from the Schur complement of an auxiliary monolithic system. We use these estimates to construct a polynomial-in-time approximation of the interface flux over the current time coupling window. This approximation provides the interface boundary conditions necessary to decouple the subdomain problems at any point within the coupling window. In so doing our framework enables a flexible choice of time-integrators for the individual subproblems without compromising the time-accuracy at the coupled problem level. This feature is the main distinction between our framework and other approaches. To demonstrate the framework, we construct a family of partitioned heterogeneous time-integration methods, combining multistage and multistep methods, for a simplified tracer transport component of the coupled air-sea system in Earth system models. We report numerical tests evaluating accuracy and flux conservation for different pairs of time-integrators from the explicit Runge-Kutta and Adams-Moulton families.

97 MATHEMATICS AND COMPUTING↗

Thermally Responsive Hydrogels for Passive Temperature Regulation under Direct Sunlight

By spontaneously emitting midinfrared radiation to outer space through the atmospheric window and reflecting sunlight, daytime radiative coolers achieve notable passive cooling performance. However, existing daytime radiative cooling systems generally lack the ability to adaptively switch between heating and cooling states based on ambient conditions. Herein a passive thermal regulation system that features a temperature‐dependent switchable solar reflectance from 0.05 (low temperature) to 0.8 (high temperature) is presented. This, along with a ≈0.95 midinfrared emittance, it enables automatic switching between radiative cooling and solar heating. Switchablity is enabled using a poly( N ‐isopropylacrylamide) (PNIPAM) hydrogel which exhibits high solar scattering above its tunable lower critical solution temperature (LCST) and transparency below its LCST. The lower part of the hydrogel is loaded with graphite to absorb solar energy in the heating state. In testing under sunny and partly cloudy outside conditions, this system maintains a temperature close to the set LCST.

Xie, Dajie↗

Electrolyte Engineering for Efficient Electrochemical Nitrate Reduction to Ammonia on a Titanium Electrode

Nitrates from agricultural runoff and industrial waste streams are a notorious waste product and hazardous pollutant. Traditional electrochemical water remediation approaches aim to solve this problem by converting nitrates to environmentally benign N 2 while minimizing the production of environmentally hazardous side products such as ammonia and nitrous oxide in a process known as “denitrification”. We modify this concept and outline an opportunity to optimize the conversion of nitrates into ammonia, which is also a key commodity product used as a fertilizer, potential fuel, and chemical precursor. The electrochemical conversion of nitrates to ammonia recycles the fixed nitrogen and offers an appealing and supplementary alternative to the energy- and resource-intensive Haber-Bosch process. In this study, we investigated the effect of varying electrochemical conditions (pH, nitrate concentration, and applied potential) on the selective reduction of nitrate to ammonia at a titanium cathode. We observed that high concentrations of both protons and nitrate ions are needed to achieve high selectivity, reaching a peak of 82% Faradaic efficiency to ammonia at an applied potential of -1 V versus RHE and a partial current density to NH 3 of -22 mA/cm 2 , using 0.4 M [NO 3 – ] at pH ~0.77. The Ti electrode, as a poor hydrogen evolution catalyst with notable corrosion resistance, provides a large window of operating conditions to achieve high selectivity in the reduction of nitrate anions. Stability of the system was evaluated, and we found a high Faradaic efficiency throughout the course of an 8 h experiment. After electrochemical testing, titanium hydride was observed at the cathode surface. We also show a preliminary technoeconomic study, indicating that it may be feasible to employ an electrochemical strategy for the production of ammonium nitrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

On two nucleons near unitarity with perturbative pions

We explore the impact of perturbative pions on the Unitarity Expansion in the two-nucleon S-waves of Chiral Effective Field Theory at next-to-next-to leading order (N 2 LO). Pion exchange explicitly breaks the nontrivial fixed point’s universality, i.e. invariance of S waves under both conformal and Wigner’s combined SU(4) spin–isospin transformations. On the other hand, Unitarity explicitly breaks chiral symmetry. The two seem incompatible in their respective exact-symmetry limits. χEFT with Perturbative Pions in the Unitarity Expansion resolves the apparent conflict in the Unitarity Window (phase shifts 45° ≲ δ(k) ≲ 135°), i.e. around momenta most relevant for low-energy nuclear systems. Its only LO scale is the scattering momentum; NLO adds only scattering length, effective range and non-iterated one-pion exchange (OPE); and N 2 LO only once-iterated OPE. Agreement in the 1 S 0 channel is very good.

