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At least 667 records · Page 37

Redshift Evolution of the Feedback–Cooling Equilibrium in the Core of 48 SPT Galaxy Clusters: A Joint Chandra–SPT–ATCA Analysis

We analyze the cooling and feedback properties of 48 galaxy clusters at redshifts 0.4 < z < 1.3 selected from the South Pole Telescope (SPT) catalogs to evolve like the progenitors of massive and well-studied systems at z ~ 0. We estimate the radio power at the brightest cluster galaxy (BCG) location of each cluster from an analysis of Australia Telescope Compact Array data. Assuming that the scaling relation between the radio power and active galactic nucleus (AGN) cavity power P cav observed at low redshift does not evolve with redshift, we use these measurements in order to estimate the expected AGN cavity power in the core of each system. We estimate the X-ray luminosity within the cooling radius L cool of each cluster from a joint analysis of the available Chandra X-ray and SPT Sunyaev–Zel'dovich (SZ) data. This allows us to characterize the redshift evolution of the P cav /L cool ratio. When combined with low-redshift results, these constraints enable investigations of the properties of the feedback–cooling cycle across 9 Gyr of cluster growth. We model the redshift evolution of this ratio measured for cool-core clusters by a log-normal distribution Log-N (α + βz, σ 2 ) and constrain the slope of the mean evolution to β = -0.05 ± 0.47. This analysis improves the constraints on the slope of this relation by a factor of two. We find no evidence of redshift evolution of the feedback–cooling equilibrium in these clusters, which suggests that the onset of radio-mode feedback took place at an early stage of cluster formation. High values of P cav /L cool are found at the BCG location of noncool-core clusters, which might suggest that the timescales of the AGN feedback cycle and the cool core–noncool core transition are different. This work demonstrates that the joint analysis of radio, SZ, and X-ray data solidifies the investigation of AGN feedback at high redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗

Grid Value Analysis of Geothermal Systems for End-Use Applications

Fuel based end-uses for residential, commercial, and industrial consumers require a technology change to achieve economy-wide decarbonization. Space heating accounts for 42% of residential and 32% of commercial energy demand, much of which is currently met through carbon emitting fuels. Industrial energy use is heavily fuel based with electricity currently representing 13% of energy demand. Geothermal heat pumps (GHPs) and geothermal direct use can eliminate the need for CO2 emitting and simultaneously allow for more efficient electrification of end uses. Past work has assessed the impact on total energy costs and generation investments but did not identify specific grid services benefited. Energy usage in residential and commercial structures was assessed by leveraging data from ComStock and ResStock models. These models utilize housing attributes, occupancy patterns, weather data, and sophisticated energy simulations to generate hourly load profiles for individual buildings identified by unique IDs associated with their locations. Industrial sector energy use was evaluated using information from the Manufacturing Energy Consumption Survey (MECS) as well as plant utilization data from the US Census to estimate hourly plant operations. The change in end-use demand for electricity, natural gas, and other fuels was calculated for different technologies that could meet this need. Using the ReEDS capacity expansion model, we produce regional price profiles that capture the grid benefit associated with the amount and timing of energy shifts in the power system from the adoption of geothermal systems relative to other technologies that could meet space heating, space cooling, and process heat requirements. We find that geothermal systems for meeting end-use demand add value to the energy system. In buildings where geothermal systems increase grid costs, these values are offset by reduced fuel costs and benefits to externalities, including emissions and health impacts.

decarbonization↗

Wood Decomposition: Understanding Processes Regulating Carbon Transfer to Soil Carbon Pools Using FACE Wood at Multiple Scales

