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At least 1,207 records · Page 67

Streaming Data in HPC Workflows Using ADIOS

The “IO Wall” problem, in which the gap between computation rate and data access rate grows continuously, poses significant problems to scientific workflows which have traditionally relied upon using the filesystem for intermediate storage between workflow stages. One way to avoid this problem in scientific workflows is to stream data directly from producers to consumers and avoiding storage entirely. However, the manner in which this is accomplished is key to both performance and usability. This paper presents the Sustainable Staging Transport, an approach which allows direct streaming between traditional file writers and readers with few application changes. SST is an ADIOS “engine”, accessible via standard ADIOS APIs, and because ADIOS allows engines to be chosen at run-time, many existing file-oriented ADIOS workflows can utilize SST for direct application-to-application communication without any source code changes. This paper describes the design of SST and presents performance results from various applications that use SST, for feeding model training with simulation data with substantially higher bandwidth than the theoretical limits of Frontier’s file system, for strong coupling of separately developed applications for multiphysics multiscale simulation, or for in situ analysis and visualization of data to complete all data processing shortly after the simulation finishes.

Podhorszki, Norbert [ORNL] (ORCID:000000019647542X↗

Valorizing the carbon byproduct of methane pyrolysis in batteries

While low-cost natural gas remains abundant, the energy content of this fuel can be utilized without greenhouse gas emissions through the production of molecular hydrogen and solid carbon via methane pyrolysis. In the absence of a carbon tax, methane pyrolysis is not economically competitive with current hydrogen production methods unless the carbon byproducts can be valorized. In this work, we assess the viability of the carbon byproduct produced from methane pyrolysis in molten salts as high-value-added anode or conductive additive for secondary Li-ion and Na-ion batteries. Raman characterization and electrochemical differential capacity analysis demonstrate that the use of molten salt mixtures with catalytically-active FeCl 3 - or MnCl 2 result in more graphitic carbon co-products. These graphitic carbons exhibit the best electrochemical performance (up to 272 mAh/g of reversible capacity) when used as Li-ion anodes. For all carbon samples studied here, disordered carbon domains and retained salt species trapped and/or intercalated into the carbon structure were identified by X-ray photoelectron and multinuclear solid-state nuclear magnetic resonance spectroscopy. The latter lead to reduced electrochemical activity and reversibility, and poorer rate performance compared to commercial carbon anodes. The electronic conductivity of the pyrolyzed carbons is found to be highly dependent on their purity, with the purest carbon exhibiting an electronic conductivity nearly on par with that of commercial carbon additives. These findings suggest that more effective removal of the salt catalyst could enable applications of these carbons in secondary batteries, providing a financial incentive for the large-scale implementation of methane pyrolysis for “low-carbon” hydrogen production.

08 HYDROGEN↗

Progress and prospects of thermo-mechanical energy storage – A critical review

The share of electricity generated by intermittent renewable energy sources is increasing (now at 26% of global electricity generation) and the requirements of affordable, reliable and secure energy supply designate grid-scale storage as an imperative component of most energy transition pathways. The most widely deployed bulk energy storage solution is pumped-hydro energy storage (PHES), however, this technology is geographically constrained. Alternatively, flow batteries are location independent and have higher energy densities than PHES, but remain associated with high costs and low lifetimes, which highlights the importance of developing and utilizing additional larger-scale, longer-duration and long-lifetime energy storage alternatives. Here, we review a class of promising bulk energy storage technologies based on thermo-mechanical principles, which includes: compressed-air energy storage (CAES), liquid-air energy storage (LAES) and pumped-thermal electricity storage (PTES). The thermodynamic principles upon which these thermo-mechanical energy storage (TMES) technologies are based are discussed and a synopsis of recent progress in their development is presented, assessing their ability to provide reliable and cost-effective solutions. The current performance and future prospects of TMES systems are examined within a unified framework and a thermoeconomic analysis is conducted to explore their competitiveness relative to each other as well as when compared to PHES and flow battery systems. This includes carefully selected thermodynamic and economic methodologies for estimating the component costs of each configuration in order to provide a detailed and fair comparison at various system sizes. The analysis reveals that the technical and economic characteristics of TMES systems are such that, especially at higher discharge power ratings and longer discharge durations, they can offer promising performance (round-trip efficiencies higher than 60%) along with high lifetimes (> 30 years), low specific costs (often below 100 $/kWh), low ecological footprints and unique sector-coupling features compared to other storage options. TMES systems have significant potential for further progress and the thermoeconomic comparisons in this paper can be used as a benchmark for their future evolution.

