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At least 1,387 records · Page 77

Ultrasonic measurement of temperature distributions in extreme environments: Electrical power plants testing in utility-scale steam generators

Thermal heterogeneities within energy conversion and storage, material processing, nuclear processes, aerospace, and military applications are often inaccessible to characterization by insertion sensors. When sensor deployment is possible, conventional pointwise temperature probes quickly degrade when inserted into harsh environments typical of such processes. We developed spatially-resolved ultrasonic thermometry to noninvasively measure the spatial distributions of thermal properties in such applications, even when sizable thermal gradients are present. Our method divides the path of ultrasonic propagation into segments bound by echogenic features, which create echoes in pulse-echo mode, encoding the information about interior temperature distributions. We use the acquired ultrasonic responses to estimate the internal temperature distributions by solving an inverse problem or concatenating segmental estimates. This work describes the implementation and industrial testing of the developed method at a coal-fired electrical power generation plant. We inserted an echogenically segmented Inconel 625 waveguide into the combustion zone of the utility-scale boiler and continuously acquired ultrasonic data while keeping sensitive components away from the damaging combustion environment. The accuracy of the time-dependent temperature distributions reconstructed from the ultrasonic measurements was comparable to that of thermocouples. The resiliency of ultrasonic thermometry to harsh combustion conditions was far superior to conventional insertion sensors. The measurements obtained during plant operation captured daily steam generation cycles in response to changing customer demand and intermittent contributions of renewable power sources to the power grid. These measurements have revealed new insights into the relationship between the dynamic power generation load and the conditions inside the steam generator. As a result, the successful industrial testing of spatially-resolved ultrasonic thermometry in solids indicates that the developed technology has matured to become an attractive alternative to conventional sensing in solving challenging problems of long-term thermal characterizations in extreme environments.

42 ENGINEERING↗

The effect of gender and age structure on municipal waste generation in Poland

Highlights: • An effect of gender and age structure on municipal waste generation was presented. • The waste accumulation index is influenced by a number of unemployed women. • Greater share of women in society contributes to greater waste production. • A model describing the analyzed dependences was determined. - Abstract: In this study the effect of gender and age structure on municipal waste generation was investigated. The data from 10-year period, from 2001 to 2010 year, were taken into consideration. The following parameters of gender and age structure were analyzed: men and woman quantity, female to male ratio, number of working, pre-working and post-working age men/women, number of unemployed men/women. The results have showed a strong correlation of annual per capita waste generation rate with number of unemployed women (r = 0.70) and female to male ratio (r = 0.81). This indicates that waste generation rate is more depended on ratio of men and women that on quantitative size of each group. Using the regression analysis a model describing the dependence between female to male ratio, number of unemployed woman and waste quantity was determined. The model explains 70% of waste quantity variation. Obtained results can be used both to improve waste management and to a fuller understanding of gender behavior.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A comparative study of leachate quality and biogas generation in simulated anaerobic and hybrid bioreactors

Highlights: • Temporary aeration shortened the initial acid inhibition phase for methanogens. • COD decreased faster in the hybrid bioreactor than that in the anaerobic control. • Methane generations from hybrid bioreactors were 133.4 L/kg{sub vs} and 113.2 L/kg{sub vs}. • MSW settlement increased with increasing the frequency of intermittent aeration. - Abstract: Research has been conducted to compare leachate characterization and biogas generation in simulated anaerobic and hybrid bioreactor landfills with typical Chinese municipal solid waste (MSW). Three laboratory-scale reactors, an anaerobic (A1) and two hybrid bioreactors (C1 and C2), were constructed and operated for about 10 months. The hybrid bioreactors were operated in an aerobic–anaerobic mode with different aeration frequencies by providing air into the upper layer of waste. Results showed that the temporary aeration into the upper layer aided methane generation by shortening the initial acidogenic phase because of volatile fatty acids (VFAs) reduction and pH increase. Chemical oxygen demand (COD) decreased faster in the hybrid bioreactors, but the concentrations of ammonia–nitrogen in the hybrid bioreactors were greater than those in the anaerobic control. Methanogenic conditions were established within 75 d and 60 d in C1 and C2, respectively. However, high aeration frequency led to the consumption of organic matters by aerobic degradation and resulted in reducing accumulative methane volume. The temporary aeration enhanced waste settlement and the settlement increased with increasing the frequency of aeration. Methane production was inhibited in the anaerobic control; however, the total methane generations from hybrid bioreactors were 133.4 L/kg{sub vs} and 113.2 L/kg{sub vs}. As for MSW with high content of food waste, leachate recirculation right after aeration stopped was not recommended due to VFA inhibition for methanogens.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Extraction of lead from waste CRT funnel glass by generating lead sulfide – An approach for electronic waste management