Dead wood comprises approximately 20% of forest biomass. While it is widely recognized for its role in ecosystem functions relative to habitat and nutrient cycling, there are considerable uncertainties associated with its role in the forest carbon (C) cycle. The principal uncertainty is whether dead wood contributes to the soil C pool. With little supporting evidence, the presumption is that C in wood is respired back to the atmosphere through decomposition processes. The inability to attribute forest soil C to its source components has been a barrier to addressing this important forest carbon cycle question. The U.S. Dept. of Energy’s Free Air CO 2 Enrichment (FACE) experiment produced wood that has a distinct δ 13 C signature that can be used to trace its fate through organic matter decomposition processes. Using two hardwood species (aspen, birch) from the Rhinelander FACE site and pine from the Duke FACE site, the FACE Wood Decomposition Experiment (FWDE) was established in 2011 to provide the foundation for addressing wood decomposition and its associated processes at the continental scale. Plots were installed on nine experimental forests representing a range in bioclimatic forest conditions within the continental U.S. Each identical plot has logs of the three species incubating on the soil surface and pine logs suspended in the air, representing standing dead wood. Abiotic conditions are monitored continuously, and soil and forest conditions characterized. Logs on the sites have been measured every two years to assess decay. This project was initiated in 2016 with specific objectives to: (a) determine whether dead wood C contributes to the soil C pool, (b) assess the fungal community composition mediating the decay, (c) assess the interactions of termites with microbial decay, and (d) develop a mechanistic model to simulate wood decomposition. The principal field sampling was conducted in 2017; correspondingly, the results reported here represent six years of decomposition. Wood decomposition varied from 13 to 75 % loss across the bioclimatic gradient. Sites in the southeastern U.S. coastal plain and piedmont had fastest decomposition rates for each of the species. In contrast sites in the Rocky Mountains had the slowest decay rates, which were associated with cold temperatures. Standing deadwood decomposes at a much slower rate than logs on the soil surface; a response due to differences in wood moisture content. Wood carbon was measured in the mineral soil across each of the sites; accordingly, this is the first study to affirm that a portion of the wood C does become part of the soil C pool. Averaged across the FWDE sites, approximately 1.4% of the soil C in the upper 10 cm of the mineral soil directly beneath the log was derived from the deadwood; within 50 cm of the log, wood C accounted for an average of 2.1%. These results demonstrate that the contribution of deadwood to the soil C pool is a soil volume surrounding the log; and it’s likely a larger volume than what we sampled. We also hypothesized that there would be more wood C in the mineral soil when termites were present. However, that hypothesis wasn’t supported by measurements on the Santee Experimental Forest termite exclusion (SEF-TX) plots under FACE logs that incubated for 6 years. Across all the sites, the majority of the wood C was transferred to the atmosphere. Approximately 7,000 fungal species were sequenced. The fungal communities were different among each of the sites suggesting local colonization; interestingly, within sites the three species also exhibited differences in fungal community composition. White rot was the dominant fungal form in pine and hardwood, which yields less lignin in the wood residue. Brown rot occurred in approximately 20% of the pine and aspen logs, and it did not occur in birch logs. The occurrence of brown rot was only weakly correlated to site factors. We conducted two additional experiments to assess the effects of termites on wood decomposition and the associated interactions with the fungal community. Pine and birch logs were incubated on the Santee Experimental Forest termite exclusion plots in upland and riparian settings. There was no difference in decay between areas where termites were able colonize and plots where they had been excluded. Highly variable foraging by termites was a primary contributor the result. Correspondingly, fungal communities did not vary on logs incubated among the two treatments, but they did reflect site and species differences. The second experiment was conducted on each of the nine FWDE sites where pine and birch wood blocks were incubated for two years with and without a wrapping designed to exclude termites and other arthropods. The effects of termites on wood decomposition could be confirmed on two of the four sites known to have subterranean termites. On the two southeastern sites, termites contributed approximately 8% to mass loss in pine blocks over two years. A major factor clouding the role of termites in wood decomposition is the inability to assess the time, duration, and intensity of the foraging with the logs. Another uncertainty is related to whether a piece of wood will be foraged. A process-based wood decomposition model was developed representing biological processes mediated by fungi, bacteria, termites, beetles, as well as physical and chemical processes. The Coarse Wood Decomposition Model (CWDM) was parameterized based on a thorough review of the literature and it was validated using data from the FWDE. In the initial setup, the model considers softwoods and hardwoods groups, as opposed to individual species. Sensitivity analyses incorporating climate data from 89 locations in North America demonstrated that CWDM was stable from the tropics to the boreal zone. Model calibration and validation showed it to perform very well. The CWDM is poised for additional testing with subsequent FWDE data as well as other data sets, and it is available for incorporation into forest biogeochemical models or DOEs Earth System Modeling framework.