25 ENERGY STORAGE↗

Evaluating the Durability of Balance of Systems Components Using Combined-Accelerated Stress Testing

The degradation of photovoltaic (PV) balance of systems (BoS) components is not well-studied, but the consequences include offline modules, strings, and inverters; system shutdown; arc faults; and fires. A utility provider experienced a ~30% failure rate in their power transfer chain, originally attributed to branch connectors. Field-failed specimen assemblies were therefore examined, consisting of cable connector, branch connector, and discrete fuse components. In this study, unused field-vintage specimens are examined using combined-accelerated stress testing (C-AST) to clarify the most influential environmental stressors as well as the effect of external mechanical perturbation. A benchtop prototype fixture was used to develop the perturbation capability for the C-AST chamber. The benchtop experiments were also used to develop the in-situ data acquisition of specimen current, voltage, and temperature. A significant increase in operating temperature (~100 degrees C from ~40 degrees C) and a different failure mode were observed promptly once periodic mechanical perturbation was applied. The current at failure was decreased from 35 A (with failure in the fuses) to 15 A (failure at the male/female metal pin connection). After initial examination using X-ray computed tomography, the external plastic was machined away from failed specimens to allow for failure analysis, including the extraction of the internal convolute springs for morphological examination (optical and electron microscopy).

balance of systems↗

Intelligent neuroprocessors for in-situ launch vehicle propulsion systems health management

Efficacy of existing on-board propulsion systems health management systems (HMS) are severely impacted by computational limitations (e.g., low sampling rates); paradigmatic limitations (e.g., low-fidelity logic/parameter redlining only, false alarms due to noisy/corrupted sensor signatures, preprogrammed diagnostics only); and telemetry bandwidth limitations on space/ground interactions. Ultra-compact/light, adaptive neural networks with massively parallel, asynchronous, fast reconfigurable and fault-tolerant information processing properties have already demonstrated significant potential for inflight diagnostic analyses and resource allocation with reduced ground dependence. In particular, they can automatically exploit correlation effects across multiple sensor streams (plume analyzer, flow meters, vibration detectors, etc.) so as to detect anomaly signatures that cannot be determined from the exploitation of single sensor. Furthermore, neural networks have already demonstrated the potential for impacting real-time fault recovery in vehicle subsystems by adaptively regulating combustion mixture/power subsystems and optimizing resource utilization under degraded conditions. A class of high-performance neuroprocessors, developed at JPL, that have demonstrated potential for next-generation HMS for a family of space transportation vehicles envisioned for the next few decades, including HLLV, NLS, and space shuttle is presented. Of fundamental interest are intelligent neuroprocessors for real-time plume analysis, optimizing combustion mixture-ratio, and feedback to hydraulic, pneumatic control systems. This class includes concurrently asynchronous reprogrammable, nonvolatile, analog neural processors with high speed, high bandwidth electronic/optical I/O interfaced, with special emphasis on NASA's unique requirements in terms of performance, reliability, ultra-high density ultra-compactness, ultra-light weight devices, radiation hardened devices, power stringency, and long life terms.

Gulati, S.↗

On-board closed-loop congestion control for satellite based packet switching networks

NASA LeRC is currently investigating a satellite architecture that incorporates on-board packet switching capability. Because of the statistical nature of packet switching, arrival traffic may fluctuate and thus it is necessary to integrate congestion control mechanism as part of the on-board processing unit. This study focuses on the closed-loop reactive control. We investigate the impact of the long propagation delay on the performance and propose a scheme to overcome the problem. The scheme uses a global feedback signal to regulate the packet arrival rate of ground stations. In this scheme, the satellite continuously broadcasts the status of its output buffer and the ground stations respond by selectively discarding packets or by tagging the excessive packets as low-priority. The two schemes are evaluated by theoretical queuing analysis and simulation. The former is used to analyze the simplified model and to determine the basic trends and bounds, and the later is used to assess the performance of a more realistic system and to evaluate the effectiveness of more sophisticated control schemes. The results show that the long propagation delay makes the closed-loop congestion control less responsive. The broadcasted information can only be used to extract statistical information. The discarding scheme needs carefully-chosen status information and reduction function, and normally requires a significant amount of ground discarding to reduce the on-board packet loss probability. The tagging scheme is more effective since it tolerates more uncertainties and allows a larger margin of error in status information. It can protect the high-priority packets from excessive loss and fully utilize the downlink bandwidth at the same time.