Highlights: • Sodium carbonate and free silica in the glass react to generate sodium silicate and carbon dioxide. • Sodium sulfide and lead silicate group of glass began to react to lead sulfide and sodium silicate. • Lead sulfide got together in the bottom of the crucible under the action of gravity. • The generated lead sulfide was separated and collected in the bottom of the crucible. - Abstract: Waste cathode ray tube (CRT) funnel glass is the key and difficult points in waste electrical and electronic equipment (WEEE) disposal. In this paper, a novel and effective process for the detoxification and reutilization of waste CRT funnel glass was developed by generating lead sulfide precipitate via a high-temperature melting process. The central function in this process was the generation of lead sulfide, which gathered at the bottom of the crucible and was then separated from the slag. Sodium carbonate was used as a flux and reaction agent, and sodium sulfide was used as a precipitating agent. The experimental results revealed that the lead sulfide recovery rate initially increased with an increase in the amount of added sodium carbonate, the amount of sodium sulfide, the temperature, and the holding time and then reached an equilibrium value. The maximum lead sulfide recovery rate was approximately 93%, at the optimum sodium carbonate level, sodium sulfide level, temperature, and holding time of 25%, 8%, 1200 °C, and 2 h, respectively. The glass slag can be made into sodium and potassium silicate by hydrolysis in an environmental and economical process.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Deep generative molecular design reshapes drug discovery

Recent advances and accomplishments of artificial intelligence (AI) and deep generative models have established their usefulness in medicinal applications, especially in drug discovery and development. To correctly apply AI, the developer and user face questions such as which protocols to consider, which factors to scrutinize, and how the deep generative models can integrate the relevant disciplines. This review summarizes classical and newly developed AI approaches, providing an updated and accessible guide to the broad computational drug discovery and development community. We introduce deep generative models from different standpoints and describe the theoretical frameworks for representing chemical and biological structures and their applications. We discuss the data and technical challenges and highlight future directions of multimodal deep generative models for accelerating drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗

SM22 is required for the maintenance of actin-rich structures generated during bacterial infections

Highlights: • SM22 colocalizes with actin at EPEC pedestals and L. monocytogenes comet tails, • SM22 depletion reduces EPEC pedestals and L. monocytogenes comet tail abundance, • SM22 overexpression enhances L. monocytogenes comet tail formation. The host actin cytoskeleton is utilized by an assortment of pathogenic bacteria to colonize and cause disease in their hosts. Two prominently studied actin-hijacking bacteria are enteropathogenic Escherichia coli (EPEC) and Listeria monocytogenes. EPEC form actin-rich pedestals atop its host cells to move across the intestinal epithelia, while Listeria monocytogenes generate branched actin networks arranged as actin clouds around the bacteria and as comet tails for propulsion within and amongst their host cells. Previous mass spectrometry analysis revealed that a member of the calponin family of actin-bundling proteins, transgelin/SM22 was enriched in EPEC pedestals. To validate that finding and examine the role of SM22 during infections, we initially immunolocalized SM22 in EPEC and L. monocytogenes infected cells, used siRNA to deplete SM22 and EGFP-SM22 to overexpress SM22, then quantified the alterations to the bacterially generated actin structures. SM22 concentrated at all bacterially-generated actin structures. Depletion of SM22 resulted in fewer pedestals and comet tails and caused comet tails to shorten. The decrease in comet tail abundance caused a proportional increase in actin clouds whereas overexpression of SM22 reversed the actin cloud to comet tail proportions and increased comet tail length, while not influencing EPEC pedestal abundance. Thus, we demonstrate that SM22 plays a role in regulating the transitions and morphological appearance of bacterially generated actin-rich structures during infections.

