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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
NASA NTRS1950

Determination of aromatics and olefins in wide-boiling petroleum fractions

A chromatographic method is described herein for the analysis of aromatics and olefins in wide boiling petroleum fractions. The fuel is split into four fractions: nonaromatic, intermediate, pure aromatic, and wash. The analysis, which need be run only on the intermediate cut to determine aromatics in the fuel, is based on specific dispersion. With analysis times of less than 8 hours, accuracies of 1 percent were attained.

FUELS - TURBINE ENGINES, RAM JETS, AND PULSE JETS↗
NASA NTRS2016

Solar Powered CO.Sub.2 Conversion

Methods and devices for reducing CO.sub.2 to produce hydrocarbons are disclosed. A device comprises a photoanode capable of splitting H.sub.2O into electrons, protons, and oxygen; an electrochemical cell cathode comprising an electro-catalyst capable of reducing CO.sub.2; H.sub.2O in contact with the surface of the photoanode; CO.sub.2 in contact with the surface of the cathode; and a proton-conducting medium positioned between the photoanode and the cathode. Electrical charges associated with the protons and the electrons move from the photoanode to the cathode, driven in part by a chemical potential difference sufficient to drive the electrochemical reduction of CO.sub.2 at the cathode. A light beam is the sole source of energy used to drive chemical reactions. The photoanode can comprise TiO.sub.2 nanowires or nanotubes, and can also include WO.sub.3 nanowires or nanotubes, quantum dots of CdS or PbS, and Ag or Au nanostructures. The cathode can comprise a conductive gas diffusion layer with nanostructures of an electro-catalyst such as Cu or Co.

Chen, Bin↗
DOE OSTI2022

Effect of Initial Water Saturation on The Performance of Fracturing Fluids With and Without Polyallylamine under Simulated EGS Conditions

Objectives/Scope: StimuFrac (US Patents 9,873,828 B2 and 9,447,315 B2), a CO2-reactive polymer aqueous solution [polyallylamine (PAA) 1wt% in water] combined with CO2, can be used as a less water-intensive fracturing fluid for enhanced geothermal systems (EGS). Our previous results show that in hot dry rock (HDR), PAA/CO2 fracturing fluids outperformed other fluids such as water, CO2, and CO2/water in generating large fractures with less fluid consumed. The objective of this work is to study the effect of initial water saturation of rock on the performance of StimuFrac fluid in ½ foot cubic rock samples and under representative EGS pressure/temperature conditions using cyclic and constant flow rate injection strategies. The fracturing results are compared with results using different fracturing fluids in terms of controlling fracture propagation rates, fracture hydraulic conductivity, breakdown pressures and volumes of fluids required. Methods/Procedures/Process: In all tests, water was initially injected into the rock to increase the water saturation before the fracturing processes to simulate actual geothermal reservoir conditions. For the cyclic injection, one complete cycle consisted of (1) a PAA slug (or water slug) injection followed by (2) CO2 injection to initiate the fracture. In the second step of the first cycle, the pressure of CO2 is increased until a maximum pressure is reached (fracture is initiated at this moment), and then the injection of CO2 is allowed for another 30 seconds to propagate the fracture. Then, the two-step cycle of PAA followed by CO2 injection (up to 2-4 mL/min) was continued. For the constant flow rate injection strategies, the initial water saturation was increased by injecting water at 1000 psi and 200°C for three days. After that, an initial slug of water, CO2, or PAA was injected and then fracturing was initiated and propagated by injecting CO2 at a constant flow rate. Applications/Significance/Novelty: The results of this study suggest that water saturation, especially near the wellbore region, will significantly affect the fracturing fluid transmission into the rock porous media by changing the relative permeability of CO2 or water, thus affecting the fracture initiation and propagation. In this study, fracturing with cyclic injection or constant flow rate injection methods were performed using three different kinds of fluids systems. These fluids are water, CO2, or CO2 with PAA. Splitting the rock samples in half after fracturing reveals that the fracture propagation is significantly limited under these high water saturated conditions compared to dry initial conditions: The fractures propagate less than 1/3 length of the distance from the wellbore to rock surface, and in some cases no fracture is generated. This may be caused by the fact that leak-off is dominating the fracturing process and the injected fluid flow rate is not high enough to overcome the leak-off even under high flow rate injection conditions. Additionally, CO2 could be leaking off into the wellbore annulus and this may be making it more difficult to generate pressure gradients away from the near-wellbore region.