Chu, Pong P.↗

Assessment of Mechanical Draft Cooling Tower Thermal Emissions from Visual Images of Plumes

Using a one-dimensional code, we computed the power (enthalpy discharge rate) of a twelve-cell mechanical draft cooling tower (MDCT) using over two hundred visible condensed water vapor plume volume measurements derived from images, weather data, and tower operating conditions. The plume images were simultaneously captured by multiple stationary digital cameras surrounding the cooling tower. An analysis technique combining structure from motion (SfM), a neural-network-based image segmentation algorithm, and space carving was used to quantify the volumes. Afterwards, the power output was computed using novel techniques in the one-dimensional code that included cooling tower exhaust plume adjacency effects implemented with a modified version of the entrainment function, weather data averaged from eleven stations, and fan operations at the times when plume volumes were measured. The model was then compared with the averaged observed power output, and it validated well with an average error ranging from 6 to 12%, depending on the meteorological data used in the simulations. This methodology can possibly determine power plant fuel consumption rates by applying visible imagery.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Electrochemical production of H 2 O 2 on palladium-based clusters driven by metal–support interaction

Utilizing palladium (Pd) clusters as active sites offers a promising route to minimize noble metal consumption in electrochemical hydrogen peroxide (H 2 O 2 ) production. In this work, we present a synthesis approach for anchoring Pd-based clusters onto carbon-supported CeO 2 nanosubstrates to enable efficient H 2 O 2 generation via the two-electron oxygen reduction reaction (ORR) pathway. By systematically adjusting Pd loading, we evaluated its impact on H 2 O 2 yield and production rate. The catalyst with the lowest Pd content (0.027 wt%) exhibited outstanding performance, achieving 97% H 2 O 2 selectivity, 94.2 faradaic efficiency at 0.7 V vs. RHE, and a peak production rate of 195.8 mol g Pd −1 h −1 . A formulation containing 0.35 wt% Pd delivered a peak ORR mass activity nearly three times as high as that of commercial 10 wt% Pd/C, while retaining comparable electrochemical stability. These enhancements are attributed to synergistic effects among isolated PdO clusters, CeO 2 nanocrystals, and the conductive carbon support, which together facilitate oxygen adsorption and promote the two-electron ORR pathway. Analysis after accelerated durability testing further revealed a tendency toward cluster agglomeration and mass transfer from smaller to larger nanocrystals, indicative of a coarsening mechanism. Overall, this study underscores the promise of low-Pd PdO–CeO 2 –carbon hybrid catalysts for scalable and efficient H 2 O 2 electrosynthesis, while highlighting stability as a critical area for future improvement.

36 MATERIALS SCIENCE↗

Comparison of the Arrhenius parameters between conventional hydrothermal and microwave-assisted synthesis methods for tin oxide nanoparticles

Microwave (MW) irradiation has emerged as a powerful tool for accelerating materials synthesis, yet the origins of its specific influence on reaction kinetics remain elusive. While multiple studies have attributed the observed enhancements in reaction rates under MW heating to reduced activation energies, other accounts have suggested modifications to the Arrhenius pre-exponential factor as the predominant cause. Distinguishing between these parameters in modern applications of MW processing in nanomaterials requires experimental approaches capable of resolving the dynamic and nuanced structural kinetics that govern MW-assisted chemistry. Here, we combine in-situ synchrotron X-ray total scattering with pair distribution function (PDF) analysis to track the structural evolution of SnO 2 nanoparticles synthesized via MW-assisted and conventional hydrothermal conditions. Avrami modeling and Arrhenius analysis suggest that although MW irradiation yields a higher apparent activation energy, the enhanced crystallization is better explained by a pre-exponential factor several orders of magnitude larger than that of conventional heating. These findings suggest that the MW field induces a higher frequency of successful molecular rearrangements rather than lowering the intrinsic activation barrier. The results contribute further insights clarifying the role of the applied MW field for materials design where MW-specific effects can be deliberately harnessed. Furthermore, this work presents a framework promoting the utility of in-situ PDF characterization coupled with kinetic analysis for developing more sophisticated descriptions of nanoscale transformations for MW-driven reaction kinetics.