60 APPLIED LIFE SCIENCES↗

Consumptive Water Use from Electricity Generation in the Southwest under Alternative Climate, Technology, and Policy Futures

This research assesses climate, technological, and policy impacts on consumptive water use from electricity generation in the Southwest over a planning horizon of nearly a century. We employed an integrated modeling framework taking into account feedbacks between climate change, air temperature and humidity, and consequent power plant water requirements. These direct impacts of climate change on water consumption by 2095 differ with technology improvements, cooling systems, and policy constraints, ranging from a 3–7% increase over scenarios that do not incorporate ambient air impacts. Upon additional factors being changed that alter electricity generation, water consumption increases by up to 8% over the reference scenario by 2095. With high penetration of wet recirculating cooling, consumptive water required for low-carbon electricity generation via fossil fuels will likely exacerbate regional water pressure as droughts become more common and population increases. Adaptation strategies to lower water use include the use of advanced cooling technologies and greater dependence on solar and wind. Water consumption may be reduced by 50% in 2095 from the reference, requiring an increase in dry cooling shares to 35–40%. Alternatively, the same reduction could be achieved through photovoltaic and wind power generation constituting 60% of the grid, consistent with an increase of over 250% in technology learning rates.

54 ENVIRONMENTAL SCIENCES↗

Hexavalent Chromium Generation within Naturally Structured Soils and Sediments

Chromium(VI) produced from the oxidation of indigenous Cr(III) minerals is increasingly being recognized as a threat to groundwater quality. A critical determinant of Cr(VI) generation within soils and sediments is the necessary interaction of two low-solubility phases$-$Cr(III) silicates or (hydr)oxides and Mn(III/IV) oxides—that lead to its production. Here in this paper, we investigate the potential for Cr(III) oxidation by Mn oxides within fixed solid matrices common to soils and sediments. Artificial aggregates were constructed from Cr(OH) 3 - and Cr 0.25 Fe 0.75 (OH) 3 -coated quartz grains and either mixed with synthetic birnessite or inoculated with the Mn(II)-oxidizing bacterium Leptothrix cholodnii. In aggregates simulating low organic carbon environments, we observe Cr(VI) concentrations within advecting solutes at levels more than twenty-times the California drinking water standard. Chromium(VI) production is highly dependent on Cr-mineral solubility; increasing Fe-substitution (x = 0 to x = 0.75) decreases the solubility of the solid and concomitantly decreases total Cr(VI) generation by 37%. In environments with high organic carbon, reducing conditions within aggregate cores (microbially) generate sufficient Fe(II) to suppress Cr(VI) efflux. Our results illustrate Cr(VI) generation from reaction with Mn oxides within structured media simulating soils and sediments and provide insight into how fluctuating hydrologic and redox conditions impact coupled processes controlling Cr and Mn cycling.

54 ENVIRONMENTAL SCIENCES↗

Theory of Plasmonic Hot-Carrier Generation and Relaxation

Hot-carrier (HC) generation from (localized) surface plasmon decay has recently attracted much attention due to its promising applications in physical, chemical, materials, and energy science. However, the detailed mechanisms of plasmonic HC generation, relaxation, and trapping are less studied. In this work, we developed and applied a quantum-mechanical model and coupled master equation method to study the generation of HCs from plasmon decay and their following relaxation processes with different mechanisms treated on equal footing. First, a quantum-mechanical model for HC generation is developed. Its connection to existing semiclassical models and time-dependent density functional theory (TDDFT) is discussed. Second, the relaxation and lifetimes of HCs are investigated in the presence of electron–electron and electron–phonon interactions. A GW-like approximation is introduced to account for the electron–electron scattering. The numerical simulations on the Jellium nanoparticles with a size up to 1.6 nm demonstrate the electron–electron scattering and electron–phonon scattering dominate different time scale in the relaxation dynamics. We also generalize the model to study the extraction of HCs to attached molecules. The quantum yield of extracting HCs for other applications is found to be size-dependent. In general, the smaller size of NP improves the quantum yield, which is in agreement with recent experimental measurements. Even though we demonstrate this newly developed theoretical formalism with Jellium model, the theory applies to any other atomistic models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plasmonic Hot-Carrier Generation and Catalysis in Ti 3 C 2 O 2 from Real-Time TDDFT Simulations

