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At least 1,153 records · Page 64

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DOE OSTI2019

Predicting octane number from microscale flame dynamics

The standard method for measuring the octane number of fuels requires large sample volumes (~1L) and access to a Cooperative Fuel Research (CFR) engine. This method reliably quantifies the knock resistance of fuels in spark ignition engines, however the large sample volume requirement prevents testing of new experimental fuels (often produced in quantities of just ~1 mL), and the large equipment size impedes mobile, decentralized testing of remote fuel supplies. When direct measurements of octane number are impractical, other methods are needed. Micro flow reactors have shown promise in measuring ignition characteristics that are sensitive to octane number, and they are compact and operate on small volumes (~1 mL). This study uses simulations to demonstrate that measurements of the unsteady flame dynamics in a micro flow reactor can provide valuable data for accurate octane number predictions. Simulations of the flow reactor are used to obtain ignition characteristics for over 200 ethanol-toluene primary reference fuels (ETPRF) and 21 biofuel blends. A feed forward neural network is trained using the micro flow reactor ignition characteristics, fuel properties, and known research octane number (RON) and motor octane number (MON) for the ETPRF fuels. Here, the neural network is able to predict the RON and MON of the biofuel blends to within 2 octane number on average. Prediction results are compared to other methods available in the literature. Additional neural network models are trained that show improved prediction accuracy as additional fuel training data becomes available.

02 PETROLEUM↗

DOE OSTI2011

Effect of KCl, NaCl and CaCl{sub 2} mixture on volume combustion synthesis of TiB{sub 2} nanoparticles

Highlights: {yields} A low melting diluent lowers the ignition temperature in combustion synthesis. {yields} Deagglomerated synthesized products are formed as the result of diluent addition. {yields} Addition of 45% salt mixture resulted in formation of 70 nm TiB{sub 2} nanoparticles. {yields} Thermodynamically unstable Mg{sub 2}TiO{sub 4} and Mg{sub 3}B{sub 2}O{sub 6} by-products were formed. {yields} Small change in particle size was observed with addition of salt mixture. -- Abstract: Preparation of titanium diboride (TiB{sub 2}) nanoparticles was carried out by volume combustion synthesis. TiO{sub 2}, B{sub 2}O{sub 3} and elemental Mg were mixed with 0-60% salt mixture of KCl, NaCl and CaCl{sub 2} with increment of 15% as a low melting temperature diluent. Compressed samples were synthesized in a tubular furnace at a constant heating rate under argon atmosphere. Thermal analysis of the process showed that the addition of the low melting temperature salts mixture led to a significant decrease in ignition and combustion temperatures. Synthesized samples were then leached by nitric and hydrochloric acids to remove impurities. The samples were examined by XRD, SEM and DLS analysis. The results showed the formation of fine deagglomerated particles with the addition of the salts mixture. The results revealed that 45% salts mixture had the smallest average particle size of about 90 nm.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Effect of heat treatments on superconducting properties and connectivity in K-doped BaFe2As2

Abstract Fe-based superconductors and in particular K-doped BaFe 2 As 2 (K-Ba122) are materials of interest for possible future high-field applications. However the critical current density ( J c ) in polycrystalline Ba122 is still quite low and connectivity issues are suspected to be responsible. In this work we investigated the properties of high-purity, carefully processed, K-Ba122 samples synthesized with two separate heat treatments at various temperatures between 600 and 825 °C. We performed specific heat characterization and T c -distribution analysis up to 16 T and we compared them with magnetic T c and J c characterizations, and transmission-electron-microscopy (TEM) microstructures. We found no direct correlation between the magnetic T c and J c , whereas the specific heat T c -distributions did provide valuable insights. In fact the best J c -performing sample, heat treated first at 750 °C and then at 600 °C, has the peak of the T c -distributions at the highest temperatures and the least field sensitivity, thus maximizing H c2 . We also observed that the magnetic T c onset was always significantly lower than the specific heat T c : although we partially ascribe the lower magnetization T c to the small grain size (< λ , the penetration depth) of the K-Ba122 phase, this behaviour also implies the presence of some grain-boundary barriers to current flow. Comparing the T c -distribution with J c , our systematic synthesis study reveals that increasing the first heat treatment above 750 °C or the second one above 600 °C significantly compromises the connectivity and suppresses the vortex pinning properties. We conclude that high-purity precursors and clean processing are not yet enough to overcome all J c limitations. However, our study suggests that a higher temperature T c -distribution, a larger H c2 and a better connectivity could be achieved by lowering the second heat treatment temperature below 600 °C thus enhancing, as a consequence, J c .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