36 MATERIALS SCIENCE↗

Communications Reliability for Vehicle Grid Integration

Electric Vehicles (EVs) adoption rate has been steadily increasing in the US leading to a growing number of charging stations including faster DC (Direct Current) chargers and slower Level 1 and Level 2 AC (Alternating Current) chargers. This increase in demand for electricity is further exacerbated by recent developments in Artificial Intelligence (AI) technology, advanced manufacturing, and digitization. These factors will require electric utilities to upgrade their infrastructure to keep up with the increasing electrical demand (especially during peak hours). An easy way to counteract the need for these upgrades is to shift a major chunk of active charge sessions (durations where there is energy transfer from charger to EV's propulsion battery) to off-peak hours thereby flattening the load curve and making the infrastructure more resilient. This concept is known as Smart Charge Management (SCM). EV owners also benefit from SCM since it lowers their charging costs and consequently their transportation costs by prioritizing charging during off-peak hours. SCM takes advantage of EV's capability to act as a controllable load or DER (Distributed Energy Resource). This report summarizes the reliability analysis performed on the communication required for two of these SCM use-cases. This analysis only focuses on SCM strategies for unidirectional charging (energy transfer from EVSE to EV or V1G) and not bidirectional charging.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Effects of Traveling Magnetic Field on Dynamics of Solidification

The Lorentz body force induced in electrically conducting fluids can be utilized for a number of materials processing technologies. An application of strong static magnetic fields can be beneficial for damping convection present during solidification. On the other hand, alternating magnetic fields can be used to reduce as well as to enhance convection. However, only special types of time dependent magnetic fields can induce a non-zero time averaged Lorentz force needed for convection control. One example is the rotating magnetic field. This field configuration induces a swirling flow in circular containers. Another example of a magnetic field configuration is the traveling magnetic field (TMF). It utilizes axisymmetric magnetostatic waves. This type of field induces an axial recirculating flow that can be advantageous for controlling axial mass transport, such as during solidification in long cylindrical tubes. Incidentally, this is the common geometry for crystal growth research. The Lorentz force induced by TMF can potentially counter-balance the buoyancy force, diminishing natural convection, or even setting up the flow in reverse direction. Crystal growth process in presence of TMF can be then significantly modified. Such properties as the growth rate, interface shape and macro segregation can be affected and optimized. Melt homogenization is the other potential application of TMF. It is a necessary step prior to solidification. TMF can be attractive for this purpose, as it induces a basic flow along the axis of the ampoule. TMF can be a practical alloy mixing method especially suited for solidification research in space. In the theoretical part of this work, calculations of the induced Lorentz force in the whole frequency range have been completed. The basic flow characteristics for the finite cylinder geometry are completed and first results on stability analysis for higher Reynolds numbers are obtained. A theoretical model for TMF mixing is also developed. In the experimental part, measurements of flow induced by TMF in a column of mercury (Hg) are presented. Also, an alloy mixing of Bi-Sn of the eutectic composition is demonstrated. A traveling magnetic field of 4mT at 3kHz applied for 120 minutes is found to be sufficient to homogenize an alloy enclosed in a 1cm diameter and 12 cm long tube.

Source record↗

Performance Evaluation of AG-1 FC HEPA Filters and Medium in Nuclear Complex Facilities - 20434

