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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 73 records · Page 4

Condition monitoring and anomaly detection in cyber-physical systems

The modern industrial environment is equipping myriads of smart manufacturing machines where the state of each device can be monitored continuously. Such monitoring can help identify possible future failures and develop a cost-effective maintenance plan. However, it is a daunting task to perform early detection with low false positives and negatives from the huge volume of collected data. This requires developing a holistic machine learning framework to address the issues in condition monitoring of high priority components and develop efficient techniques to detect anomalies that can detect and possibly localize the faulty components. This paper presents a comparative analysis of recent machine learning approaches for robust, cost-effective anomaly detection in cyber-physical systems. While detection has been extensively studied, very few researchers have analyzed the localization of the anomalies. We show that supervised learning outperforms unsupervised algorithms. For supervised cases, we achieve near-perfect accuracy of 98% (specifically for tree-based algorithms). In contrast, the best-case accuracy in the unsupervised cases was 63%—the area under the receiver operating characteristic curve (AUC) exhibits similar outcomes as an additional metric.

Marfo, William↗

Plasma Facing Component Characterization and Correlation With Plasma Conditions in Lithium Tokamak Experiment-β

Lithium coatings in the Lithium Tokamak eXperiment (LTX) led to flat temperature profiles. The flat temperature profiles were observed along with a hot, low density edge, implying a broad, collisionless scrape-off layer (SOL). Additionally, in vacuo X-ray photoelectron spectroscopy (XPS) measurements established that lithium coatings evaporatively deposited onto high-Z plasma facing components (PFCs) became oxidized while retaining the ability to achieve good plasma performance long after lithium was applied to the PFCs. Longstanding theory predicted flat temperature profiles with low recycling walls, which was presumed to be due to hydrogen binding with elemental lithium to form lithium hydride. The presence of oxidized lithium, however, raised questions regarding the exact mechanism of hydrogen retention in LTX. To investigate these questions, the upgraded facility LTX- β includes a new sample exposure probe (SEP) for more detailed in vacuo analysis of PFC samples. The SEP is equipped with a vacuum suitcase capable of transporting samples representative of the LTX- β outer midplane PFCs to a stand-alone XPS system while maintaining pressures lower than the LTX- β base vacuum to limit the contamination between sample exposure and analysis. The low-energy resolution XPS system used in past experiments could only enable the determination of elemental percentages on the PFC sample surfaces. Because the new XPS system has higher energy resolution, it is more direct to assign chemical compounds to the measured binding energies. This capability has been confirmed by comparing XPS data from PFC test samples with measurements using a commercial high-resolution XPS system. Quartz crystal microbalances (QCMs) were used to quantify the thickness of the deposited lithium on the LTX- β PFCs. This article describes the application of the SEP to characterize the PFC surfaces using XPS and their relationship to plasma conditions.

Maan, Anurag↗

Melting rate correlation with batch properties and melter operating conditions during conversion of nuclear waste melter feeds to glasses

The rate of conversion of nuclear waste melter feed to glass is affected by the selection of melter feed materials and by melter design and operation. The melting rate correlation (MRC) is an equation that relates the glass production rate with two types of variables: (1) feed and melt properties: conversion heat, cold-cap bottom temperature, and glass melt viscosity; and (2) melter design and operation parameters: melter geometry, melter operating temperature, and gas bubbling rate. The MRC shows good agreement for an extended melting-rate data set of high-level waste (HLW) melter feeds and a data set generated for low-activity waste (LAW) melter feeds. Laboratory observation of heated melter feed samples is often used to assess the cold-cap bottom temperature of HLW melter feeds (moderately foaming feeds), but this technique appears inadequate for LAW melter feeds (vigorously foaming feeds). For LAW feeds, an adequate assessment of the cold-cap bottom temperature was achieved using evolved gas analysis, which allows identification of the collapse of primary foam for oxidized feeds. This assessment shows that the cold-cap bottom temperature for vigorously foaming LAW feeds is higher than that for moderately foaming HLW feeds. When the results of MRC are compared, LAW feeds are generally less sensitive to the bubbling rate and melt viscosity, and more sensitive to the cold-cap bottom temperature than HLW feeds. The MRC qualifies as a promising tool to support the selection of melter feed materials and melter operating conditions, which is determined from expensive independent scaled melter experiments, and sophisticated mathematical models.