Photoinduced hot electrons are central to plasmon-driven catalysis. Atomically thin Ti 3 C 2 O 2 , with high carrier density and broad optical absorption, offers a promising platform for plasmon-driven reactions. However, comprehensive investigations of its plasmon resonance, hot-carrier generation, and plasmonic catalytic performance remain limited. In this work, real-time time-dependent density functional theory (rt-TDDFT) was employed to study Ti 3 C 2 O 2 ’s plasmon excitation and hot-carrier generation from nonradiative plasmon damping. The temporal evolution of the dipole moment reveals plasmon resonance in Ti 3 C 2 O 2 , followed by strong plasmon damping that redistributes the stored energy to generate hot carriers. Ti 3 C 2 O 2 with low oxygen vacancy concentration (O v -Ti 3 C 2 O 2 ) exhibits plasmonic behavior resembling the pristine surface, and the plasmon-generated hot electrons can markedly reduce the dissociation barrier of CO 2 at the oxygen vacancy. These findings provide fundamental insights into the plasmonic properties of Ti 3 C 2 O 2 and how they drive its catalytic performance in surface reactions, which is valuable for advancing plasmon-driven catalysis.

CO2 reduction↗

Simultaneous Energy Generation and Flow Enhancement (Electroslippage Effect) in Polyelectrolyte Brush Functionalized Nanochannels

Energy generation through nanofluidics is a topic of great nanotechnological relevance. In this work, we conduct all-atom molecular dynamics (MD) simulations of the transport of water and ions in a pressure-driven flow in nanochannels grafted with charged polyelectrolyte (PE) brushes and discover the possibility of simultaneous electrokinetic energy generation and flow enhancement (henceforth denoted as the electroslippage effect). Such PE-brush-functionalized nanochannels have been recently shown to demonstrate an overscreening (OS) effect (characterized by the presence of a greater number of screening counterions within the PE brush layer than needed to screen the PE brush charges), a consequent presence of excess coions within the PE brush-free bulk, and a coion-driven electroosmotic (EOS) transport in the presence of small to moderate applied axial electric fields. Here, however, we find that the streaming current, which represents the current generated by the flow-driven downstream advection of the charge imbalance present within the electric double layer (EDL) that screen the PE brush charges, is governed by the migration of the counterions. This stems from the fact that the highest contribution to the overall streaming current arises from the region near the PE brush-water interface (where there is an excess of counterions), while the brush-free bulk yields a hitherto unreported, but small, coion-dictated streaming current. This downstream advection of the charge imbalance (and the resultant counterion-driven streaming current) eventually leads to the development of an electric field (streaming electric field) in the direction that is opposite to the direction of the counterion-driven streaming current. The streaming current and the streaming electric field interact to generate the electrokinetic energy. Equally importantly, this streaming electric field induces an EOS transport, which becomes coion-driven, due to the presence of excess coions in the brush-free bulk. For the case of nanochannels grafted with negatively charged PE brushes, the streaming electric field will be in a direction that is opposite to the pressure-driven transport, and hence the coion (or anion) driven EOS flow, will be in the same direction as the pressure-driven transport. On the other hand, for the case of nanochannels grafted with positively charged PE brushes, the streaming electric field will be in the same direction as the pressure-driven flow, and hence the coion (or cation) driven EOS flow, will again be in the same direction as the pressure-driven flow. Therefore, whenever there occurs the presence of the OS and the resulting coion-driven EOS transport in PE brush grafted nanochannels, regardless of the sign of the charges of the PE brushes, this EOS transport will always aid the pressure-driven transport and will cause the most fascinating increase in the net volume flow rate across the nanochannel cross section, which is the electroslippage effect.

overscreening↗

Advanced Microstructured BaTiO 3 -Embedded PVDF–HFP/PEO Film for Enhanced Triboelectric Interface in Self-Sufficient Energy Generation and Sensing