High Efficiency Particulate Air (HEPA) filters are credited as the final barrier against the release of radioactive aerosol contamination in nearly every operating U. S. Department of Energy (DOE) and National Nuclear Security Agency (NNSA) nuclear facility. The Institute for Clean Energy Technology (ICET) at Mississippi State University maintains a research program that studies various aspects of these components of containment systems and seeks to answer key questions from across the industry. This programmatic overview will include results from recent and ongoing studies, including a study on filter design and performance envelope, degradation due to aging or fatigue, fire event impact on HEPA filters, and accelerated aging of medium and component parts. ICET has completed a study helping to define the threshold for combined elevated temperature and relative humidity resistance of separator style and separator-less style HEPA filters that are used in DOE complexes. The study provides experimental data that considers elevated temperature, elevated relative humidity (RH), and target differential pressure (dP) in an attempt to gain a better understanding or more comprehensive insight into the operating envelope of different configurations of ASME (American Society for Mechanical Engineers) AG-1 Section FC filters. Test variables including air temperature ranges of 48.88 deg. C, 54.44 deg. C, or 60 deg. C (120, 130, or 140 deg. F); air RH ranges including 60-70%, 80%, or 90+% with initial filter dP of either 497.68 Pa, 746.52 Pa, or 995.36 Pa (2 inches water column (in. w. c.), 3 in. w. c., or 4 in. w. c.) included for full bracketing of each set of conditions. A study examining the effects of aging and fatigue on nuclear grade HEPA filters and medium elucidates the physical properties of media along with testing of new and aged ASME AG-1 HEPA filters. In addition to performing autopsies of the tested, aged filters to help better understand the service life of their performance, newly designed accelerated aging chambers allow new medium to undergo accelerated aging and exposure treatments. Evaluation of degradation in physical properties and functionality requires a high population of aged filters of different ages, designs, manufacturers, and operational histories. The limited availability of this population and the impropriety of looking solely at formulations and components from past years requires experimental design that will provide foresight into future filter performance. This undertaking therefore involves not only properties analysis of aged medium from different operational histories, ages, designs, and manufacturers, but also prescience in analytical goals via accelerated aging studies of newly manufactured media. A more complete understanding of the mechanisms of degradation from past formulations as well as current and future formulations is possible. Accelerated Aging of newly manufactured media utilizes exposure treatments based on the Arrhenius equation to artificially age medium and therefore glimpse into the future. Evaluation of current media properties This testing allows for the comparison of performance and durability of new filters under upset or design basis conditions with aged filters that were in service under ambient conditions and other aged filters retained in storage. Susceptibility of HEPA filters to the effects of combustion byproducts, heat, and water is also being studied in an attempt to gain understanding on the prevention of filter failures during fire events in nuclear facilities. ICET seeks to determine the effect of filter performance due to smoke loading using characterized smoke from variable fuel compositions, geometries, and loads; the smoke capacity of various filters with different burning conditions, heat release rates and transport, as well as mass transport from the air stream will be studied in low flow containment systems. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Analysis of Base Metal Microstructures and Mechanical Properties of a Single-Piece, Spin-Formed Forward Pressure Vessel Bulkhead