The extended Baryon Oscillation Spectroscopic Survey: testing a new approach to measure the evolution of the structure growth

We report that the extended Baryon Oscillation Spectroscopic Survey (eBOSS) is one of the first of a new generation of galaxy redshift surveys that will cover a large range in redshift with sufficient resolution to measure the baryon acoustic oscillations signal. For surveys covering a large redshift range we can no longer ignore cosmological evolution, meaning that either the redshift shells analysed have to be significantly narrower than the survey, or we have to allow for the averaging over evolving quantities. Both of these have the potential to remove signal: analysing small volumes increases the size of the Fourier window function, reducing the large-scale information, while averaging over evolving quantities can, if not performed carefully, remove differential information. It will be important to measure cosmological evolution from these surveys to explore and discriminate between models. We apply a method to optimally extract this differential information to mock catalogues designed to mimic the eBOSS quasar sample. By applying a set of weights to extract redshift-space distortion measurements as a function of redshift, we demonstrate an analysis that does not invoke the problems discussed above. Finally, we show that our estimator gives unbiased constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Flow-based likelihoods for non-Gaussian inference

We investigate the use of data-driven likelihoods to bypass a key assumption made in many scientific analyses, which is that the true likelihood of the data is Gaussian. In particular, we suggest using the optimization targets of flow-based generative models, a class of models that can capture complex distributions by transforming a simple base distribution through layers of nonlinearities. We call these flow-based likelihoods (FBL). We analyze the accuracy and precision of the reconstructed likelihoods on mock Gaussian data, and show that simply gauging the quality of samples drawn from the trained model is not a sufficient indicator that the true likelihood has been learned. We nevertheless demonstrate that the likelihood can be reconstructed to a precision equal to that of sampling error due to a finite sample size. We then apply FBLs to mock weak lensing convergence power spectra, a cosmological observable that is significantly non-Gaussian (NG). We find that the FBL captures the NG signatures in the data extremely well, while other commonly used data-driven likelihoods, such as Gaussian mixture models and independent component analysis, fail to do so. This suggests that works that have found small posterior shifts in NG data with data-driven likelihoods such as these could be underestimating the impact of non-Gaussianity in parameter constraints. By introducing a suite of tests that can capture different levels of NG in the data, we show that the success or failure of traditional data-driven likelihoods can be tied back to the structure of the NG in the data. Here, unlike other methods, the flexibility of the FBL makes it successful at tackling different types of NG simultaneously. Because of this, and consequently their likely applicability across datasets and domains, we encourage their use for inference when sufficient mock data are available for training.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1977

A miniature 48-channel pressure sensor module capable of in situ calibration

A new high data rate pressure sensor module with in situ calibration capability has been developed by the Langley Research Center to help reduce energy consumption in wind-tunnel facilities without loss of measurement accuracy. The sensor module allows for nearly a two order of magnitude increase in data rates over conventional electromechanically scanned pressure sampling techniques. This module consists of 16 solid state pressure sensor chips and signal multiplexing electronics integrally mounted to a four position pressure selector switch. One of the four positions of the pressure selector switch allows the in situ calibration of the 16 pressure sensors; the three other positions allow 48 channels (three sets of 16) pressure inputs to be measured by sensors. The small size of the sensor module will allow mounting within many wind-tunnel models, thus eliminating long tube lengths and their corresponding slow pressure response.

Gross, C.↗

NASA NTRS1993

Optical effects of space weathering on lunar soils and the role of the finest fraction

Lunar soils represent a cumulative product of space weathering and as such they exhibit distinct optical alteration. In comparison to the optical properties of similar rock powders, lunar soils are darker, have weaker diagnostic absorption bands, and exhibit a characteristic red continuum slope between 0.3 and 4.5 microns. Well-developed (mature) lunar soils have a mean grain size of about 60 microns and may contain more than 50 percent agglutinates (complex, glass-welded aggregates) which were previously believed to be the principal carriers of optical alteration resulting from space weathering. A detailed analysis of the spectral reflectance properties of the bulk soil, size separates, and agglutinate separates of several Apollo and Luna soils has been undertaken to evaluate the validity of the agglutinate paradigm for optical effects of space weathering. The data and results are summarized here which indicate that the finest fraction of natural lunar soils, rather than larger complex agglutinates, carries the principal effects of optical alteration. Bidirectional reflectance spectra were obtained using the small sample configuration of the RELAB facility, which accommodates 5-30 mg of material. Spectra are displayed with the labels for individual samples listed in order of brightness.