Jian, Guoqing↗
DOE OSTI2025

Designing molecular qubits: computational insights into first-row and group 6 transition metal complexes

In the realm of optically addressable qubits, a previously synthesized and characterized Cr( IV ) pseudo-tetrahedral complex, featuring four strongly donating ligands surrounding the chromium center, has demonstrated potential as a qubit candidate. This study proposes analogs of this complex through a metal substitution strategy, extending the investigation to different complexes based on metal centers selected from first-row and Group 6 transition metals. Computational modeling based on multiconfigurational methods CASPT2 and MC-PDFT was utilized to calculate energy gaps between ground and excited electronic spin states, and zero-field splitting parameters. Simulations were applied to each equilibrium geometry and related deformations based on vibrational modes. All results align with previous experimental findings, but also show that qubits based on V and Ti centers could be more electronically stable than the Cr one, suggesting a lower electronic features dependency from their related geometry. In some cases geometrical deformations provide changes in relative energy gaps between triplet and singlet excited state, that could potentially swap, offering a different initialization process, and some inspiration for ligand design based on such deformations. Additionally, this study identifies an unsynthesized Ti( II ) compound as a promising candidate for molecular qubits. This finding highlights the role of computational multireference methods in the rational design of qubit systems.

Sauza-de la Vega, Arturo [Univ. of Chicago, IL (Un↗
NASA NTRS1991

An equivalent domain integral method for three-dimensional mixed-mode fracture problems

A general formulation of the equivalent domain integral (EDI) method for mixed mode fracture problems in cracked solids is presented. The method is discussed in the context of a 3-D finite element analysis. The J integral consists of two parts: the volume integral of the crack front potential over a torus enclosing the crack front and the crack surface integral due to the crack front potential plus the crack face loading. In mixed mode crack problems the total J integral is split into J sub I, J sub II, and J sub III representing the severity of the crack front in three modes of deformations. The direct and decomposition methods are used to separate the modes. These two methods were applied to several mixed mode fracture problems, were analyzed, and results were found to agree well with those available in the literature. The method lends itself to be used as a post-processing subroutine in a general purpose finite element program.

Shivakumar, K. N.↗
NASA NTRS1992

An equivalent domain integral method for three-dimensional mixed-mode fracture problems

A general formulation of the equivalent domain integral (EDI) method for mixed mode fracture problems in cracked solids is presented. The method is discussed in the context of a 3-D finite element analysis. The J integral consists of two parts: the volume integral of the crack front potential over a torus enclosing the crack front and the crack surface integral due to the crack front potential plus the crack face loading. In mixed mode crack problems the total J integral is split into J sub I, J sub II, and J sub III representing the severity of the crack front in three modes of deformations. The direct and decomposition methods are used to separate the modes. These two methods were applied to several mixed mode fracture problems, were analyzed, and results were found to agree well with those available in the literature. The method lends itself to be used as a post-processing subroutine in a general purpose finite element program.

Shivakumar, K. N.↗
DOE OSTI2021

Data–Driven Velocity Model Evaluation Using K–Means Clustering

In this work, we develop a data-driven clustering method to evaluate a velocity model using surface wave velocity dispersion. This is done by first computing theoretical dispersion curves for 1-D velocity profiles of all the grid locations and then splitting the resulting dispersion curves into a certain number of groups via the K-means clustering. The observed dispersion curves are also clustered following the same procedure and the velocity model is assessed by comparing the spatial patterns obtained for the observed and synthetic data sets. The method is applied to evaluate two community velocity models in southern California, CVM-S4.26 and CVM-H15.1, using phase velocity maps derived for 3–16 s Rayleigh waves. We found a good correlation in the spatial distribution of clusters between the result of CVM-S4.26 and that of the observed data, suggesting that the CVM-S4.26 fits the observed dispersion maps better than the CVM-H15.1 in terms of features extracted from the clustering analysis.