Chiral symmetry↗

SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 2 (Lowest Temperature Extracted Protein Coordinate Trajectories)

Protein-only trajectories of the lowest-temperature window (310K) extracted from temperature replica-exchange molecular dynamics simulations of 23 different SARS CoV-2 systems, including S Protein ACE2-receptor binding-domain, MPro, PLPro, NSP3 ADRP (X-domain/macrodomain/phosphatase), NSP15 (endoribonuclease), NSP9, NSP10, NSP16, and N-protein N-terminus. Systems were prepared with charmm-gui and simulated using the GROMACS simulation software suite. Trajectories are provided in compressed dcd format with accompanying coordinate/topology files in pdb and psf formats. This data supplements the data release, DOI: 10.13139/OLCF/1650650 ('SARS-CoV2 Protein-Ligand Simulation Dataset: Layer 1 (Simulation Initial Conditions and Parameters)')

59 BASIC BIOLOGICAL SCIENCES↗

Multiscale modeling high-order methods and data-driven modeling

Projection-based reduced-order models (ROMs) comprise a promising set of data-driven approaches for accelerating the simulation of high-fidelity numerical simulations. Standard projection-based ROM approaches, however, suffer from several drawbacks when applied to the complex nonlinear dynamical systems commonly encountered in science and engineering. These limitations include a lack of stability, accuracy, and sharp a posteriori error estimators. This work addresses these limitations by leveraging multiscale modeling, least-squares principles, and machine learning to develop novel reduced-order modeling approaches, along with data-driven a posteriori error estimators, for dynamical systems. Theoretical and numerical results demonstrate that the two ROM approaches developed in this work - namely the windowed least-squares method and the Adjoint Petrov - Galerkin method - yield substantial improvements over state-of-the-art approaches. Additionally, numerical results demonstrate the capability of the a posteriori error models developed in this work.

97 MATHEMATICS AND COMPUTING↗

SimpleMass (Version 2.0.1 Report)

SimpleMass v2 is an updated GUI version of the SimpleMass Excel spreadsheet. It was developed using Python 3.7 and wxPython, a cross-platform GUI toolkit. The program was developed on Windows 10 and tested on macOS Catalina. In theory, the program should work on Linux based operating systems such as Ubuntu, but this has not been tested. Executable versions of the code were built using PyInstaller. The version described in this report is an alpha version that is still in development. It has only been tested by the developer.

97 MATHEMATICS AND COMPUTING↗

Understanding Event Trajectories Across Massive Temporal Datasets with Word Embeddings and Visualization

In collaboration with researchers from Virginia Tech, Savannah River National Laboratory has continued development of a natural language processing pipeline to identify and extract events of interest from massive open data sources in the domain of worldwide state-sponsored civil nuclear energy. The foundation of the pipeline is built on compass aligned temporal word embedding models, whereby contextual shifts are automatically identified by comparing keyword embedding vectors across successive time windows. Within the approach, a contextual shift indicates the occurrence of a potential event of interest. However, in such a broad topical domain that captures events at a global scale, across various life cycle stages, and across numerous different technology types, a user that is monitoring events may have broad interests in capturing many different event types with varying degrees of signal. As such, the quantity of information that may be returned from an automated event extraction pipeline can be substantial, requiring manual effort to sift through the information to identify any relevant bits of information. Therefore, a more streamlined workflow that aids in directing a user toward specific information at different points in time is necessary. The workflow presented here has been developed with this concept in mind, built on top of the initial prototype event extraction pipeline, whereby a user can analyze temporal text-based data sources at multiple different contextual levels to isolate key points in time and key subdomains captured within a data corpus. Using multiple corpuses that consist of approximately 7 million Tweets and 7 million news articles, the team has extended compass aligned temporal word embedding models to establish an interconnected and hierarchical structure that relates known key words of interest to documents, local topics (i.e., within a time window), and global topics across the corpuses. All of this information is packaged into a visual analytics system that is linked to the information extraction pipeline and enables a user to identify contextual information that describes the evolution of a high dimensional embedding space across time to isolate changes of interest and explore associated events. This report demonstrates the use of these analytics and a means to fuse information across multiple datasets.

97 MATHEMATICS AND COMPUTING↗

DMTN-165: A Hybrid Notification and Alert Retrieval Service

We consider the implications of providing a subset of alert packet contents in the alert stream, with the full alert packets available for rate-limited retrieval using an identifier included in the "lightweight" alert. This hybrid approach would enable much wider dissemination of the complete lightweight alert stream, potentially to thousands more users than is possible in the current baseline. In turn this "alerts on your laptop" access would allow users to conduct more sophisticated filtering and analysis than the current Alert Filtering Service, increasing the overall scientific returns of the alert stream. Community brokers would still be able to retrieve all of the contents of the full alert stream within the 60 second latency window and would gain greater control over their ingestion of the bulk alert data. Technically, this hybrid system may represent a modest increase in complexity over the current baseline but is likely to be more operationally robust.