54 ENVIRONMENTAL SCIENCES↗

Microseismic at HFTS2: A Story of Three Stimulated Wells

A microseismic data set was acquired at Hydraulic Fracturing Test Site 2 (HFTS2) in the Delaware Basin (Texas, USA) by the HFTS2 consortium as a part of data-collection program designed to help maximize the efficiency of hydraulic fracturing, understand the impacts of nearby depleted zones, and increase the production of hydrocarbons. Advanced methods of microseismic monitoring applied at HFTS2 include 1) native synchronization of five monitor arrays, 2) real-time location of microseismic events, 3) joint event hypocenter/ velocity-model inversion that locates microseismic events simultaneously with constructing azimuthally anisotropic velocity models, 4) high-resolution reservoir imaging, utilizing microseismic events as downhole sources. HFTS2 microseismic data set illustrated the influence of geologic complexity, variations in treatment designs, and the presence of parent wells on the efficiency of hydraulic fracturing. Three Wolfcamp wells, Boxwood 1H, 2H, and 4H, were stimulated sequentially, exhibiting very different patterns of microseismicity. When the Boxwood 1H well is stimulated, its toe stages quickly reacted to the presence of depleted Bitterroot section to the east of the Boxwood pad, extending microseismic events over 3,000 ft to the east. This behavior changes dramatically after the treatment passes the Bitterroot section at the toe, and the heel stages in 1H showed tight microseismic grouping around the stimulated well, indicative of treatment of virgin reservoir rock. The Boxwood 2H demonstrates this same pattern of behavior between the toe and heel stages of the well, suggesting that the depleted Bitterroot section remains easier to refracture than adjacent non-depleted rock. Microseismic activity associated with Boxwood 4H treatment is distinctly different from those in Boxwood wells 1H and 2H. The events generated during stimulation of 4H are hardly influenced by the depleted Bitterroot section and fill the space between the previously stimulated 1H and 2H wells. Altogether, microseismic patterns suggest that treatment fluids tend to find the weakest passages through geologic formations, and the relative well positions and treatment sequence have a significant impact on fracture geometry, as indicated by microseismic event locations.

58 GEOSCIENCES↗

An Analysis of the Impact of Particle Growth on Transport Losses in Polymer-Electrolyte Fuel Cells

Voltage cycling causes catalyst nanoparticles in polymer-electrolyte fuel cells to grow. The concomitant loss of interfacial area results in larger kinetic, transport, and possibly ohmic overpotentials. This paper uses recently published experimental data and mathematical models to investigate the evolutions of transport and ohmic resistances to platinum nanoparticles located on the surface and inside the micropores of carbon black supports. Resistance to oxygen transport rises as surface area declines primarily because the flux to each remaining larger platinum particle increases. The path lengths governing oxygen diffusion to surface and buried platinum sites also increase as nanoparticles grow. Platinum nanoparticles on the surface become relatively less favorable as voltage cycling proceeds because they grow faster than platinum in micropores. Because voltage cycling causes total interfacial area to decline, and the fraction located inside micropores to increase, nanoscale ohmic losses increase as a catalyst layer decays. The practical importance of this effect is difficult to discern because proton conductivity in carbon micropores is not well characterized.

07 ISOTOPE AND RADIATION SOURCES↗

Fiber optic system for direct detection of CO2 leakage in carbon storage wells

The feasibility study focused on the development of new fiber for distributed chemical sensing (DCS) that will allow direct detection of CO 2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), to provide early warning for an incoming well failure and potential CO 2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with standard solid core fibers and Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously by means of reflectometry. The methodology would overcome current roadblocks to using fiber optics for CO 2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure as the baseline of environment background.

