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DOE OSTI2025

C3MechLite: An integrated component library of compact kinetic mechanisms for low-carbon, carbon neutral and zero-carbon fuels

Based on our latest detailed chemical reaction mechanism, C3MechV4.0, we have developed two reduced reaction mechanisms—C3MechLite and C3MechCore—targeting C 0 –C 3 chemical species including NH 3 . C3MechLite (61 species), contains a number of species comparable to GRI-Mech (53 species), that can accurately predict the combustion characteristics of hydrogen, carbon monoxide, ammonia, methane, natural gas, nitrogen oxides, and their mixtures for a wide range of conditions. C3MechCore (118 species) targets a more comprehensive range of C 0 –C 3 fuels, including ammonia, methanol, ethanol, and dimethyl ether. Both mechanisms demonstrate predictive accuracy comparable to C3MechV4.0 for the combustion characteristics of the target fuels. C3MechLite is designed with a component library structure, enabling further reduction in mechanism size depending on the fuel(s) of interest for 2D/3D numerical simulations. Various combinations of component libraries were validated, and the average prediction error remains within 1 % compared to C3MechLite. Furthermore, the mechanism was applied to 3D LES simulations of H 2 lifted flames and was confirmed to reproduce flame characteristics with high accuracy. C3MechLite and its component library structure enable high-fidelity and computationally efficient chemical kinetic mechanisms, paving the way for application in more complex combustion simulations.

Ammonia↗

NASA NTRSDate not supplied

NASA NDE Fracture Critical Detectable Flaw Sizes History and Methodology

NASA requires that NDE methods and inspectors demonstrate 90% Probability of Detection (POD) with 95% confidence for critical flaw sizes when inspecting fracture critical metallic components. NASA addresses the known variability of NDE inspector capability in two ways. The first, Special NDE, requires that every inspector demonstrate the required 90/95 POD, which is resource intensive. The second approach is Standard NDE for which conservative flaw sizes for different NDE methods are provided such that it is expected that most properly trained inspectors will exceed the 90/95 POD requirement. As such, individual POD demonstration testing is not required. The origin of NASA Standard NDE dates to the start of the Space Shuttle Program in the early 1970’s. In the first study to quantitatively assess NDE methods and inspectors, the performance of multiple inspectors was evaluated for different NDE methods using a large set of fatigue cracked specimens. A rudimentary POD analysis was performed to estimate the 90/95 POD flaw size for each inspector for each method. Additionally, the average and standard deviation of the 90/95 POD flaw size across the multiple inspectors was calculated to estimate the flaw size for which 95 percent of inspectors would provide the 90/95 POD capability. These estimated 90/95/95 POD flaw sizes evolved into the NASA Standard NDE flaw sizes still in use for structural analysis five decades later. The methodology for performing Standard NDE POD studies was never documented in NASA requirements. Furthermore, POD analysis methods have significantly evolved since this seminal study. Likewise, NDE methods have improved and there has been a push to reassess Standard NDE flaw sizes for existing methods, and to develop Standard NDE flaw sizes for new methods such as digital radiography. In this study, a Standard NDE POD methodology was developed and baselined using the historical data. This reanalysis of the historical data identified several deficiencies in the original test plan as well as an overall lack of conservatism in the estimated 90/95/95 POD flaw sizes. The results of this historical review and the new methodology are being incorporated into an update of NASA NDE POD requirements.

Nondestructive Evaluation↗

DOE OSTI2021

Using Bayesian Methodology to Estimate Liquefied Natural Gas Leak Frequencies

This analysis provides estimates on the leak frequencies of nine components found in liquefied natural gas (LNG) facilities. Data was taken from a variety of sources, with 25 different data sets included in the analysis. A hierarchical Bayesian model was used that assumes that the log leak frequency follows a normal distribution and the logarithm of the mean of this normal distribution is a linear function of the logarithm of the fractional leak area. This type of model uses uninformed prior distributions that are updated with applicable data. Separate models are fit for each component listed. Five order-of-magnitude fractional leak areas are considered, based on the flow area of the component. Three types of supporting analyses were performed: sensitivity of the model to the data set used, sensitivity of the leak frequency estimates to differences in the model structure or prior distributions, and sufficiency of sample sized used for convergence. Recommended leak frequency distributions for all component types and leak sizes are given. These leak frequency predictions can be used for quantitative risk assessments in the future.