79 ASTRONOMY AND ASTROPHYSICS↗

HPOTP low-speed flexible rotor balancing, phase 1

A method was developed that shows promise in overcoming many balancing limitations. This method establishes one or more windows for low speed, out-of-housing balancing of flexible rotors. These windows are regions of speed and support flexibility where two conditions are simultaneously fulfilled. First, the rotor system behaves flexibly; therefore, there is separation among balance planes. Second, the response due to balance weights is large enough to reliably measure. The analytic formulation of the low-speed flexible rotor balancing method is described. The results of proof-of-principle tests conducted under the program are presented. Based on this effort, it is concluded that low speed flexible rotor balancing is a viable technology. In particular, the method can be used to balance a rotor bearing system at low speed which results in smooth operation above more than one bending critical speed. Furthermore, this balancing methodology is applicable to SSME turbopump rotors.

Giordano, J.↗

Focused Schlieren flow visualization studies of multiple venturi fuel injectors in a high pressure combustor

Multiple venturi fuel injectors were used to obtain uniform fuel distributions, better atomization and vaporization in the premixing/prevaporizing section of a lean premixed/prevaporized flame tube combustor. A focused Schlieren system was used to investigate the fuel/air mixing effectiveness of various fuel injection configurations. The Schlieren system was focused to a plane within the flow field of a test section equipped with optical windows. The focused image plane was parallel to the axial direction of the flow and normal to the optical axis. Images from that focused plane, formed by refracted light due to density gradients within the flow field, were filmed with a high-speed movie camera at framing rates of 8,000 frames per second (fps). Three fuel injection concepts were investigated by taking high-speed movies of the mixture flows at various operating conditions. The inlet air temperature was varied from 600 F to 1000 F, and inlet pressures from 80 psia to 150 psia. Jet-A fuel was used typically at an equivalence ratio of 0.5. The intensity variations of the digitized Schlieren images were analytically correlated to spatial density gradients of the mixture flows. Qualitative measurements for degree of mixedness, intensity of mixing, and mixing completion time are shown. Various mixing performance patterns are presented with different configurations of fuel injection points and operating conditions.

Chun, K. S.↗

Hydrocarbon-Fueled Rocket Plume Measurement Using Polarized UV Raman Spectroscopy

The influence of pressure upon the signal strength and polarization properties of UV Raman signals has been investigated experimentally up to pressures of 165 psia (11 atm). No significant influence of pressure upon the Raman scattering cross section or depolarization ratio of the N2 Raman signal was found. The Raman scattering signal varied linearly with pressure for the 300 K N2 samples examined, thus showing no enhancement of cross section with increasing pressure. However at the highest pressures associated with rocket engine combustion, there could be an increase in the Raman scattering cross section, based upon others' previous work at higher pressures than those examined in this work. The influence of pressure upon thick fused silica windows, used in the NASA Modular Combustion Test Article, was also investigated. No change in the transmission characteristics of the windows occurred as the pressure difference across the windows increased from 0 psig up to 150 psig. A calibration was performed on the UV Raman system at Vanderbilt University, which is similar to the one at the NASA-Marshall Test Stand 115. The results of this calibration are described in the form of temperature-dependent functions, f(T)'s, that account for the increase in Raman scattering cross section with an increase in temperature and also account for the reduction in collected Raman signal if wavelength integration does not occur across the entire wavelength range of the Raman signal. These functions generally vary only by approximately 10% across their respective temperature ranges, except for the case Of CO2, where there is a factor of three difference in its f(T) from 300 K to 2500 K. However this trend for CO2 is consistent with the experimental work of others, and is expected based on the low characteristic vibrational temperature Of CO2. A time-averaged temperature measurement technique has been developed, using the same equipment as for the work mentioned above, that is based upon high-spectral resolution UV Raman scattering. This technique can provide temperature measurements for flows where pressure cannot be measured.

Wehrmeyer, Joseph A.↗

Pressure Relief Valve

"Sputtering" is the process of applying film-like metal coatings onto a surface by bombarding the coating material with electrocharged ions. This causes the material to disintegrate and relocate on the substrate an atom layer at a time. The process allows a variety of coating materials to be deposited on various surfaces. Deposition Technology, Inc. (DTI) uses "sputtering" for window films, packaging materials, etc. Valves installed on two vacuum chambers which are part of DTI's system, were developed by Lewis Research Center and detailed in Tech Briefs. The valve protects the environment and frees the operator from monitoring the chamber venting.

Source record↗

In Pursuit of a Spectroscopic PSF for STlS First Order Modes

We are attempting to characterize the spectroscopic PSF of the STlS first order grating modes, primarily those that utilize the CCD. The goal is to extract spectroscopic information of sources approaching the diffraction limit of HST with STIS. Diffracted and scattered light of HST, scattered light effects within the STlS and performance of the detector are being considered. Filter fringing, CCD fringing, window reflections, scattering by the detector structure and other effects are being characterized. The response of the system when a fiducial is placed in the focal surface of STIS will be described.

Gull, Theodore R.↗