25 ENERGY STORAGE↗

Feasibility of using distribute chemical sensing for CO2 leakage monitoring

The feasibility study focused on the development of new fiber for distributed chemical sensing (DCS) that will allow direct detection of CO 2 leakages in the environment. This is particularly important for monitoring well integrity for carbon capture and storage (CSS), to provide early warning for an incoming well failure and potential CO 2 leaking through it. We proposed Raman or IR interrogation within gas-filled Holey Fibers (HoFs) interleaved with standard solid core fibers and Fiber Bragg Grating (FBG) sections, so that the location and concentration of the gases would be provided simultaneously by means of reflectometry. The methodology would overcome current roadblocks to using fiber optics for CO 2 (and other gases) detection in wells with direct in-situ measurements of concentration along with other important parameters such as temperature and pressure as the baseline of environment background.

54 ENVIRONMENTAL SCIENCES↗

Development of an In-Situ Method for Cable Condition Monitoring in Nuclear Power Plants (SBIR Phase IIB Final Report)

This is the final report of a Small Business Innovation Research (SBIR) project that Analysis and Measurement Services Corporation (AMS) has conducted for the U.S. Department of Energy (DOE) over a seven-and-a-half year period (February 2013 through April 2020 with the awards of Phase I, Phase II and Phase IIB projects). The goal of the project was to design, develop, validate, and demonstrate a technique for in-situ testing of cable insulation polymers that will identify, locate, and provide the degree of aging for cables commonly used in nuclear power plants. During the Phase I project, AMS established that the frequency domain reflectometry (FDR) technique can successfully identify and measure cable insulation degradation that can be trended with aging. In Phase II, AMS performed extensive cable aging studies to correlate FDR measurements with other laboratory condition monitoring techniques and developed aging condition categories to quantify the severity of insulation degradation. In Phase IIB, the project expanded the research to include a wider variety of cable polymers that are used in the commercial nuclear power industry. This work also involved developing acceptance criteria to objectively assess age-related cable degradation while sharing the results of this research with industry, academia, and national laboratories to advance the state of the art in cable aging management technologies. The products developed under this research project provide the nuclear industry with an effective condition monitoring tool to support safe and long-term plant operation. Throughout the project, collaborations and support were received from a variety of industry organizations and individuals including DOE National Laboratories as well as nuclear plant utilities and several other industry experts and cable manufacturers. Contributions from these organizations included the donation of new cables, naturally aged cables, and research collaboration. The validation and commercialization of the products of this project were achieved through opportunities to test and demonstrate the technologies’ capabilities on-site at nuclear power generation and research facilities as well as in the laboratory alongside industry peers and cable testing service companies. The research resulted in a technology that can be used to identify, locate, and quantify age-related degradation in several types of cable polymers. This included developing software and hardware as well as the methodology for using the FDR technique to assess age-related degradation of installed cables. The technology developed under this project can provide nuclear plant management, engineers, and technicians with an in-situ electrical test method to determine if in-service cables need to be replaced, monitored on a periodic basis, or show no evidence of significant age-related degradation that may require action. Near the end of this Phase IIB project, the FDR product was sold to a nuclear power utility in South Korea. This sale of a dedicated aging assessment tool is the beginning of a comprehensive contract with the expectation of twelve (12) units sold to that country. Additionally, the FDR technology has been sold to several industry organizations including a nuclear research institute and the Diablo Canyon nuclear power plant. This technology is also being leased by other nuclear industry service companies for incorporation into aging management programs. The cable testing technology that was developed under this project was also integrated into a comprehensive cable aging assessment service that is being offered to the nuclear industry at the request of U.S. nuclear utilities and is currently part of onsite testing services provided by AMS.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Systems and methods for locating and imaging proppant in an induced fracture

Born Scattering Inversion (BSI) systems and methods are disclosed. A BSI system may be incorporated in a well system for accessing natural gas, oil and geothermal reserves in a geologic formation beneath the surface of the Earth. The BSI system may be used to generate a three-dimensional image of a proppant-filled hydraulically-induced fracture in the geologic formation. The BSI system may include computing equipment and sensors for measuring electromagnetic fields in the vicinity of the fracture before and after the fracture is generated, adjusting the parameters of a first Born approximation model of a scattered component of the surface electromagnetic fields using the measured electromagnetic fields, and generating the image of the proppant-filled fracture using the adjusted parameters.