03 NATURAL GAS↗

DOE OSTI2024

Observation of Thermally Induced Piezomagnetic Switching in Cu 2 OSeO 3 Polymorph Synthesized under High-Pressure

A polymorph of Cu 2 OSeO 3 with the distorted kagome lattice is successfully obtained using the high-pressure synthesis technique (Cu 2 OSeO 3 -HP). The structural analysis using X-ray and neutron powder diffraction suggests that the tetrahedral Cu 2+ clusters [similar to those in Cu 2 OSeO 3 ambient-pressure phase (Cu 2 OSeO 3 -AP)] exist in Cu 2 OSeO 3 -HP but with three symmetry inequivalent sites. No structural change is observed between 1.5 K and the room temperature. The complex magnetic H-T phase diagram is established based on the temperature- and field-dependent magnetization data, indicating two distinct antiferromagnetic phases at low and intermediate temperatures, in addition to the higher-temperature spin-glass-like phase. The low temperature phase is identified by neutron powder diffraction refinements as a canted noncollinear antiferromagnetic order with a weak ferromagnetic component along the b-axis. Size of the refined ordered moment is ≈1.00(4) µ B in Cu 2 OSeO 3 -HP, indicating a large enhancement compared to that of Cu 2 OSeO 3 -AP (≈0.61 µ B ). By applying a uniaxial stress, finite enhancement of weak ferromagnetic component in the noncollinear antiferromagnetic phase in Cu 2 OSeO 3 -HP is observed, which is the clear evidence of the piezomagnetic effect. Interestingly, the sign of the induced magnetization changes on heating from the low-temperature to the intermediate-temperature phases, indicating a novel piezomagnetic switching effect in this compound.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Propulsion system filter sizing considerations for the Galileo spacecraft

Filtration capacity of the Galileo propulsion system has been investigated. Ground testing of flight spare components has been conducted to determine the representative number and size distribution of particulate matter collected in flow tests. For these tests and for filter qualification tests, a number of effects were examined. The influence of gravitational particle settling on ground test results vs the flight environment was considered. Centrifugal effects inherent in the test apparatus and/or the propulsion system could have an influence. Variability among particle sizing techniques was explored. The influence of size distribution, particle shape, and density in the choice of a particulate test material was studied. Characteristics for AC Coarse Dust (an industry standard filter test media), microscopic polymer beads, and aluminum oxide particulate test matter are listed. Filtration tests were conducted using AC Coarse Dust and mixtures containing components of AC Coarse Dust. These results are expected to be useful data for filter sizing of future spacecraft.

Jan, Darrell L.↗

NASA NTRS2017

Thermal Inspection of a Composite Fuselage Section Using a Fixed Eigenvector Principal Component Analysis Method

A composite fuselage aircraft forward section was inspected with flash thermography. The fuselage section is 24 feet long and approximately 8 feet in diameter. The structure is primarily configured with a composite sandwich structure of carbon fiber face sheets with a Nomex(Trademark) honeycomb core. The outer surface area was inspected. The thermal data consisted of 477 data sets totaling in size of over 227 Gigabytes. Principal component analysis (PCA) was used to process the data sets for substructure and defect detection. A fixed eigenvector approach using a global covariance matrix was used and compared to a varying eigenvector approach. The fixed eigenvector approach was demonstrated to be a practical analysis method for the detection and interpretation of various defects such as paint thickness variation, possible water intrusion damage, and delamination damage. In addition, inspection considerations are discussed including coordinate system layout, manipulation of the fuselage section, and the manual scanning technique used for full coverage.

