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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantum Phase Transition in the Spin-Boson Model: A Multilayer Multiconfiguration Time-Dependent Hartree Study

The multilayer improved relaxation is applied to study the delocalization–localization transition in the spin-boson model at zero temperature—a well-known example of quantum phase transition. Calculations of energy eigenstates are obtained by iteratively diagonalizing the matrix of the Boltzmann operator in the top layer representation, using a Lanczos/Arnoldi method while relaxing the single particle functions of all layers using the multilayer multiconfiguration time-dependent Hartree imaginary time propagation. Two properties are used to examine the quantum phase transition: the energy splitting for the lowest pair of eigenstates and the magnetic susceptibility. Finally, consistent findings are obtained with appropriate scaling parameters.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Electromagnetic Transient Simulation of Large-Scale Inverter-Based Resources With High-Granularity

The power grid is undergoing a significant transformation with the rapid increase in inverter-based resources (IBRs), including large-scale photovoltaic (PV) plants. Ensuring reliable and resilient grid operation in this new paradigm necessitates high-granularity electromagnetic transient (EMT) modeling that accurately captures the behavior of individual inverters and their interactions within IBR plants. Central to this approach is the detailed representation of both the IBR plant’s collector system and the dynamics of individual inverters. To achieve this, a high-granularity EMT model of a large-scale PV plant has been developed using advanced simulation algorithms, including matrix splitting and the Schur complement. These proposed techniques significantly enhance simulation speed, numerical stability, and accuracy while improving the modularity and efficiency of the collector system’s representation. The effectiveness of the proposed methods is validated through simulations of a representative large-scale PV plant consisting of 125 individual PV inverters, 25 IBR unit transformers, and a 52-bus collector system.

Choi, Jongchan [Oak Ridge National Laboratory (ORN↗
NASA NTRS1987

Nonlinear dynamic analysis of quasi-symmetric anisotropic structures

An efficient computational method for the nonlinear dynamic analysis of quasi-symmetric anisotropic structures is proposed. The application of mixed models simplifies the analytical development and improves the accuracy of the response predictions, and operator splitting allows the reduction of the analysis model of the quasi-symmetric structure to that of the corresponding symmetric structure. The preconditoned conjugate gradient provides a stable and effective technique for generating the unsymmetric response of the structure as the sum of a symmetrized response plus correction modes. The effectiveness of the strategy is demonstrated with the example of a laminated anisotropic shallow shell of quadrilateral planform subjected to uniform normal loading.

Noor, Ahmed K.↗
NASA NTRS1991

The application of experimental data to blade wake interaction noise prediction

Blade wake interaction noise (BWI) has been defined as the broadband noise generated by the ingestion of turbulent trailing tip vortices by helicopter rotors. This has been shown to be the dominant contributor to the subjectively important part of the acoustic spectrum for the approach stage of a helicopter flyover. A prediction method for BWI noise based on the calculated trailing vortex trajectories has been developed and estimates of the vortex turbulence have been made. These measurements were made on a trailing vortex from a split wing arrangement and did not give the spectrum of the velocity fluctuations. A recent experiment carried out to measure the turbulence associated with a trailing vortex and the application of the results to BWI noise prediction is described.

Glegg, Stewart A. L.↗
NASA NTRS1992

A unified perturbation expansion for surface scattering

Starting with the extinction theorem, a perturbation expansion which, to first and second orders, converges over a wider domain than the small perturbation expansion and the momentum transfer expansion is presented. It is shown that, in the appropriate limits, both of these theories, as well as the two-scale expansion, are recovered. There is no adjustable parameter, such as a spectral split, in the theory. This theory is applied to random rough surfaces and derive analytic expressions for the coherent field and the bistatic cross section. Finally, a numerical test of the theory against method of moments results for Gaussian random rough surfaces with a power law spectrum is given. These results show that the expansion is ramarkably accurate over a large range of surface heights and slopes for both horizontal and vertical polarization.