03 NATURAL GAS↗

Systems and methods for locating and imaging proppant in an induced fracture

Born Scattering Inversion (BSI) systems and methods are disclosed. A BSI system may be incorporated in a well system for accessing natural gas, oil and geothermal reserves in a geologic formation beneath the surface of the Earth. The BSI system may be used to generate a three-dimensional image of a proppant-filled hydraulically-induced fracture in the geologic formation. The BSI system may include computing equipment and sensors for measuring electromagnetic fields in the vicinity of the fracture before and after the fracture is generated, adjusting the parameters of a first Born approximation model of a scattered component of the surface electromagnetic fields using the measured electromagnetic fields, and generating the image of the proppant-filled fracture using the adjusted parameters.

Aldridge, David F.↗

Studies of Alternative Ventilation Configurations to Mitigate Airborne Exposure Risks in Office Spaces

The objective of this study was to evaluate the impact of alternative ventilation configurations on airflow patterns and potential exposure risks in office spaces. Two existing conference rooms at Sandia NM were modeled using Computational Fluid Dynamics (CFD) simulations to characterize airflow patterns and potential airborne exposure risks in well-mixed and once-through (through-flow) ventilation conditions. Multiple scenarios were studied to evaluate the impact of occupancy, Plexiglass barriers, and a modified-return airflow configuration. Experimental and visualization tests were also conducted to validate the well-mixed and through-flow models and findings. The simulations demonstrated that the modified-return airflow configuration that promoted through-flow conditions reduced pathogen concentrations within the space compared to the well-mixed airflow configuration; occupancy reduction only reduced the number of exposed individuals, and Plexiglass barriers had almost no effect. The experimentally measured air speeds at nine anemometer locations generally matched the simulated airflow velocities, and a fog-purge visualization test was also consistent with simulated results of plume movement and dissipation. The visualization tests demonstrated improvements in air change rate with the modified return, which promoted through-flow conditions, versus the original well-mixed ventilation configuration. The results of this study demonstrate that minor modifications to a space that promote through-flow conditions can improve air quality and reduce pathogen concentrations. Additional airflow modeling and testing of alternative occupied space configurations are recommended to further inform room designs that mitigate airborne exposure risks for occupants.

42 ENGINEERING↗

Dated soil C–N–P profiles, water quality, and chamber fluxes across Ohio and Michigan wetlands (2024–2025)

This dataset includes dated soil core chemistry (bulk density, phosphorus, nitrogen and carbon concentrations), water quality, and chamber flux measurements collected from wetlands in the Midwest United States—12 sites in Ohio, one site in Indiana, one site in Michigan—collected in the spring or summer of 2024 or 2025, all in (.csv) format. These data were generated to examine how wetland restoration, management activities, and time since restoration affect biogeochemical processes, carbon sequestration, nutrient accumulation, water quality, and greenhouse gas emissions. Specifically, these data aim to investigate how restored wetlands differ from natural wetlands in terms of carbon, nitrogen, phosphorus dynamics, as well as carbon dioxide and methane fluxes. Also included are surface and porewater quality parameters and chamber flux measurements across these different wetlands. Sampling was conducted at various sites representing a range of restoration stages, from about 4 years post-restoration up to 105 years post-restoration, and also includes a natural wetland used as a reference in Michigan. These data can be used to determine carbon sequestration rates, nutrient cycling, and to enhance our understanding of biogeochemical responses to wetland restoration in temperate ecosystems. This data package contains (1) a csv file (Water_Quality.csv) containing water quality data (dissolved organic carbon, total dissolved nitrogen, and temperature) organized by location; (2) a csv file (Soil_C_N_P_Seq.csv) containing carbon, nitrogen, and phosphorus concentrations at each soil level and time of each soil level, as well as their sequestration rates; (3) a csv file (CH4_CO2_Flux.csv) including methane and carbon dioxide fluxes that were measured with a chamber; (4) a file-level metadata (FLMD.csv) file that lists each file contained in the dataset with associated metadata; (5) a data dictionary (DD.csv) file that contains terms/column headers used throughout the files along with a definition, units, and data type; and (6) a locations metadata file (Location_metadata.csv).