The global reliance on fossil fuels and natural gas has largely dominated the energy production field, but due to finite resource depletion and escalating greenhouse gas emissions, the immediate exploration of sustainable energy alternatives to mitigate climate change and ensure resource security has been a major concern. There has been extensive research into other more renewable methods of energy production, such as wind and hydropower. Of these current energy generation types, there are many areas of untapped potential from the mechanical movements generated ambiently not only in the large scale of power generation but also on a smaller scale. The piezoelectric and triboelectric effects are phenomena where these ambient mechanical movements can generate electrical energy. Developing a hybrid system that leverages both mechanical stress and surface charges presents an ideal opportunity to exploit these untapped energy sources. Producing a hybrid PVDF–HFP/PEO film with perovskite BaTiO 3 (BTO) enables ambient power harvesting from both mechanical movement and surface charge. The optimized cell produced a potential of up to 15 V and a current of 200 nA with a 68 kΩ resistor, a substantial increase from a base system with an average of 2.1 V and 40 nA. These hybrid TENGs offer significant potential for energy harvesting in small-scale applications, such as health monitoring devices and indicators in electric circuits.

Ybarra, Rigobert [University of Texas Rio Grande V↗

Ultrafast Plasmonic Control of Second Harmonic Generation

Efficient frequency conversion techniques are crucial to the development of plasmonic metasurfaces for information processing and signal modulation. In principle, nanoscale electric-field confinement in nonlinear materials enables higher harmonic conversion efficiencies per unit volume than those attainable in bulk materials. Here we demonstrate efficient second-harmonic generation (SHG) in a serrated nanogap plasmonic geometry that generates steep electric field gradients on a dielectric metasurface. An ultrafast control pulse is used to control plasmon-induced electric fields in a thin-film material with inversion symmetry that, without plasmonic enhancement, does not exhibit an even-order nonlinear optical response. The temporal evolution of the plasmonic near-field is characterized with ~100 as resolution using a novel nonlinear interferometric technique. The serrated nanogap is a unique platform in which to investigate optically controlled, plasmonically enhanced harmonic generation in dielectric materials on an ultrafast time scale. Lastly, this metamaterial geometry can also be readily extended to all-optical control of other nonlinear phenomena, such as four-wave mixing and sum- and difference-frequency generation, in a wide variety of dielectric materials.

36 MATERIALS SCIENCE↗

Quantity, Quality, and Availability of Waste Heat from United States Thermal Power Generation

Secondary application of unconverted heat produced during electric power generation has the potential to improve the life-cycle fuel efficiency of the electric power industry and the sectors it serves. Here this work quantifies the residual heat (also known as waste heat) generated by U.S. thermal power plants and assesses the intermittency and transport issues that must be considered when planning to utilize this heat. Combining Energy Information Administration plant-level data with literature-reported process efficiency data, we develop estimates of the unconverted heat flux from individual U.S. thermal power plants in 2012. Together these power plants discharged an estimated 18.9 billion GJ th of residual heat in 2012, 4% of which was discharged at temperatures greater than 90 °C. We also characterize the temperature, spatial distribution, and temporal availability of this residual heat at the plant level and model the implications for the technical and economic feasibility of its end use. Increased implementation of flue gas desulfurization technologies at coal-fired facilities and the higher quality heat generated in the exhaust of natural gas fuel cycles are expected to increase the availability of residual heat generated by 10.6% in 2040.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Measurement of OH* Generation by Pulverized Minerals Using Electron Spin Resonance Spectroscopy and Implications for the Reactivity of Planetary Regolith