Rodriguez, Ernesto↗
NASA NTRS2006

Emergency Oxygen System Evaluation for Exploration PLSS Applications

The Portable Life Support System (PLSS) emergency oxygen system is being reexamined for the next generation of suits. These suits will be used for transit to Low Earth Orbit, the Moon and to Mars as well as on the surface of the Moon and Mars. Currently, the plan is that there will be two different sets of suits, but there is a strong desire for commonality between them for construction purposes. The main purpose of this paper is to evaluate what the emergency PLSS requirements are and how they might best be implemented. Options under consideration are enlarging the tanks on the PLSS, finding an alternate method of storage/delivery, or providing additional O2 from an external source. The system that shows the most promise is the cryogenic oxygen system with a composite dewar which uses a buddy system to split the necessary oxygen between two astronauts.

Heather, Paul↗
NASA NTRS2023

Split-Step Simulations to Assess the Effects of Atmospheric Boundary Layer Turbulence on the Dose Variability of N-Waves and Shaped Booms

The effects of atmospheric boundary layer turbulence on the loudness variability of a sonic boom N-wave and shaped boom are examined with split-step simulations. The shaped boom is representative of a design iteration of the NASA X-59 aircraft. Inhomogeneous atmospheric boundary layer turbulence is generated in the computational domain by a Fourier synthesis method. The N-wave and shaped boom are propagated through turbulent fields representing eight different convection levels measured at the NASA Kennedy Space Center and the NASA Armstrong Flight Research Center. Probability density functions of the formation of caustic regions along the propagation direction are computed from the N-wave results, and a parameter to collapse the caustic PDFs that accounts for both fluctuation intensities and length scales is proposed. Statistical results concerning loudness metric variability are presented, and the standard deviations of several metrics are shown to collapse across different convection levels of turbulence for small nondimensional propagation distances. The loudness metric distributions are observed to be well approximated by a normal distribution for a given range of propagation distances, and become increasingly skewed as distance increases. A model function for the dose variability is proposed, and the function parameters are found to be related to the convection level of the turbulence. The model for the dose variability distribution is compared to simulation data that were not used to find the regression parameters of the model. At several nondimensional propagation distances, agreement is observed between the model and the simulation data. These results indicate that the model may be suitable for providing quick estimates of noise dose variability in the primary carpet region across a wide range of atmospheric boundary layer conditions.

Sonic boom↗
NASA NTRS1987

Computational and experimental investigation of cavity flowfields

This paper presents a computational and experimental investigation of supersonic flow past a cavity in a flat plate. The source of the particular interest in this problem is the ongoing study of the aerodynamic interference effects between a separating store and its bay in the parent body. An upwind relaxation scheme, utilizing flux vector splitting and line-Gauss-Seidel iterations, is used to solve Reynolds-averaged Navier-Stokes equations. Spatial discretizations of this two-dimensional analysis are based on implicit and finite-volume methods. Turbulence is modeled and shocks are captured. The flowfield of the symmetry plane at the half-width is computationally visualized and all flow properties are computed. Experimental tests are conducted in the Langley Unitary Plan Wind Tunnel to measure wall pressures and to capture schlieren photographs. Qualitative as well as quantitative data of computations and experiments agree very well. These two vehicles of investigation are merged to show open, closed and transitional cavity flow behaviors.

Baysal, O.↗
NASA NTRS1992

An efficient pressure-velocity procedure for gas-droplet two-phase flow calculations

This paper presents a noniterative numerical technique for computing time-dependent gas-droplet flows. The method is a fully interacting combination of Eulerian fluid and Lagrangian particle calculations. The interaction calculations between the two phases are formulated on a pressure-velocity-coupling procedure based on the operator-splitting technique. This procedure eliminates the global iterations required in the conventional particle-source-in-cell procedure. Turbulent dispersion calculations are treated by a stochastic procedure. Numerical calculations and comparisons with available experimental data as well as efficiency assessments are given for some sprays typical of spray combustion applications.