Earth Science > Atmosphere > Atmospheric Chemistry↗

ARETE: Accurate Error Assessment via Machine Learning-Guided Dynamic-Timing Analysis

Nanometer circuits are increasingly prone to timing errors, escalating the need for fault injection frameworks to accurately evaluate their impact on applications. Here in this paper, we propose ARETE, a novel cross-layer, fault-injection framework that combines dynamic-binary instrumentation with machine learning-guided dynamic-timing analysis. ARETE enables accurate fault-injection into any application by estimating the location of the injecting errors via dynamic-timing analysis. To accelerate fault-injection, we develop a novel, data-aware, machine learning-based mechanism that dynamically pre-selects the error-prone instructions and limits the application of the costly dynamic-timing analysis only to them. To evaluate ARETE's accuracy, our fully automated toolflow is configured to support fault-injection based on detailed post-layout gate-level simulations as well as via existing workload-agnostic error models. Our results for various workloads, including an autonomous-driving library, show that the location and time of injected errors performed by ARETE, is 89.9% consistent with fault-injection based on full gate-level simulation. On average, ARETE executes 84.6x faster than gate-level simulation and at a cost of 3.4% loss in the program output quality estimation. When compared to the existing statistical fault-injection tools that are based on workload-agnostic error models, ARETE improves the accuracy of fault-injection rate and output quality estimation by 143.9% and 40.4% on average, respectively.

97 MATHEMATICS AND COMPUTING↗

Influence of Photovoltaic Shading on Rooftop Heat Transfer, Building Energy Loads, and Photovoltaic Power Output

Photovoltaic (PV) modules on building rooftops provide shade from summer heating, leading to a reduction in cooling load during hot seasons. However, PV shading also reduces passive solar heating during winter months, leading to an increase in the building heating load during cold seasons. In this study, the heat transfer performance of an enclosure formed by adjacent PV modules is analyzed for three locations in the United States, comparing the daily heat flux through rooftops for the case of a PV-shaded rooftop as well as an unshaded roof. Several result metrics are developed as part of this work, including the saved energy load (SEL), or the energy conserved by adding PV-shading to the rooftop, and the additional energy load (AEL), or the supplemental building energy required to replace shaded solar heating. Lastly, this work calculates the utility factor, being the ratio of SEL and PV power output to AEL as a metric of PV effectiveness. SELs are 5.2, 6.2, and 11.7 kWh/m 2 · year for Dayton, Boise, and Phoenix, respectively, while the AELs for the same locations are 1.6, 1.5, and 2.1 kWh/m 2 · year. The utility factors for the same three locations are 61, 71, and 79. In general, locations with hot, non-cloudy summers and clear skies in winter see the largest utility factor. Further, it is shown that PV shading can conserve building energy during the winter months by preventing radiative losses to cold winter skies.

13 HYDRO ENERGY↗

An infrasound source analysis of the OSIRIS-REx sample return capsule hypersonic re-entry

The OSIRIS-REx sample return capsule's hypersonic re-entry into the atmosphere is a rare opportunity to test a variety of sonic boom source models since the projectile dimensions are well characterized. While the as-flown flight path is unknown, the predicted flight path enables a rough approximation of the source Mach number and location. Six infrasound microphones deployed in the boom carpet along the predicted flight path recorded impulsive signals from the OSIRIS-REx re-entry. Using a suite of atmosphere profiles and the geometric acoustics approximation, we estimate locations with uncertainty estimates along the flight path from which the signals were emitted. Acoustic overpressure and signal duration predictions from Whitham's far field theory, Carlson's simplified sonic boom prediction method, and a drag-dominated hypersonic model are analyzed with uncertainty estimates from the location estimate. While the Carlson simplified sonic boom prediction method could be accurate, our preference is for the drag-dominated source model. Using this source model with an inviscid Burgers's equation solver for propagation, we obtained an excellent match to the recorded data. In conclusion, these results will help better inform future sample return capsule re-entry observation campaigns as well as contribute to a better understanding of high altitude infrasonic sources.