Mineral analogs to silicate phases common to planetary regolith, including olivine; the pyroxenes augite and diopside; the plagioclase feldspars labradorite, bytownite, and albite; the Johnson Space Center-1A lunar regolith simulant; as well as quartz (used as a reference), were subjected to mechanical pulverization by laboratory milling for times ranging from 5 to 45 min. Pulverized minerals were then incubated in an aqueous solution containing the free radical spin trapping compound 5,5-Dimethyl-1-Pyrroline-N-Oxide for times ranging from 5 to 30 min. These slurries were then analyzed by Electron Paramagnetic Resonance spectroscopy to quantify the amount of hydroxyl radical (the neutral charge form of the hydroxide ion, denoted as OH*) formed in solution. We find that all tested materials generate an Electron Paramagnetic Resonance spectrum indicating the formation of OH* with concentrations ranging between 0.1 and 1.5 μM. We also find that, in general, mineral pulverization time is inversely correlated to OH* generation, while OH* generation is positively correlated to mineral fluid incubation time for phases that have iron in their nominal chemical formulae, suggesting the possible action of Fenton reaction as a cofactor in increasing the reactivity of these phases. Our results add to a body of literature that indicates that the finely comminuted minerals and rocks present in planetary regolith are capable of generating highly reactive and highly oxidizing radical species in solution. The results provide the foundation for further in vitro and in vivo toxicological studies to evaluate the possible health risks that future explorers visiting the surfaces of planetary bodies may face from these reactive regolith materials.

58 GEOSCIENCES↗

Observation of Oblique Lower Band Chorus Generated by Nonlinear Three-Wave Interaction

Oblique whistler mode waves have been suggested to play an important role in radiation belt electron dynamics. Recently, Fu et al. [2017] proposed that highly oblique lower band whistler waves could be generated by nonlinear three-wave resonance. Here we present the first observational evidence of such process, using Van Allen Probes data, where an oblique lower band chorus wave is generated by two quasi-parallel waves through nonlinear three-wave interaction. The wave resonance condition is satisfied even in the presence of frequency chirping of one of the pump waves. Different from the simulation results of Fu et al. [2017], simultaneous particle data do not show a plateau in the electron distribution, which could be due to the very weak intensity of the generated waves. These results should help to better understand the generation of oblique waves in the inner magnetosphere and their relative roles in energetic electron dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗

Optimizing HAARP Beam Pattern for Generation of Strong F‐Region Field‐Aligned Irregularities

Field-aligned irregularities (FAIs) are the signatures of plasma turbulence and convection in the mid- and high-latitude F-region ionosphere, and also provide coherent backscatter targets for HF radars. To serve irregularity generation and characterization studies, we conducted experiments at the High-frequency Active Auroral Research Program (HAARP) in August 2023 with the goal of identifying the optimal HAARP beam pattern for reliable generation of intense FAIs over a large geographic region. The HAARP beam patterns we tested were the commonly-used narrow beam, also known as L0, as well as the wider L1 and L2 “twisted” beam patterns. The size and intensity of the FAI region generated by each HAARP beam pattern was quantified using the Kodiak Island Super Dual Auroral Radar Network (SuperDARN) radar. Stimulated electromagnetic emissions (SEE) from heater wave-FAI scattering were also recorded using a receiver located near HAARP. The L1 beam pattern was found to produce the strongest SuperDARN backscatter over the largest region. Although the heater frequency was intended to be tuned a few hundred kHz below the F-region critical frequency (foF2) during each experiment, difficulty in estimating foF2 during the campaign likely resulted in HAARP heating at significantly different frequency ranges around foF2 during each experiment. Although this additional free parameter complicated data analysis for this study, the SuperDARN and SEE measurements have led to further inquiry into the role heater frequency plays in the artificial generation of FAIs.

58 GEOSCIENCES↗

Theory of highly efficient multiexciton generation in type-II nanorods

Multiexciton generation, by which more than a single electron–hole pair is generated on optical excitation, is a promising paradigm for pushing the efficiency of solar cells beyond the Shockley–Queisser limit of 31%. Utilizing this paradigm, however, requires the onset energy of multiexciton generation to be close to twice the band gap energy and the efficiency to increase rapidly above this onset. This challenge remains unattainable even using confined nanocrystals, nanorods or nanowires. Here, we show how both goals can be achieved in a nanorod heterostructure with type-II band offsets. Using pseudopotential atomistic calculation on a model type-II semiconductor heterostructure we predict the optimal conditions for controlling multiexciton generation efficiencies at twice the band gap energy. For a finite band offset, this requires a sharp interface along with a reduction of the exciton cooling and may enable a route for breaking the Shockley–Queisser limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