In 2012, a pathfinder forward pressure vessel bulkhead (FPVBH) for the Orion Multi-Purpose Crew Vehicle (MPCV) was fabricated using aluminum (Al) alloy 2219. The demonstration article was offered as a replacement for the baseline configuration, which at that time was a multi-piece welded construction using aluminum-lithium (Al-Li) alloy 2195. In 2014, the NASA Engineering and Safety Center (NESC) funded a Phase I effort to explore spin-forming as a manufacturing method to produce a complex-shaped, single-piece FPVBH for the crew module (CM) [1]. The primary focus of the NESC effort was to expand spin-forming technology to the fabrication of an Al-Li 2195 FPVBH. As a result, limited testing and analysis was performed on the original Al 2219 article. In this study, a sufficiently large plate of Al 2219 was not available for the fabrication of a FPVBH. Therefore, the forming blank comprised two plates (from different lots) butt welded together using a single friction stir weld. The welded forming blank was then spin formed into the FPVBH configuration and heat treated to the T62 temper. Mechanical property testing of the spin-formed 2219-T62 FPVBH revealed that the tensile properties were comparable to the Metallic Material Properties Development and Standardization (MMPDS) A-basis allowable for Al 2219-T6 wrought products. However, post-spin forming application of the standard heat treatment produced large, recrystallized grains in the material. The response varied within the two plates; one plate lot exhibited nearly complete recrystallization, while the other lot contained bands of recrystallization. Although no reduction in tensile properties was observed due to these microstructural variations, a more detailed investigation was recommended to better understand the effect of spin forming on the recrystallization mechanism and the impact on other material properties. The current study examined the microstructure and mechanical properties of the fully processed Al 2219-T62 FPVBH with emphasis on comparing differences between the two plates. Testing was limited to the cone region of the FPVBH. The two specific tasks in this study were: a) Characterization of the microstructure and mechanical properties in the two plates used in the FPVBH. b) Isolation of the impact of each step in the thermo-mechanical processing (TMP) sequence of the FPVBH on recrystallization and grain growth. Mechanical property testing sampled regions containing both large, recrystallized and small, unrecrystallized grains. Tensile strengths and elongations were equivalent in both regions and exceeded MMPDS A-basis allowables. Fracture toughness was equivalent in both regions and fracture morphology was typical of aluminum alloys. The fatigue precrack region of the fracture toughness specimens appeared more faceted in the recrystallized plate. This suggests that property testing that is more sensitive to grain size, such as fatigue crack growth rate and stress corrosion cracking, may be warranted. Alcoa reviewed the production records for the two plate lots and confirmed that composition of both plates was within the allowable range for Al 2219 and that plate processing steps were all performed within production limits. However, the Fe content was notably higher in the fully recrystallized plate, resulting in a greater volume fraction of large Fe-bearing inclusions and Al-Cu constituent particles. Alcoa did not provide details regarding plate processing variables for the two plate lots. It was surmised that deformation by hot rolling was the most accurate TMP simulation of commercial spin forming within a laboratory setting. Both hot rolling and spin forming comprise combinations of shear and compressive deformation. The through-thickness strain caused by hot rolling is symmetrical about the mid-plane, as the rollers contact both sides of the material. Shear strains are maximum at the inner and outer surfaces and trend toward zero at the mid-thickness. In contrast, spin forming utilizes a single roller on the outer surface, producing a gradient in shear stress through the thickness. Shear strains in spin-formed material are highest at the outer surface due to direct contact with the roller, and trend toward zero at the inner surface. Consequently, there will undoubtedly be some discrepancies in the mechanical response of hot-rolled and spin-formed products in the through-thickness direction. Interrupted TMP simulations were performed on remnant plate from the FPVBH forming blank in order to isolate the effects of a post-weld anneal, spin-forming deformation/thermal cycling, and solution heat treatment (SHT) on development of the recrystallized microstructures. Analysis confirmed that large, recrystallized grains formed exclusively during SHT and only after a certain deformation level was exceeded. Remnant plate from both lots that received thermal processing only did not exhibit recrystallization but exhibited fully recrystallized microstructures when processed by hot rolling. This indicates that (1) the level of deformation exceeded the critical level for recrystallization in both plates and (2) that the level of deformation during hot rolling was greater than that which accumulated during spin forming of the FPVBH. Comparison of the hot-rolled plate with the spin-formed material showed that the recrystallized grain size was larger in the FPVBH, providing further evidence that deformation levels were lower in the FPVBH. The most plausible explanation for the differing degrees of recrystallization in the two plates is particle stimulated nucleation (PSN) at the Fe-bearing inclusions and large Al-Cu constituent particles. In the plate with higher solute content, the greater volume fraction of these particles reduces the deformation level required to promote recrystallization. During spin forming the critical deformation level was likely exceeded for the higher Fe content plate resulting in a fully recrystallized microstructure. The lower Fe content plate developed a microstructure that exhibited bands of recrystallization due to the combination of a non-uniform distribution of particles and deformation. The critical deformation required for recrystallization was likely only exceeded during spin forming in regions of higher particle content. While there were differences in Fe content between these lots of Al 2219 plate, the composition of both was within defined alloy limits and Alcoa reported no anomalies during plate production. The observed differences in recrystallization after spin forming may reflect the inherent variability between these two lots of plate. The spin-forming vendor, Spincraft, reported that similar variations in recrystallized microstructures have been observed during examination of multiple spin-forming trials of a different 2xxx series aluminum alloy. Hence, tighter chemical specification limits on impurity levels in Al 2219 plate may help ensure uniform, predictable microstructures. Finally, the tensile and fracture toughness properties were not affected by the microstructural variations noted.

single-piece↗

Computational fluid dynamics modeling and analysis of silica nanoparticle synthesis in a flame spray pyrolysis reactor