58 GEOSCIENCES↗

Synthesis of Pyrimidine Modified Seleno–DNA as a Novel Approach to Antisense Candidate

Chemically modified antisense oligonucleotides (ASO) currently in pre–clinical and clinical experiments mainly focus on the 2’–position derivatizations to enhance stability and targeting affinity. Considering the possible incompatibility of 2’–modifications with RNase H stimulation and activity, we have hypothesized that the atom specific modifications on nucleobases can retain the complex structure and RNase H activity, while enhancing ASO's binding affinity, specificity, and stability against nucleases. Herein we report a novel strategy to explore our hypothesis by synthesizing the deoxynucleoside phosphoramidite building block with the seleno–modification at 5–position of thymidine, as well as its Se–oligonucleotides. Via X–ray crystal structural study, we found that the Se–modification was located in the major groove of nucleic acid duplex and didn't cause the thermal and structural perturbations. Surprisingly, our nucleobase–modified Se–DNAs were exceptionally resistant to nuclease digestion, while compatible with RNase H activity. In conclusion, this affords a novel avenue for potential anti–sense modification in the form of Se–antisense oligonucleotides (Se–ASO).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

FIRM: federated image reconstruction using multimodal tomographic data

Here, we propose a federated algorithm for reconstructing images using multimodal tomographic data sourced from dispersed locations, addressing the challenges of traditional unimodal approaches that are prone to noise and reduced image quality, as well as the limitations of centralized multimodal approaches that require extensive data transfer, leading to significant communication overhead, storage demands, and potential data privacy concerns. Our approach formulates a joint inverse optimization problem incorporating multimodality constraints and solves it in a federated framework through local gradient computations complemented by lightweight central operations, thereby ensuring data decentralization. Leveraging the connection between our federated algorithm and the quadratic penalty method, we introduce an adaptive step-size rule with guaranteed sublinear convergence. Numerical results demonstrate superior computational efficiency and improved image reconstruction quality compared to existing approaches.

federated algorithm↗

Phase-field modeling of solid-state metathesis reactions with the charge neutrality constraint

In this work, we present a phase-field model that captures the evolution of ionic concentrations and phase fractions during solid-state metathesis (SSM) reactions where diffusion limits the rate of transformation. The evolution of the mole fraction of each ion is obtained via governing equations that describe the reduction of a free energy, which includes an energy landscape with local minima located at compositions corresponding to stable products. We utilized two Lagrange multipliers to impose constraints of electroneutrality as well as on the sum of mole fractions, which were then eliminated to derive set of two partial differential equations that describe the dynamics of the mole fraction evolution. From these governing equations, the expressions for effective mobilities for the cations and the anions were obtained. We first study the effect of mobilities of ions on the reaction kinetics, using a simple model considering the ions with an identical absolute value of charge numbers. The simulation results show that the overall characteristic mobility, defined as the sum of the two effective ionic mobilities, provides an excellent measure of the rate at which reaction progresses and that the ratio of the effective mobilities of the anions and the cations signifies the manner by which the reaction progresses. We then generalize the model to consider ions with different charge numbers and tuned the mobility of ions based on their diffusion coefficients reported in the literature and experimental data from a thin-film experiment for the synthesis of FeS 2 to demonstrate the capability of the model to predict the phase evolution during SSM reactions. In particular, the simulation predicts nonplanar phase evolution, which is recently observed in thin-film reactions for the synthesis of FeS 2 via transmission electron microscopy. The approach can serve as a basis for models for phase transformations in other multiphase ionic mixtures, such as in all-solid-state batteries and in ionic liquids.

36 MATERIALS SCIENCE↗