58 GEOSCIENCES↗
NASA NTRS1995

Uncertainties for two-dimensional models of solar rotation from helioseismic eigenfrequency splitting

Observed solar p-mode frequency splittings can be used to estimate angular velocity as a function of position in the solar interior. Formal uncertainties of such estimates depend on the method of estimation (e.g., least-squares), the distribution of errors in the observations, and the parameterization imposed on the angular velocity. We obtain lower bounds on the uncertainties that do not depend on the method of estimation; the bounds depend on an assumed parameterization, but the fact that they are lower bounds for the 'true' uncertainty does not. Ninety-five percent confidence intervals for estimates of the angular velocity from 1986 Big Bear Solar Observatory (BBSO) data, based on a 3659 element tensor-product cubic-spline parameterization, are everywhere wider than 120 nHz, and exceed 60,000 nHz near the core. When compared with estimates of the solar rotation, these bounds reveal that useful inferences based on pointwise estimates of the angular velocity using 1986 BBSO splitting data are not feasible over most of the Sun's volume. The discouraging size of the uncertainties is due principally to the fact that helioseismic measurements are insensitive to changes in the angular velocity at individual points, so estimates of point values based on splittings are extremely uncertain. Functionals that measure distributed 'smooth' properties are, in general, better constrained than estimates of the rotation at a point. For example, the uncertainties in estimated differences of average rotation between adjacent blocks of about 0.001 solar volumes across the base of the convective zone are much smaller, and one of several estimated differences we compute appears significant at the 95% level.

Genovese, Christopher R.↗
NASA NTRS1992

Face-gear drives: Design, analysis, and testing for helicopter transmission applications

The use of face-gears in helicopter transmissions was explored. A light-weight, split-torque transmission design utilizing face-gears is described. Face-gear design and geometry were investigated. Topics included tooth generation, limiting inner and outer radii, tooth contact analysis, contact ratio, gear eccentricity, grinding, and structural stiffness. Design charts were developed to determine minimum and maximum face-gear inner and outer radii. An analytical study showed that the face-gear drive is relatively insensitive to gear misalignment with respect to transmission errors, but the tooth contact is affected by misalignment. A method of localizing the bearing contact to permit operation with misalignment was explored. Two new methods for grinding of the face-gear tooth surfaces were also investigated. The proper choice of shaft stiffness enabled good load sharing in the split-torque transmission design. Face-gear experimental studies were also conducted. These tests demonstrated the feasibility of face-gears in high-speed, high-load applications such as helicopter transmissions.

Litvin, F. L.↗
DOE OSTI2025

Unrolled Video Super-Resolution Network with Autoregressive Prior for the Case of Known Motion

Real-time detection and classification of distant objects is necessary for many national security applications. However, when objects are far from the sensor, they occupy only a small number of pixels in the captured video, limiting the amount of visual detail available for recognition. State-of-the-art classification methods typically rely on high-resolution (HR) video streams to capture characteristic object features, but obtaining such detail is challenging for distant objects that occupy only a few pixels. This motivates the development of video super-resolution (VSR) methods that enhance object classification by recovering fine details from low-pixel representations. Current VSR methods rely either on model-based optimization, which is interpretable but computationally expensive, or on learning-based approaches, which are efficient and high-performing but often lack flexibility and interpretability. In this report, we propose an end-to-end trainable unrolled VSR network, UVSRNet, which super-resolves each frame in a video by exploiting sub-pixel motion between neighboring low-resolution (LR) frames as well as incorporating high-frequency detail from previously super-resolved frames. In particular, by unrolling a plug-and-play (PnP) half-quadratic splitting (HQS) algorithm, we leverage a model-based data-fitting module alongside a learning-based autoregressive prior module. This combination yields a method that maintains the flexibility and interpretability of model-based methods while achieving the performance advantages of learning-based methods.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1994