Flame Spray Pyrolysis (FSP) is a method for large-scale production of nanoparticles and nanoscale powders employed in a wide range of industrial applications. Particle size and morphology are complex functions of the physicochemical phenomena occurring in the FSP reactor. An extensive study of FSP-related phenomena can be utilized to develop effective strategies for achieving desired particle size/morphology and scaling up the overall yield of an FSP system. In this work, a computational fluid dynamics (CFD) model of an FSP reactor is developed to simulate the coupling of key phenomena involved in the particle synthesis process: liquid spray breakup and evaporation, mixing, combustion, and particle formation/growth of silica nanoparticles. Herein, the particle sizes and their distributions from the CFD simulations are validated against experimental data. Subsequently, the simulations are utilized to investigate the impact of process parameters on the resultant flame dynamics and particle growth. Firstly, the CFD results show that the particle sizes are strongly correlated with the precursor concentration in the solvent. At lower precursor concentrations, the spread of the distribution is relatively insensitive to the value of the concentration. At higher concentrations, the spread is higher as the collision probability between particles is higher. Secondly, increasing the pilot flow rate increases the length of the pilot flames impacting the local ignition location of the spray flame. Lastly, it is shown that the dispersion gas flow rate strongly influences the spray flame shape. This shape can be used for control of particle growth as it helps determine the regions of high temperature and the residence time of the particles in the high temperature region enabling the design and process optimization of the FSP reactor.

42 ENGINEERING↗

Conversion of acenaphthalene to phenalene via methylation: A theoretical study

Ab initio calculations of the C 13 H 10 and C 13 H 9 potential energy surfaces related to the reaction of 1-acenaphthyl and methyl radicals and secondary isomerization of C 13 H 9 primary radical products have been performed at the chemically accurate G3(MP2,CC)//B3LYP/6-311G** level of theory to unravel the mechanism of conversion of acenaphthalene to phenalene or phenalenyl radical + H. The computed energetics and molecular parameters were utilized in Rice-Ramsperger-Kassel-Marcus Master Equation (RRKM-ME) calculations of reaction rate constants and relative product yields. The 1-acenaphthyl + CH 3 reaction is predicted to proceed by a fast radical-radical recombination mechanism and to predominantly produce collisionally stabilized 1-methylacenaphthalene B1 or a C 13 H 9 benzylic radical A1 + H with exothermicities of 106.8 and 25.2 kcal/mol, respectively. The A1 + H channel is preferable at higher temperatures, whereas the stabilization of 1-methylacenaphthalene is favored at higher pressures. The radical A1 can nearly irreversibly interconvert to phenalenyl radical AP via a 22.7 kcal/mol exothermic isomerization process involving formal insertion of the CH 2 group into a C-C bond of the five-member ring leading to the expansion of this ring to a six-member ring. The rate constants for the H addition reaction to phenalenyl radical to form phenalene and the reverse H loss from phenalene were also computed and the strength of the weakest C-H bond in the CH 2 group of phenalene is evaluated as 62.2 kcal/mol. The analysis of the reaction kinetics allowed us to deduce a mechanism for the conversion of 1-acenaphthyl radical to phenalene or phenalenyl radical + H via methylation involving the formation of A1 via a well-skipping channel or stabilization and dissociation of (or H abstraction from) B1 followed by isomerization of A1 to phenalenyl AP, which can add an H atom producing phenalene. As a result, rate constants for the significant elementary reactions are fitted to modified Arrhenius expressions and are proposed for kinetic modeling of the expansion of a five-member ring on a zigzag edge of PAH to a six-member ring by methylation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Wind Turbine Sound Setbacks and Supply Curves: Ordinances and Extrapolated Trends, 110 Hub Height, 130 Rotor Diameter