Pieters, C. M.↗

NASA NTRS2004

Microfluidic Biochip Design

Panzarella, Charles↗

NASA NTRS2004

Microfluidic Biochip Design

As humans prepare for the exploration of our solar system, there is a growing need for miniaturized medical and environmental diagnostic devices for use on spacecrafts, especially during long-duration space missions where size and power requirements are critical. In recent years, the biochip (or Lab-on-a- Chip) has emerged as a technology that might be able to satisfy this need. In generic terms, a biochip is a miniaturized microfluidic device analogous to the electronic microchip that ushered in the digital age. It consists of tiny microfluidic channels, pumps and valves that transport small amounts of sample fluids to biosensors that can perform a variety of tests on those fluids in near real time. It has the obvious advantages of being small, lightweight, requiring less sample fluids and reagents and being more sensitive and efficient than larger devices currently in use. Some of the desired space-based applications would be to provide smaller, more robust devices for analyzing blood, saliva and urine and for testing water and food supplies for the presence of harmful contaminants and microorganisms. Our group has undertaken the goal of adapting as well as improving upon current biochip technology for use in long-duration microgravity environments. In addition to developing computational models of the microfluidic channels, valves and pumps that form the basis of every biochip, we are also trying to identify potential problems that could arise in reduced gravity and develop solutions to these problems. One such problem is due to the prevalence of bubbly sample fluids in microgravity. A bubble trapped in a microfluidic channel could be detrimental to the operation of a biochip. Therefore, the process of bubble formation in microgravity needs to be studied, and a model of this process has been developed and used to understand how bubbles develop and move through biochip components. It is clear that some type of bubble filter would be necessary in Space, and several bubble filter designs are being evaluated.

Panzarella, Charles↗

NASA NTRS2007

Bulk Crystal Growth of Piezoelectric PMN-PT Crystals Using Gradient Freeze Technique for Improved SHM Sensors

There has been a growing interest in recent years in lead based perovskite ferroelectric and relaxor ferroelectric solid solutions because of their excellent dielectric, piezoelectric and electrostrictive properties that make them very attractive for various sensing, actuating and structural health monitoring (SHM) applications. We are interested in the development of highly sensitive and efficient PMN-PT sensors based on large single crystals for the structural health monitoring of composite materials that may be used in future spacecrafts. Highly sensitive sensors are needed for detection of defects in these materials because they often tend to fail by distributed and interacting damage modes and much of the damage occurs beneath the top surface of the laminate and not detectable by visual inspection. Research is being carried out for various combinations of solid solutions for PMN-PT piezoelectric materials and bigger size crystals are being sought for improved sensor applications. Single crystals of this material are of interest for sensor applications because of their high piezoelectric coefficient (d33 greater than 1700 pC/N) and electromechanical coefficients (k33 greater than 0.90). For comparison, the commonly used piezoelectric ceramic lead zirconate titanate (PZT) has a d33 of about 600 pC/N and electromechanical coefficients k33 of about 0.75. At the present time, these piezoelectric relaxor crystals are grown by high temperature flux growth method and the size of these crystals are rather small (~3x4x5 mm(exp 3). In the present paper, we have attempted to grow bulk single crystals of PMN-PT in a 2 inch diameter platinum crucible and successfully grown a large size crystal of 67%PMN-33%PT using the vertical gradient freeze technique with no flux. Piezoelectric properties of the grown crystals are investigated. PMN-PT plates show excellent piezoelectric properties. Samples were poled under an applied electric field of 5 kV/cm. Dielectric properties at a frequency of 1 kHz are examined. The grown PMN-PT crystals show typical relaxor dielectric properties. Additionally, the thermal properties of the sample are tested. The results are in good agreement with those found in the literature and some are reported for the first time.