Lee, Seung Min↗

Quantifying the Impacts of Land Surface Modeling on Hub-Height Wind Speed under Different Soil Conditions

We investigate the impact of three land surface models (LSMs) on hub-height wind speed under three different soil regimes (dry, wet, and frozen) to understand and improve the physics of wind energy forecasts using the Weather Research and Forecasting (WRF) model. A six-day representative period is selected for each soil condition. The simulated wind speed, surface energy budget and soil properties are compared with the observations collected from the second Wind Forecast Improvement Project (WFIP2). For the selected cases, our simulation results suggest that, the impact of LSMs on hub-height wind speed are sensitive to the soil states but not so much to the choice of LSM. The simulated hub-height wind speed is in much better agreement with the observations for the dry soil case than the wet and frozen soil cases. Over the dry soil, there is a strong physical connection between the land surface and hub-height wind speed through near-surface turbulent mixing. Over the wet soil, the simulated hub-height wind speed is less impacted by land surface due to weaker surface fluxes and more dominated by large-scale synoptic disturbances. Over the frozen soil, the land surface model seems to have limited impact on hub-height wind speed variability due to the decoupling of the land surface with the overlying atmosphere. Two main sources of modeling uncertainties are proposed. The first are the insufficient model physics representing the surface energy budget, especially the ground heat flux, and the second are the inaccurate initial soil states such as soil temperature and soil moisture.

Xia, Geng↗

Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions: Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions

A systematic investigation of uranyl borates under different synthetic conditions resulted in five new 2D compounds, namely, (H 3 O)[(UO 2 )(BO 3 )], Li[(UO 2 )(BO 3 )] · (H 2 O), α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ], β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] and K 2.5 [(UO 2 ) 5 (BO 3 ) 2 O 2.5 (OH) 1.5 ] · (H 2 O) 2.5 . (H 3 O)[(UO 2 )(BO 3 )] and Li[(UO 2 )(BO 3 )] · (H 2 O) were obtained from hydrothermal reactions at 220 °C using the same mineralizer. Both materials possess the uranophane sheet topology with different symmetry of the unit cells. In the structure of (H 3 O)[(UO 2 )(BO 3 )] and Li[(UO 2 )(BO 3 )] · (H 2 O), UO 7 pentagonal bipyramids share edges and vertexes with four BO 3 planar triangles. α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] and β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] are polytypes. α-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] was synthesized from a high-temperature solid-state reaction under ambient pressure; whereas β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] was obtained from a high-temperature/high-pressure (HT/HP) reaction. Both structures have an identical anion topology, but β-K 4 [(UO 2 ) 5 (BO 3 ) 2 O 4 ] crystallizes in space group with higher symmetry. In K 2.5 [(UO 2 ) 5 (BO 3 ) 2 O 2.5 (OH) 1.5 ] · (H 2 O) 2.5 , which was obtained from a hydrothermal reaction, UO 7 polyhedra share vertexes and edges with two independent BO 3 triangles, forming the most complex uranyl borate layers among all five compounds. The different synthetic routes, novel topologies, thermal behavior and Raman spectra are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interaction of Iron with Alumina Refractory Under Flash Ironmaking Conditions

A novel flash ironmaking technology (FIT) based on the direct reduction of iron ore concentrate by a reducing gas such as hydrogen, natural gas, or coal gas has been developed at the University of Utah. A proper choice of refractories is expected to play an important role in the development of FIT and its scale-up. In this work, the interaction of iron with alumina refractory under flash ironmaking conditions has been investigated. A thermodynamic basis for the interaction phenomena has been developed by considering the Fe-Al-O system, and a kinetic model based on solid-state diffusion is proposed to describe the growth of the hercynite (FeAl{sub 2}O{sub 4}) spinel formed as a result of the interaction between Fe, O (from H{sub 2}O and CO{sub 2}), and Al{sub 2}O{sub 3}. Experiments were conducted with Fe powders and pure Al{sub 2}O{sub 3} in the temperature range 1200 to 1500 °C under gas atmospheres relevant to flash ironmaking, and the reacted samples were analyzed using XRD, SEM-EDX, and EPMA techniques. The analyses of reacted samples confirmed the formation of the hercynite (FeAl{sub 2}O{sub 4}) spinel phase and the thickness of the FeAl{sub 2}O{sub 4} spinel as measured using elemental line scans in SEM-EDX and EPMA varied in the range of 0.5 to 1.3 mm. Results showed that the proposed model suitably describes the growth of the hercynite spinel layer, which obeyed the parabolic rate law at all temperatures. The parabolic rate constants were obtained and the diffusion-controlled growth of the FeAl{sub 2}O{sub 4} layer strongly depended on temperature. Furthermore, using the kinetic model, an expression for the effective diffusivity ( (D{sub eff})-bar ) was obtained and its values at the experimental temperatures were determined. The solid-state diffusion was an activated process, as expected, with an activation energy value of 231 kJ/mol.