Fourth order difference methods for hyperbolic IBVP's

Fourth order difference approximations of initial-boundary value problems for hyperbolic partial differential equations are considered. We use the method of lines approach with both explicit and compact implicit difference operators in space. The explicit operator satisfies an energy estimate leading to strict stability. For the implicit operator we develop boundary conditions and give a complete proof of strong stability using the Laplace transform technique. We also present numerical experiments for the linear advection equation and Burgers' equation with discontinuities in the solution or in its derivative. The first equation is used for modeling contact discontinuities in fluid dynamics, the second one for modeling shocks and rarefaction waves. The time discretization is done with a third order Runge-Kutta TVD method. For solutions with discontinuities in the solution itself we add a filter based on second order viscosity. In case of the non-linear Burger's equation we use a flux splitting technique that results in an energy estimate for certain different approximations, in which case also an entropy condition is fulfilled. In particular we shall demonstrate that the unsplit conservative form produces a non-physical shock instead of the physically correct rarefaction wave. In the numerical experiments we compare our fourth order methods with a standard second order one and with a third order TVD-method. The results show that the fourth order methods are the only ones that give good results for all the considered test problems.

Gustafsson, Bertil↗
DOE OSTI2020

Efficient and robust stability analysis in the internal energy, volume, and moles (UVN) space

Hydrodynamic simulation of fluids in vessels is often based on the internal energy (U), volume (V), and the number of moles of all components ( re N = N 1 , N 2 , ..., N n ) as the working variables to determine the thermodynamic state by finding the global maximum of entropy. The procedure of finding the equilibrium state may be divided into two steps: stability analysis and phase-split computations. Stability analysis is performed first, and the phase-split computation proceeds if the system is unstable. Most of the past work on UVN space has been based on phase-split computations, while the stability analysis is barely investigated. Furthermore, previous studies for the stability analysis use only Newton's method to solve the non-linear algebraic equations. We present an efficient and robust approach for stability analysis where UVN is specified. The successive substitution iteration (SSI) is used to provide good initial guesses for Newton's method. The proposed approach results in a reduced number of unknowns and does not require a large number of iterations to achieve convergence in Newton's method. Overall, our proposed formulation is compatible with different equations of state and is applicable to both pure component and multi-components. The robustness and efficiency of the algorithm for stability analysis are demonstrated in various examples.

02 PETROLEUM↗
DOE OSTI2019

Mitigating Measurement Artifacts in TOF-SIMS Analysis of Perovskite Solar Cells

Time-of-flight secondary ion mass spectrometry (TOF-SIMS) is one of the few techniques that can specifically distinguish between organic cations such as methylammonium and formamidinium. Distinguishing between these two species can lead to specific insight into the origins and evolution of compositional inhomogeneity and chemical gradients in halide perovskite solar cells, which appears to be a key to advancing the technology. TOF-SIMS can obtain chemical information from hybrid organic-inorganic perovskite solar cells (PSCs) in up to three dimensions, while not simply splitting the organic components into their molecular constituents (C, H, and N for both methylammonium and formamidinium), unlike other characterization methods. Here, we report on the apparently ubiquitous A-site organic cation gradient measured when doing TOF-SIMS depth-profiling of PSC films. Using thermomechanical methods to cleave perovskite samples at the buried glass/transparent conducting oxide interface enables depth profiling in a reverse direction from normal depth profiling (backside depth profiling). When comparing the backside depth profiles to the traditional front side profiled devices, an identical slight gradient in the A-site organic cation signal is observed in each case. This indicates that the apparent A-site cation gradient is a measurement artifact due to beam damage from the primary ion beam causing a continually decreasing ion yield for secondary ions of methylammonium and formamidinium. This is due to subsurface implantation and bond breaking from the 30 keV bismuth primary ion beam impact when profiling with too high of a data density. Here, we show that the beam-generated artifact associated with this damage can mostly be mitigated by altering the measurement conditions. We also report on a new method of depth profiling applied to PSC films that enables enhanced sensitivity to halide ions in positive measurement polarity, which can eliminate the need for a second measurement in negative polarity in most cases.