Chen, C. P.↗
NASA NTRS1941

Tests of the NACA 0025 and 0035 Airfoils in the Full-Scale Wind Tunnel

This report presents the results of an investigation conducted in the NACA full-scale wind tunnel to determine the aerodynamic characteristics of the 6 by 36-foot rectangular NACA 0025 and 0035 airfoils. The aerodynamic characteristics of the plain airfoils with rounded and square tips were determined by force tests through a complete angle-of-attack range, in addition, the profile drag was determined by the momentum method. The transition points on the airfoils were located by boundary-layer determinations with small total-head and static tubes. Each airfoil was also tested with a 0.20c full-span split flap. Tuft surveys were included to show the progressive breakdown of flow with increasing angles of attack. Previously published data from tests of the NACA 0009, 0012, and 0018 airfoils in the full-scale tunnel have been included in the summary curves.

Bullivant, W Kenneth↗
NASA NTRS2006

Global Energy and Aviation Concerns

Renewable energy sources are usually diffuse and require large facilities. Biofuels work better, are more economical to produce for ground transportation, but sharply increase competition for food croplands. Noble laureate Richard Smalley (deceased-2005) conceptual 20 TWe power generation covers hundreds x hundreds of miles. Combined with Fuller s superconducting power grid system would enable renewable planetary energy. A solar-wind project in Australia will have a 7km diameter collector interfacing with a 1 km tower to extract 200 MW from wind turbines mounted at the base. GE Energy s 3.5MW Wind Turbine is large and placing this in perspective, it is as if one were rotating a Boeing 747-200; the blade diameter is that large. Wind turbines are rapidly gaining popularity in Europe and photovoltaic (PV) is expected to also expand rapidly. It becomes clear that we need (and still have time) to develop new sources of energy. Hf 178 bombarded by X-rays produces Gamma-rays for heating. The reaction stops when the X-rays stop; the half life is about 30 years and seems manageable vs 30 000 years. Water splitting needs to be perused as do ultra fast ultra intense laser applications in terms of fusion and new materials developments including new ways to strip and re-bind hydrogen into fuels. New methods and tools for development are being found in quantum mechanical applications to macro-systems and need to be developed into a set of new tool boxes for development of these new energy sources.

Hendricks, Robert C.↗
NASA NTRS2015

Smart Optical Material Characterization System and Method

Disclosed is a system and method for characterizing optical materials, using steps and equipment for generating a coherent laser light, filtering the light to remove high order spatial components, collecting the filtered light and forming a parallel light beam, splitting the parallel beam into a first direction and a second direction wherein the parallel beam travelling in the second direction travels toward the material sample so that the parallel beam passes through the sample, applying various physical quantities to the sample, reflecting the beam travelling in the first direction to produce a first reflected beam, reflecting the beam that passes through the sample to produce a second reflected beam that travels back through the sample, combining the second reflected beam after it travels back though the sample with the first reflected beam, sensing the light beam produced by combining the first and second reflected beams, and processing the sensed beam to determine sample characteristics and properties.

Choi, Sang Hyouk↗
NASA NTRS2016

Accuracy of RT Code SORD for Realistic Atmospheric Profiles

We discuss accuracy of our recently developed RT code SORD using 2 benchmark scenarios published by the IPRT group in 2015. These scenarios define atmospheres with a complicate dependence of scattering and absorption properties over height (profile). Equal step, dh=1km, is assumed in the profiles. We developed subroutines that split such atmospheres into layers of the same optical thickness, d tau. We provide full text of the subroutines with comments in Appendix. The d tau is a step for vertical integration in the method of successive orders. Modification of the input profiles from "equal step over h" to "equal step over tau" changes input for RT simulations. This may cause errors at or above the acceptable level of the measurement uncertainty. We show errors of the RT code SORD for both intensity and polarization. In addition to that, using our discrete ordinates RT code IPOL, we discuss one more IPRT scenario, in which changes in height profile indeed cause unacceptable errors. Clear understanding of source and magnitude of these errors is important, e.g. for the AERONET retrieval algorithm. SORD is available from ftp://maiac.gsfc.nasa.gov/pub/skorkin/SORD_IP_16B/ or by email request from the first author.