Zalameda, Joseph N.↗

DOE OSTI2021

Understanding Carbon Dioxide Transfer in Direct Methanol Fuel Cells Using a Pore-Scale Model

Abstract The gas flow of carbon dioxide from the catalyst layer (CL) through the microporous layer (MPL) and gas diffusion layer (GDL) has great impacts on the water and fuel management in direct methanol fuel cells (DMFCs). This work has developed a liquid–vapor two-phase model considering the counter flow of carbon dioxide gas, methanol, and water liquid solution in porous electrodes of DMFC. The model simulation includes the capillary pressure as well as the pressure drop due to flow resistance through the fuel cell components. The pressure drop of carbon dioxide flow is found to be about two to three orders of magnitude higher than the pressure drop of the liquid flow. The big difference between liquid and gas pressure drops can be explained by two reasons: volume flowrate of gas is three orders of magnitude higher than that of liquid; only a small fraction of pores (<5%) in hydrophilic fuel cell components are available for gas flow. Model results indicate that the gas pressure and the mass transfer resistance of liquid and gas are more sensitive to the pore size distribution than the thickness of porous components. To buildup high gas pressure and high mass transfer resistance of liquid, the MPL and CL should avoid micro-cracks during manufacture. Distributions of pore size and wettability of the GDL and MPL have been designed to reduce the methanol crossover and improve fuel efficiency. The model results provide design guidance to obtain superior DMFC performance using highly concentrated methanol solutions or even pure methanol.

Electrochemistry↗

NASA NTRS2001

Dynamics of the spatial scale of visual attention revealed by brain event-related potentials

The temporal dynamics of the spatial scaling of attention during visual search were examined by recording event-related potentials (ERPs). A total of 16 young participants performed a search task in which the search array was preceded by valid cues that varied in size and hence in precision of target localization. The effects of cue size on short-latency (P1 and N1) ERP components, and the time course of these effects with variation in cue-target stimulus onset asynchrony (SOA), were examined. Reaction time (RT) to discriminate a target was prolonged as cue size increased. The amplitudes of the posterior P1 and N1 components of the ERP evoked by the search array were affected in opposite ways by the size of the precue: P1 amplitude increased whereas N1 amplitude decreased as cue size increased, particularly following the shortest SOA. The results show that when top-down information about the region to be searched is less precise (larger cues), RT is slowed and the neural generators of P1 become more active, reflecting the additional computations required in changing the spatial scale of attention to the appropriate element size to facilitate target discrimination. In contrast, the decrease in N1 amplitude with cue size may reflect a broadening of the spatial gradient of attention. The results provide electrophysiological evidence that changes in the spatial scale of attention modulate neural activity in early visual cortical areas and activate at least two temporally overlapping component processes during visual search.

Non-NASA Center↗

NASA NTRS1991

Optical correlators for automated rendezvous and capture

Two dimensional image correlation is a robust technique for recognizing known objects and determining their position with respect to the sensing platform. This capability is of paramount importance to vehicles which must rendezvous and capture using only on-board sensors and processors. Standard digital processors can provide the necessary correlations, but their speed, weight, size and power consumption make them undesirable components of an on-board tracking system. Optical correlators provide correlation results comparable to digital systems, but with a fraction of the size, weight and power and often many times faster. This presentation discusses the application of optical correlators to Automated Rendezvous & Capture (AR&C), and the specific work being done at the Johnson Space Center and DARPA in developing optical correlator technology.

Juday, Richard↗

NASA NTRS1986

Determination of grain size distribution function using two-dimensional Fourier transforms of tone pulse encoded images

Microstructural images may be tone pulse encoded and subsequently Fourier transformed to determine the two-dimensional density of frequency components. A theory is developed relating the density of frequency components to the density of length components. The density of length components corresponds directly to the actual grain size distribution function from which the mean grain shape, size, and orientation can be obtained.