14 SOLAR ENERGY↗
DOE OSTI2021

Leveraging Topological Events in Tracking Graphs for Understanding Particle Diffusion

Abstract Single particle tracking (SPT) of fluorescent molecules provides significant insights into the diffusion and relative motion of tagged proteins and other structures of interest in biology. However, despite the latest advances in high‐resolution microscopy, individual particles are typically not distinguished from clusters of particles. This lack of resolution obscures potential evidence for how merging and splitting of particles affect their diffusion and any implications on the biological environment. The particle tracks are typically decomposed into individual segments at observed merge and split events, and analysis is performed without knowing the true count of particles in the resulting segments. Here, we address the challenges in analyzing particle tracks in the context of cancer biology. In particular, we study the tracks of KRAS protein, which is implicated in nearly 20% of all human cancers, and whose clustering and aggregation have been linked to the signaling pathway leading to uncontrolled cell growth. We present a new analysis approach for particle tracks by representing them as tracking graphs and using topological events – merging and splitting, to disambiguate the tracks. Using this analysis, we infer a lower bound on the count of particles as they cluster and create conditional distributions of diffusion speeds before and after merge and split events. Using thousands of time‐steps of simulated and in‐vitro SPT data, we demonstrate the efficacy of our method, as it offers the biologists a new, detailed look into the relationship between KRAS clustering and diffusion speeds.

McDonald, T.↗
DOE OSTI2023

Reducing Southern Ocean Shortwave Radiation Errors in the ERA5 Reanalysis with Machine Learning and 25 Years of Surface Observations

Earth system models struggle to simulate clouds and their radiative effects over the Southern Ocean, partly due to a lack of measurements and targeted cloud microphysics knowledge. We have evaluated biases of downwelling shortwave radiation in the ERA5 climate reanalysis using 25 years (1995–2019) of summertime surface measurements, collected on the Research and Supply Vessel (RSV) Aurora Australis, the Research Vessel (R/V) Investigator, and at Macquarie Island. During October–March daylight hours, the ERA5 simulation of SW down exhibited large errors (mean bias = 54 W m -2 , mean absolute error = 82 W m -2 , root-mean-square error = 132 W m -2 , and R 2 = 0.71). To determine whether we could improve these statistics, we bypassed ERA5’s radiative transfer model for SW down with machine learning–based models using a number of ERA5’s gridscale meteorological variables as predictors. These models were trained and tested with the surface measurements of SW down using a 10-fold shuffle split. An extreme gradient boosting (XGBoost) and a random forest–based model setup had the best performance relative to ERA5, both with a near complete reduction of the mean bias error, a decrease in the mean absolute error and root-mean-square error by 25% ± 3%, and an increase in the R 2 value of 5% ± 1% over the 10 splits. Large improvements occurred at higher latitudes and cyclone cold sectors, where ERA5 performed most poorly. We further interpret our methods using Shapley additive explanations. Our results indicate that data-driven techniques could have an important role in simulating surface radiation fluxes and in improving reanalysis products.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

Disintegration phenomena in Comet West

Two peculiarities of Comet West, the multiple splitting of the nucleus as seen in telescope observations and the complex structure of the dust tail, are discussed. A method of analysis based on the premise that the observed rate of separation of a fragment from the principal nucleus is determined by the difference in effective solar attraction acting on the bodies is applied to investigate the motion of the four fragments that separated from the nucleus of Comet West. The predicted motion of the fragments is in good agreement with available observations. It is suggested that the 'synchronic' bands of the dust tail consist of tiny fragments from relatively large particles that burst after release from the comet. The unusual orientation of these bands and their high surface brightness relative to the diffuse tail are explained by a sudden increase in the particle acceleration and in the total scattering surface as the result of the disintegration of the larger particles.

Sekanina, Z.↗
NASA NTRS1986

Optimum retrieval of precipitable water fields from VAS and surface data

The use of VAS radiances and conventional surface data to determine the optimum resolution and accuracy of low-level precipitable water fields retrieved from geosynchronous satellite observations is examined. VAS retrievals of precipitated water (PW) are compared with various channel selections in the regression algorithm and with the split window algorithm. The split window algorithm and the linear regression algorithm are described. Consideration is given to the sounding-field-of-view (SFOV) resolution; the data reveal that the optimum resolution for the split window algorithm is at 15-60 km resolution, and 30-60 km SFOV resolution is optimal for the regression method. Statistics and images from PW retrieval experiments conducted on July 13, 1981 are presented and utilized to determine optimum channel selection. A fast contouring method for VAS sounding images is proposed.

Chesters, Dennis↗