polarization↗
DOE OSTI2020

Temperature and Solvent Effects on H 2 Splitting and Hydricity: Ramifications on CO 2 Hydrogenation by a Rhenium Pincer Catalyst

The catalytic hydrogenation of carbon dioxide holds immense promise for applications in sustainable fuel synthesis and hydrogen storage. Mechanistic studies that connect thermodynamic parameters with the kinetics of catalysis can provide new understanding and guide predictive design of improved catalysts. Reported here are thermochemical and kinetic analyses of a new pincer-ligated rhenium complex ( tBu POCOP)Re(CO) 2 ( tBu POCOP = 2,6-bis(di-tert-butylphosphinito)phenyl) that catalyzes CO 2 hydrogenation to formate with faster rates at lower temperature. Because the catalyst follows the prototypical “outer sphere” hydrogenation mechanism, comprehensive studies of temperature and solvent effects on the H 2 splitting and hydride transfer steps are expected to be relevant to many other catalysts. Strikingly large entropy associated with cleavage of H2 results in a strong temperature dependence on the concentration of [( tBu POCOP)Re(CO) 2 H] – present during catalysis, which is further impacted by changing the solvent from toluene to tetrahydrofuran to acetonitrile. New methods for determining the hydricity of metal hydrides and formate at temperatures other than 298 K were developed, providing insight into how temperature can influence the favorability of hydride transfer during catalysis. These thermochemical insights guided the selection of conditions for CO 2 hydrogenation to formate with high activity (up to 364 h –1 at 1 atm or 3330 h –1 at 20 atm of 1:1 H 2 CO 2 ). In cases where hydride transfer is the highest individual kinetic barrier, entropic contributions to outer sphere H 2 splitting lead to a unique temperature dependence: catalytic activity increases as temperature decreases in tetrahydrofuran (200-fold increase upon cooling from 50 to 0 °C) and toluene (4-fold increase upon cooling from 100 to 50 °C). Furthermore, the ramifications on catalyst structure-function relationships are discussed, including comparisons between “outer sphere” mechanisms and metal–ligand cooperation mechanisms.

14 SOLAR ENERGY↗
DOE OSTI2020

Forecasting the Decay of Hybrid Perovskite Performance Using Optical Transmittance or Reflected Dark-Field Imaging

The practicality and economic viability of hybrid perovskite solar cells hinge on their operational lifetime, and methods for forecasting the performance of perovskites under different operational stresses are urgently needed. Here, we explore the evolution of material-level optoelectronic properties as MAPbI 3 degrades and discover universal behaviors where the carrier diffusion length (L D ) decays before quasi-Fermi-level splitting (ΔE F ), regardless of the specific stress protocol (oxygen, humidity, thermal stress, or a combination). We employ a machine learning greedy feature selection model that uses initially measured properties to predict the time it takes L D to decrease to 85% of its initial value with a prediction accuracy of 12.8%. This model reveals a strong correlation between the initial rate of transmittance change and the time until loss of transport. We translate this material-level finding to photovoltaic device-level forecasting by demonstrating that the rate of change of transmittance is equivalent to the rate of change of the spatial standard deviation of dark-field image intensity (i.e., scattered light intensity) collected in reflection mode (and thus applicable to devices with opaque contacts). Furthermore, this work demonstrates that transmittance and scattering methods are highly effective for accelerated material (and device) stability evaluation and forecasting.