36 MATERIALS SCIENCE↗

Timing is everything: diel metabolic and physiological changes in the diatom Cyclotella cryptica grown in simulated outdoor conditions

Microalgal cultures grown on a light-dark cycle experience diel patterns in metabolic and physiological processes, including cell cycle synchronization, but the implications for productivity in terms of biomass and commerciallyappealing molecules are not commonly appreciated. Despite a long history of diel response studies, only recently have photobioreactor technology advances enabled the use of sinusoidal light and temperature to more accurately mimic outdoor conditions. The present study investigates cell cycle progression and dynamic changes in biomass, triacylglycerol (TAG), and photosynthetic pigments on a 24-hour scale in the diatom Cyclotella cryptica grown using a sinusoidal light and temperature regime. Cell division synchronized to occur predominantly in the middle of the light period and biomass started to increase several hours earlier, as the cells prepared to divide. TAG levels increased during the day and decreased at night, with a mid-day dip corresponding to the time when lipid needs for cell divisionassociated membrane biosynthesis would be high. For the first time, photosynthetic pigment dynamics data, obtained with higher temporal resolution than previously reported for microalgae, was overlaid with cell cycle progression, indicating that while some photosynthetic pigments respond primarily to light, others are influenced by the cell cycle. Another novel observation was that the abundance of most photosynthetic pigments also fluctuated substantially on a rapid time scale during dawn, dusk, and the beginning of the dark period. Additionally, the results indicate that in a synchronized culture, potential product yields change substantially throughout the day. This may inform harvest timing to significantly increase yield.

microalgae, biofuels, Cell Lipids↗

Validation on Aggregate Flexibility from Residential Air Conditioning Systems for Building-to-Grid Integration

To facilitate the integration of buildings to the power grid, battery-equivalent models have been proposed to characterize and quantify aggregate flexibility from building loads. An analytical method has been proposed to construct such a flexibility model for thermostatically controlled loads. Since this analytical method is derived from a simplified representation of building thermal dynamics, it is necessary to evaluate the resulting flexibility model in a more realistic context. This paper focuses on the validation of this analytical method for estimating aggregate flexibility from residential air conditioning (ACs) systems. A high-fidelity model is first developed to mimic thermal behaviors of a residential AC system through a co-simulation between Modelica and EnergyPlus. A population of virtual residential AC systems is then generated by randomizing parameters of the high-fidelity model. Finally, an aggregate flexibility model is constructed for the residential AC population using the analytical method and validated using results from simulation of the high-fidelity model. It is found that the flexibility estimated using the analytical method is with reasonable accuracy, but can be improved by explicitly incorporating heat gains into the method.

Huang, Sen↗

Hydrogen isotope fractionation in the system brucite-water ± NaCl to elevated temperatures and pressures: Implications for the isotopic property of NaCl fluids under geologic conditions

According to the article, a series of hydrothermal experiments have been conducted to determine equilibrium D/H fractionations between brucite and water as a function of temperature (200-600 °C), pressure (2.1-800 MPa), and dissolved NaCl (0-5 molal or 0-22.6 wt%). Along with our previous study, a total of 39 data points show that pressure and dissolved NaCl both increase the D/H fractionation factor at a given temperature. Theoretical treatment allowed a first direct comparison of experimental and theoretical results of brucite-water D/H fractionation at a zero pressure limit. After correcting the pressure effects on brucite D/H partition function ratios (β-factor), the isotope effects of pressure and dissolved NaCl on the D/H β-factor of water were for the first time rigorously evaluated. There is a good linear relationship between the D/H β-factor of the aqueous NaCl solutions and their densities of at a given temperature. A good, pseudo-linear relationship observed between the density of aqueous NaCl solutions and the maximum intensity of the asymmetric OH vibrational frequency of water in turn suggests that this frequency is a fundamental property that determines the β-factor of water at elevated temperatures and pressures. Our study suggests that the density of aqueous solutions (ρ aq-soln ) could be used as a primary parameter to predict the effects of pressure and NaCl compositions on the β-factor of water under geologic conditions encountered in the crust and upper mantle:Δ10 3 1n β wat /Δρ aq-soln = -0.0111 (±0.0012), where Δ is a difference in the value of 10 3 In β wat or ρ aq-soln , and ρ aq-soln in kg m -3 .