Generazio, E. R.↗

NASA NTRS1997

Using Superconducting Thin Films in Microwave Lines

High temperature superconductors(HTS) and microwaves devices form the ideal partnership. The application of superconductors in microwave devices, components and systems allows the reduction in size, power consumption and insertion loss. The surface resistance of high-Tc superconductors has been found to be two orders of magnitude lower than normal conducting copper materials. The reduction in size and power requirements, which together both lead to a reduction in system mass, coupled with reasonably accessible operating temperatures, suggest that HTS microwave components should find ready application in satellite communications systems. At present, multi- channeling communication networks demand filters with narrow bandwidth in order to allow the available RF frequency spectrum to be partitioned into small frequency bands, -and possible variation of dielectric constant from substrate to substrate is undesirable. Microwave multiplexers demand the fabrication of two identical filters in each channel. Thus, the filter with tuning function is preferable. Tunable filters are the critical component for phased array antennas in order to electronically steer the radiated beam. To fabricate a tunable filter that uses an electric field for operation, one would like a material that provides a large change on dielectric constant for a given electric field, yet has a relatively low tangent in order to minimize the insertion loss of the device. Ferroelectrics have been the materials of choice. Their large dielectric constant sufficiently increases the coupling between microwave resonators and its dependence on electric field provides timability. Development of technology promises to diminish tangent loss. The use of thin ferroelectric films sufficiently decreases insertion losses keeping considerable potential for applications. NASA Lewis Research Center is the one of the leading centers in investigation of superconductors/ferroelectric tunable components for microwave devices. A large number of possible microwave devices were fabricated and tested on the basis of thin film multilayer superconductor-ferroelectric structures. In major cases the systems with edge-coupling scheme were investigated. Dr. Genkin has recently focused on the new potentialities which implements the using of thin ferroelectric films in filters fabricated with end-coupled microstrip lines. Numerical modeling shows that these systems have large potential for application in tunable narrow- and wide-bandpass filters in the frequency range 10-20 GHz. The phase shifter with end-coupled resonant sections was fabricated and tested. Experimental results show large tunability, particular in low voltages. The possible optimization of this structure promises to improve the obtained result and to reach the low level of insertion losses.

Genkin, Varery↗

DOE OSTI2023

Efficient structure-factor modeling for crystals with multiple components

Diffraction intensities from a crystallographic experiment include contributions from the entire unit cell of the crystal: the macromolecule, the solvent around it and eventually other compounds. These contributions cannot typically be well described by an atomic model alone, i.e . using point scatterers. Indeed, entities such as disordered (bulk) solvent, semi-ordered solvent ( e.g. lipid belts in membrane proteins, ligands, ion channels) and disordered polymer loops require other types of modeling than a collection of individual atoms. This results in the model structure factors containing multiple contributions. Most macromolecular applications assume two-component structure factors: one component arising from the atomic model and the second one describing the bulk solvent. A more accurate and detailed modeling of the disordered regions of the crystal will naturally require more than two components in the structure factors, which presents algorithmic and computational challenges. Here an efficient solution of this problem is proposed. All algorithms described in this work have been implemented in the computational crystallography toolbox ( CCTBX ) and are also available within Phenix software. These algorithms are rather general and do not use any assumptions about molecule type or size nor about those of its components.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2000

The Design of a Templated C++ Small Vector Class for Numerical Computing

We describe the design and implementation of a templated C++ class for vectors. The vector class is templated both for vector length and vector component type; the vector length is fixed at template instantiation time. The vector implementation is such that for a vector of N components of type T, the total number of bytes required by the vector is equal to N * size of (T), where size of is the built-in C operator. The property of having a size no bigger than that required by the components themselves is key in many numerical computing applications, where one may allocate very large arrays of small, fixed-length vectors. In addition to the design trade-offs motivating our fixed-length vector design choice, we review some of the C++ template features essential to an efficient, succinct implementation. In particular, we highlight some of the standard C++ features, such as partial template specialization, that are not supported by all compilers currently. This report provides an inventory listing the relevant support currently provided by some key compilers, as well as test code one can use to verify compiler capabilities.

Moran, Patrick J.↗

NASA NTRS2006

Geomagnetic Activity Indicates Large Amplitude for Sunspot Cycle 24

The level of geomagnetic activity near the time of solar activity minimum has been shown to be a reliable indicator for the amplitude of the following solar activity maximum. The geomagnetic activity index aa can be split into two components: one associated with solar flares, prominence eruptions, and coronal mass ejections which follows the solar activity cycle and a second component associated with recurrent high speed solar wind streams which is out of phase with the solar activity cycle. This second component often peaks before solar activity minimum and has been one of the most reliable indicators for the amplitude of the following maximum. The size of the recent maximum in this second component indicates that solar activity cycle 24 will be much higher than average - similar in size to cycles 21 and 22.