14 SOLAR ENERGY↗
DOE OSTI2021

Effects of multiple simultaneous faults on characteristic fault detection features of a heat pump in cooling mode

Faults in air-cooled vapor compression air-conditioning systems are known to reduce performance, including efficiency, capacity, and lifespan. Their effects have been studied, and fault detection and diagnostic (FDD) methods have been developed as tools for field technicians to install or repair systems, or for monitoring to alert operators to the fault’s presence. Most of this work has focused on faults that occur singly. It is likely that in some systems, multiple faults occur simultaneously, but it is uncertain what effects this may have on diagnostics. Here, this paper describes a laboratory study of a split system air source heat pump in which combinations of two, three, and four simultaneous faults occur. The study includes all combinations of: improper evaporator airflow; overcharge or undercharge of refrigerant; liquid line restrictions; and non-condensable gas in the refrigerant, each at multiple fault intensities. Fault features – those characteristics that can be determined from measurements, for use in diagnostics – are analyzed, and the key fault features are presented. A robust existing method for determining refrigerant charge, the virtual refrigerant charge sensor (VRC) is tested using the multiple fault data, in order to understand how its performance is impacted by the combined faults. The VRC performs well, typically able to correctly determine whether a system is undercharged or overcharged, but the magnitude estimates are impacted. The results suggest that simple subcooling-based methods of charging a system are likely to provide unsatisfactory results when other faults are present.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Data-driven predictions of complex organic mixture permeation in polymer membranes

Membrane-based organic solvent separations are rapidly emerging as a promising class of technologies for enhancing the energy efficiency of existing separation and purification systems. Polymeric membranes have shown promise in the fractionation or splitting of complex mixtures of organic molecules such as crude oil. Determining the separation performance of a polymer membrane when challenged with a complex mixture has thus far occurred in an ad hoc manner, and methods to predict the performance based on mixture composition and polymer chemistry are unavailable. Here, we combine physics-informed machine learning algorithms (ML) and mass transport simulations to create an integrated predictive model for the separation of complex mixtures containing up to 400 components via any arbitrary linear polymer membrane. We experimentally demonstrate the effectiveness of the model by predicting the separation of two crude oils within 6-7% of the measurements. Integration of ML predictors of diffusion and sorption properties of molecules with transport simulators enables for the rapid screening of polymer membranes prior to physical experimentation for the separation of complex liquid mixtures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Formation of HONO from the NH 3 -promoted hydrolysis of NO 2 dimers in the atmosphere

One challenging issue in atmospheric chemistry is identifying the source of nitrous acid (HONO), which is believed to be a primary source of atmospheric “detergent” OH radicals. Herein, we show a reaction route for the formation of HONO species from the NH 3 -promoted hydrolysis of a NO 2 dimer (ONONO 2 ), which entails a low free-energy barrier of 0.5 kcal/mol at room temperature. Our systematic study of HONO formation based on NH 3 + ONONO 2 + n H 2 O and water droplet systems with the metadynamics simulation method and a reaction pathway searching method reveals two distinct mechanisms: ( i ) In monohydrates ( n = 1), tetrahydrates ( n = 4), and water droplets, only one water molecule is directly involved in the reaction (denoted the single-water mechanism); and ( ii ) the splitting of two neighboring water molecules is seen in the dihydrates ( n = 2) and trihydrates ( n = 3) (denoted the dual-water mechanism). A comparison of the computed free-energy surface for NH 3 -free and NH 3 -containing systems indicates that gaseous NH 3 can markedly lower the free-energy barrier to HONO formation while stabilizing the product state, producing a more exergonic reaction, in contrast to the endergonic reaction for the NH 3 -free system. More importantly, the water droplet reduces the free-energy barrier for HONO formation to 0.5 kcal/mol, which is negligible at room temperature. We show that the entropic contribution is important in the mechanism by which NH 3 promotes HONO formation. Furthermore, this study provides insight into the importance of fundamental HONO chemistry and its broader implication to aerosol and cloud processing chemistry at the air–water interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