This dataset provides a comprehensive set of wind turbine sound setbacks from every residential structure in the contiguous United States (CONUS). A sound setback is defined as the minimum required distance between a residential structure and a hypothetical turbine installation site to ensure that modeled sound levels received at the residence do not exceed local sound ordinances, which are commonly expressed in A-weighted decibels (dBA). Therefore, sound setbacks are a local spatial assessment combining multiple factors, including the sound pressure curve as a function of the observer location (distance and direction) relative to the turbine, local sound regulations, and the geographical distribution of residential structures. The dataset is organized into multiple scenario-based products, detailed as follows: 1. Existing and extrapolated sound setbacks. An existing scenario characterizes sound setbacks only in states or counties that have implemented sound regulations as of 2022. The extrapolated scenarios extend a constant sound threshold to counties that lack explicit sound regulations, with thresholds ranging from 35 to 60 dBA, in 5-dBA increments reflecting the variation observed in current sound ordinances. 2. Sound setbacks in directional and worst scenarios. The directional scenario accounts for the distance and orientation of residential structures relative to a hypothetical turbine location, utilizing the turbine's sound emissions in that specific direction. In contrast, the worst scenario takes loudest sound level at each distance step from the turbine, irrespective of directional considerations, which aligns with current industry practice. 3. Supply curves for Open and Reference Access scenarios. This dataset includes supply curves generated by the reV model, which integrates each of the above sound setbacks into both Open and Reference siting scenarios. In addition, two Open and Reference baselines scenarios were included which do not consider sound setbacks for comparative analysis. All sound setback data are stored in TIF files, with partial maps of the data provided in PNG format. The values in the sound setback raster range from 0 to 1, representing the fraction of developable land within a 90 meter by 90 meter pixel due to sound ordinances. A value of 0 indicates areas where wind energy development is prohibited, while a value of 1 signifies areas fully permissible. The wind turbine parameters used in the sound modeling are based on the land-based turbine from International Energy Agency (IEA), featuring a rated electrical power of 3.4 MW, a rotor diameter of 130 meters, and a hub height of 110 meters. The atmospheric conditions, including wind speed/direction, turbulence, air temperature, relative humidity, and air pressure, that drive the sound generation are obtained from the WIND Toolkit dataset.

Array↗

Thermal Control Using Liquid-Metal Bridge Switches

A short term effort (3-months) was undertaken to demonstrate the feasibility of a novel method to locally control the heat transfer rate and demonstrate the potential to achieve a turndown ratio of approximately 10:1. The technology had to be demonstrated to be at a TRL of 2-3, with a plan to advance it to a TRL 5-6. Here, we show that the concept recently developed in our laboratory, namely the pinned-contact, double droplet switch made by overfilling a hole drilled in a suitable substrate can be implemented with a low-melting temperature metal. When toggled near a second substrate, a liquid bridge can be reversibly connected or disconnected, on demand. We have shown experimentally that liquid-metal bridge switches can be made from gallium with a suitable choice of substrate materials, activation strategies, and control techniques. Individual as well as arrays of gallium bridge switches were shown to be feasible and can be robustly controlled. The very short response time of the bridge connection and disconnection (on the order of 1 millisecond) provides for utility in a wide range of applications. The liquid bridge switches may be controlled actively or passively. We have shown through computations and analysis that liquid bridge switches provide locally large turndown ratios (on the order of 103:1), so a relatively sparse packing of them would be needed to obtain the desired turndown ratio of 10:1. For the laboratory demonstrations, pressure activation was utilized. Simple designs for a passive control strategy are presented which are highly attractive for several reasons, including i) large turndown ratio, ii) no solid-moving parts, and iii) stable operation. Finally, we note that passive systems do not require any electronics for their control. This along with the relatively small molecular weight of candidate materials for the system, makes for a robust design outside of Earth?s magnetic field, where spacecraft are subject to significant radiation bombardment.

Hirsa, Amir H.↗

Solar Versus Fission Surface Power for Mars

A multi-discipline team of experts from the National Aeronautics and Space Administration (NASA) developed Mars surface power system point design solutions for two conceptual missions to Mars using In-situ resource utilization (ISRU). The primary goal of this study was to compare the relative merits of solar- versus fission-powered versions of each surface mission. First, the team compared three different solar-power options against a fission power system concept for a sub-scale, uncrewed demonstration mission. This “pathfinder” design utilized a 4.5 meter diameter lander. Its primary mission would be to demonstrate Mars entry, descent, and landing techniques. Once on the Martian surface, the lander’s ISRU payload would demonstrate liquid oxygen propellant production from atmospheric resources. For the purpose of this exercise, location was assumed to be at the Martian equator. The three solar concepts considered included a system that only operated during daylight hours (at roughly half the daily propellant production rate of a round-the-clock fission design), a battery-augmented system that operated through the night (matching the fission concept’s propellant production rate), and a system that operated only during daylight, but at a higher rate (again, matching the fission concept’s propellant production rate). Including 30% mass growth allowance, total payload masses for the three solar concepts ranged from 1,128 to 2,425 kg, versus the 2,751 kg fission power scheme. However, solar power masses increase as landing sites are selected further from the equator, making landing site selection a key driver in the final power system decision. The team also noted that detailed reliability analysis should be performed on daytime-only solar power schemes to assess potential issues with frequent ISRU system on/off cycling.

Rucker, Michelle A.↗