Aggarwal, Mohan D.↗

NASA NTRS2020

Recent Radar Observations of the Sub-Centimeter Orbital Debris Environment

The NASA Orbital Debris Program Office (ODPO) has conducted radar observations of the orbital debris environment since the early 1990’s to provide measurement data that supports orbital debris models and risk mitigation activities in support of NASA mission objectives. Orbital debris radar observations are a unique mode for radar operation, employing a fixed beam configuration to statistically sample the environment. An advantage of conducting operations in this fashion is that it enables observations of smaller classes of orbital debris than would otherwise be available from the same sensor operating in a traditional tracking mode. Orbital debris-mode radar observations are used to fill in the gaps, which exist in the currently available data from the Space Surveillance Network (SSN), on small size orbital debris populations that represent significant risk to NASA programs. These gaps have typically covered orbital debris with characteristic sizes less than approximately 10 cm down to approximately 3 mm in low Earth orbit (LEO) – depending upon the altitude and sensor configuration. The value of orbital debris radar measurements lies in the ability to extract partial orbital element information about orbital debris in the centimeter to several millimeter size regimes in low Earth orbit – which are not available from other measurement sources. This paper will discuss observations of this smaller class of orbital debris observed in recent years from the radars at the MIT Haystack Observatory in Westford, Massachusetts, and the Goldstone Solar System Radar near Barstow, California. The former radar is able to observe orbital debris down to approximately 5 mm, and the latter, orbital debris with characteristic sizes near 3 mm – at altitudes less than 1000 km. The characteristics and inferences about the current LEO orbital debris environment, and the different subpopulations that are identifiable in the observations are highlighted.

Kennedy, Timothy↗

DOE OSTI2025

Shielded magnetic small-angle neutron scattering for characterization of radioactive samples

The development of a Pb-shielded fixture for the execution of a small-angle neutron scattering (SANS)-based workflow for interrogation of highly irradiated nuclear materials has been explored. The Pb shielding was specially designed to reduce the detected radioactivity from the specimen during SANS experiments, and the overall configuration is termed shielded magnetic SANS (SM-SANS). Two FeCrAl-based alloys, C35M and 125YF, were examined with the SM-SANS technique using a free-form size distribution locally monodisperse model in both the as-received and irradiated states. Quantitative values derived from the free-form size distribution were compared with atom probe tomography experiments. Microstructural and compositional parameters determined using the two characterization techniques were complements of each other. The results demonstrate that the SM-SANS technique is an effective means of characterizing nanoscale clustering in irradiated material systems and provides new avenues for investigating radioactive material microstructures.

FeCrAl↗

DOE OSTI2022

The effect of helium on cavity swelling in dual-ion irradiated Fe and Fe-10Cr ferritic alloys

We report Ferritic-martensitic (FM) steels for in-vessel components in proposed fusion reactors are expected to suffer from high levels of displacement damage and helium (He) generation by neutron transmutation. However, a thorough understanding of the He synergistic effects on the cavity swelling in FM steels is still not well established. To gain fundamental insights into the He effect on cavity swelling, high purity Fe and Fe-10 wt.% Cr ferritic model alloys were irradiated with 8 MeV Ni ions and co-implanted He ions at 400 to 550 °C up to 30 displacements per atom (dpa) with He implantation rates of 0.1, 10 and 50 appm He/dpa. The current study focuses on the 50 appm He/dpa, 500 °C behavior vs. 0.1 and 10 appm He/dpa. Irradiation-induced defects, including cavities, dislocation loops, and dislocation networks were characterized using transmission electron microscopy (TEM). In the grain interior, a bimodal cavity size distribution was observed in the 10 and 50 appm He/dpa samples, but not for 0.1 appm He/dpa. Cavity swelling was maximized at intermediate He implantation rates of ~10 appm He/dpa for both ion-irradiated Fe and Fe-10Cr alloys. The cavity swelling behavior as a function of He implantation rate appears to be controlled by the He/dpa-dependent variation of cavity sink strengths. Treating small bubbles as biased sinks for interstitial absorption can significantly increase the ratio of biased to unbiased sink strengths (Q) and results in maximized cavity swelling for a Q ratio close to one.