bio-inspired, mechanical behavior, carbon sequestr↗

Styrene Thermal Decomposition and Its Reaction with Acetylene under Shock Tube Pyrolysis Conditions: an Experimental and Kinetic Modeling Study

Styrene is an important compound for polymer production and a key intermediate in gas-phase kinetics of polycyclic aromatic hydrocarbons (PAHs). For the first time, the pyrolysis of styrene with and without the presence of acetylene is investigated in a single-pulse shock tube coupled to gas chromatography and mass spectrometry. For each reaction system, quantitative speciation profiles are probed within the temperature range of 1100-1730 K, nominal pressure of 20 bar, and reaction duration of similar to 4 ms. A kinetic model is built to simulate the results. The model explains how styrene is consumed under high-pressure pyrolytic conditions, how the secondary chemistry of intermediate products affect subsequent PAH formation, and how acetylene addition alters the reaction pathways. Throughout the temperature range, styrene breakdown is dominated by the bimolecular interaction between styrene and hydrogen atom, which produces benzene+vinyl or phenyl and ethylene through the stabilization of 2-phenylethyl and its subsequent dissociation. As a result, large amounts of phenyl accumulate, which react with styrene to form C14H12 species while simultaneously releasing H atoms through addition/elimination reactions. The reactivity of fuel consumption is preserved by the regeneration of H atoms as chain carriers. Several C14H10 compounds are formed as a result of the following breakdown of the C14H12 isomers, particularly stilbene, 1,1-diphenyl ethylene, and 9-methyl-9H-fluorene. The presence of acetylene as a co-reactant with styrene allows the Hydrogen-Abstraction-Acetylene-Addition (HACA) pathway to proceed from phenyl radical to enhance the production of phenylacetylene at very low temperatures and acenaphthylene. This hinders the formation of C14H12 isomers, exclusive products from pure styrene dissociation by competing with the styrene+phenyl routes.

Kinetic Modeling↗

Recovery of MOF-5 from Extreme High-Pressure Conditions Facilitated by a Modern Pressure Transmitting Medium

Here mechanisms underlying the mechanically induced amorphization of metal-organic frameworks (MOFs) are of current interest, and both high-pressure experimentation and molecular dynamics simulations have been used to reveal the fundamentals of load bearing, deformation, and pressure-induced amorphization (PIA) in these highly porous materials. Unfortunately, MOFs are typically highly susceptibility to amorphization, which limits the conditions under which they can be processed and used. However, their flexible structures can be stabilized to high pressures by incorporating guest species into the framework matrix. In this study, a large molecule pressure transmitting medium (DAPHNE 7575 ) is used as a structure-fortifying guest species to stabilize the prototypical MOF -5 to ultra-high pressures ( >9 GPa) and enable the recovery of crystalline material upon decompression. Structural changes associated with the penetration of the pressure transmitting medium on compression are examined using a combination of high pressure synchrotron powder diffraction and molecular dynamics simulations. This work enhances the understanding of PIA in MOFs while showcasing a potential route for the stabilization of MOFs to surprisingly high-pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stability of Ferrihydrite–Humic Acid Coprecipitates under Iron-Reducing Conditions

Recent studies have suggested the potential for release of iron (hydr)oxide-bound organic carbon (OC) during dissimilatory iron oxide reduction (DIR). However, the stability of iron (hydr)oxide-bound OC in the presence of a natural microbial consortium capable of driving both OC metabolism and DIR has not been resolved. Pure ferrihydrite (Fhy) and Fhy-humic acid coprecipitates (Fhy-HA) were inoculated with a small quantity of freshwater sediment and incubated under anoxic conditions in the presence and absence of H 2 or glucose as electron donors for DIR. H 2 promoted DIR led to release of ca. 1 mM dissolved organic carbon (DOC). However, comparable amounts of DOC were released from both pure Fhy and Fhy-HA, similar to DOC levels in mineral-free, inoculum-only controls. These results suggest that the observed DOC release during H 2 -promoted DIR originated from OC contained in the inoculum as opposed to the much larger pool (ca. 38 mM) of OC in the Fhy-HA. Thus, DIR preferentially released sorbed OC with low aromaticity (inoculum OC) versus highly aromatic OC (HA) coprecipitated with iron oxide. Furthermore, our findings provide new insight into the extent and mechanisms by which DIR is likely to influence aqueous/solid-phase OC partitioning in anoxic soils and sediments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