Hathaway, D. H.↗

NASA NTRS2006

Geomagnetic Activity Indicates Large Amplitude for Sunspot Cycle 24

Hathaway, David H.↗

NASA NTRS2015

Ice Particle Analysis of the Honeywell AL502 Engine Booster

A flow and ice particle trajectory analysis was performed for the booster of the Honeywell ALF502 engine. The analysis focused on two closely related conditions one of which produced an icing event and another which did not during testing of the ALF502 engine in the Propulsion Systems Lab (PSL) at NASA Glenn Research Center. The flow analysis was generated using the NASA Glenn GlennHT flow solver and the particle analysis was generated using the NASA Glenn LEWICE3D v3.63 ice accretion software. The inflow conditions for the two conditions were similar with the main differences being that the condition that produced the icing event was 6.8 K colder than the non-icing event case and the inflow ice water content (IWC) for the non-icing event case was 50% less than for the icing event case. The particle analysis, which considered sublimation, evaporation and phase change, was generated for a 5 micron ice particle with a sticky impact model and for a 24 micron median volume diameter (MVD), 7 bin ice particle distribution with a supercooled large droplet (SLD) splash model used to simulate ice particle breakup. The particle analysis did not consider the effect of the runback and re-impingement of water resulting from the heated spinner and anti-icing system. The results from the analysis showed that the amount of impingement for the components were similar for the same particle size and impact model for the icing and non-icing event conditions. This was attributed to the similar aerodynamic conditions in the booster for the two cases. The particle temperature and melt fraction were higher at the same location and particle size for the non-icing event than for the icing event case due to the higher incoming inflow temperature for the non-event case. The 5 micron ice particle case produced higher impact temperatures and higher melt fractions on the components downstream of the fan than the 24 micron MVD case because the average particle size generated by the particle breakup was larger than 5 microns which yielded less warming and melting. The analysis also showed that the melt fraction and wet bulb temperature icing criterion developed during tests in the Research Altitude Test Facility (RATFac) at the National Research Council (NRC) of Canada were useful in predicting icing events in the ALF502 engine. The development of an ice particle impact model which includes the effects of particle breakup, phase change, and surface state is necessary to further improve the prediction of ice particle transport with phase change through turbomachinery.

Ice Accretion Codes↗

NASA NTRS2012

Ultra-Compact Motor Controller

This invention is an electronically commutated brushless motor controller that incorporates Hall-array sensing in a small, 42-gram package that provides 4096 absolute counts per motor revolution position sensing. The unit is the size of a miniature hockey puck, and is a 44-pin male connector that provides many I/O channels, including CANbus, RS-232 communications, general-purpose analog and digital I/O (GPIO), analog and digital Hall inputs, DC power input (18-90 VDC, 0-l0 A), three-phase motor outputs, and a strain gauge amplifier. This controller replaces air cooling with conduction cooling via a high-thermal-conductivity epoxy casting. A secondary advantage of the relatively good heat conductivity that comes with ultra-small size is that temperature differences within the controller become smaller, so that it is easier to measure the hottest temperature in the controller with fewer temperature sensors, or even one temperature sensor. Another size-sensitive design feature is in the approach to electrical noise immunity. At a very small size, where conduction paths are much shorter than in conventional designs, the ground becomes essentially isopotential, and so certain (space-consuming) electrical noise control components become unnecessary, which helps make small size possible. One winding-current sensor, applied to all of the windings in fast sequence, is smaller and wastes less power than the two or more sensors conventionally used to sense and control winding currents. An unexpected benefit of using only one current sensor is that it actually improves the precision of current control by using the "same" sensors to read each of the three phases. Folding the encoder directly into the controller electronics eliminates a great deal of redundant electronics, packaging, connectors, and hook-up wiring. The reduction of wires and connectors subtracts substantial bulk and eliminates their role in behaving as EMI (electro-magnetic interference) antennas. A shared knowledge by each motor controller of the state of all the motors in the system at 500 Hz also allows parallel processing of higher-level kinematic matrix calculations.

Townsend, William T.↗

DOE OSTI2022

Ultra-high temperature carbide foams and methods of fabricating the same

Ultra-high temperature carbide (UHTC) foams and methods of fabricating and using the same are provided. The UHTC foams are produced in a three-step process, including UHTC slurry preparation, freeze-drying, and spark plasma sintering (SPS). The fabrication methods allow for the production of any kind of single- or multi-component UHTC foam, while also providing flexibility in the shape and size of the UHTC foams to produce near-net-shape components.

Agarwal, Arvind↗