36 MATERIALS SCIENCE↗

DOE OSTI2020

A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states

We extend our hybrid linear-method/accelerated-descent variational Monte Carlo optimization approach to excited states and investigate its efficacy in double excitations. In addition to showing a superior statistical efficiency when compared to the linear method, our tests on small molecules show good energetic agreement with benchmark methods. We also demonstrate the ability to treat double excitations in systems that are too large for a full treatment by using selected configuration interaction methods via an application to 4-aminobenzonitrile. Finally, we investigate the stability of state-specific variance optimization against collapse to other states’ variance minima and find that symmetry, Ansatz quality, and sample size all have roles to play in achieving stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Reconstructing Ly$α$ Fields from Low-resolution Hydrodynamical Simulations with Deep Learning

Hydrodynamical cosmological simulations are a powerful tool for accurately predicting the properties of the intergalactic medium (IGM) and for producing mock skies that can be compared against observational data. However, the need to resolve density fluctuation in the IGM puts a stringent requirement on the resolution of such simulations, which in turn limits the volumes that can be modeled, even on the most powerful supercomputers. In this work, we present a novel modeling method that combines physics-driven simulations with data-driven generative neural networks to produce outputs that are qualitatively and statistically close to the outputs of hydrodynamical simulations employing eight times higher resolution. We show that the Ly$α$ flux field, as well as the underlying hydrodynamic fields, have greatly improved statistical fidelity over a low-resolution simulation. Importantly, the design of our neural network allows for sampling multiple realizations from a given input, enabling us to quantify the model uncertainty. Using test data, we demonstrate that this model uncertainty correlates well with the true error of the Ly$α$ flux prediction. Ultimately, our approach allows for training on small simulation volumes and applying it to much larger ones, opening the door to producing accurate Ly$α$ mock skies in volumes of Hubble size, as will be probed with DESI and future spectroscopic sky surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Electronically scanned pressure sensor module with in SITU calibration capability

This high data rate pressure sensor module helps reduce energy consumption in wind tunnel facilities without loss of measurement accuracy. The sensor module allows for nearly a two order of magnitude increase in data rates over conventional electromechanically scanned pressure sampling techniques. The module consists of 16 solid state pressure sensor chips and signal multiplexing electronics integrally mounted to a four position pressure selector switch. One of the four positions of the pressure selector switch allows the in situ calibration of the 16 pressure sensors; the three other positions allow 48 channels (three sets of 16) pressure inputs to be measured by the sensors. The small size of the sensor module will allow mounting within many wind tunnel models, thus eliminating long tube lengths and their corresponding slow pressure response.

Gross, C.↗

NASA NTRS1982

Sampling errors in the estimation of empirical orthogonal functions

Empirical Orthogonal Functions (EOF's), eigenvectors of the spatial cross-covariance matrix of a meteorological field, are reviewed with special attention given to the necessary weighting factors for gridded data and the sampling errors incurred when too small a sample is available. The geographical shape of an EOF shows large intersample variability when its associated eigenvalue is 'close' to a neighboring one. A rule of thumb indicating when an EOF is likely to be subject to large sampling fluctuations is presented. An explicit example, based on the statistics of the 500 mb geopotential height field, displays large intersample variability in the EOF's for sample sizes of a few hundred independent realizations, a size seldom exceeded by meteorological data sets.

North, G. R.↗

DOE OSTI2017

Release Fractions from Airborne Fluid and Slurry Spills

Release fractions are commonly used to make conservative estimates of emissions from processes and are applied to characterize industrial operations to safeguard workers and public. Release fractions cannot be derived theoretically; they must be measured. Appropriate measurements are limited. This paper describes tests that were conducted to provide large-scale release fraction data for estimating releases from three operations proposed for waste remediation at the Hanford Site in Richland, Washington. Experiments were conducted to measure release fractions of three processes: 1) pipe discharge of liquid and slurry in free fall into a liquid or slurry, 2) jet transfer of contents to the other side of the tank either impacting the tank wall or falling into the fluid pool, and 3) high pressure fan jet striking a steel plate or simulated waste from a small stand-off distance. The tests were conducted without forced ventilation in an enclosed prototypic ¼-scale model of a 3785 m^3 (1 million gallon) tank in use at the Hanford Site for storage of radioactive waste. Aerosol releases were characterized based on filter samples of aerosol collected near the process stream, tank wall, and tank top to determine release fraction at engineering scale. Particle size distribution measurements were analyzed to determine whether the particles were in the respirable range. The release fractions for the top of the unventilated tank ranged from 9x10-7 to 6x10-4 depending on the process simulated. The particle size distribution was determined to be log-normally distributed with geometric mean diameters ranging from 3 to 8 µm. Thus, all particles are conservatively considered to be “respirable.”

aerosol generation, release fraction, water spill,↗