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At least 91 records · Page 5

Dissolution of Mg-enriched defects in implanted GaN and increased p-type dopant activation

Annealing Mg-implanted homoepitaxial GaN at temperatures above 1400 °C eliminates the formation of inversion domains and leads to improved dopant activation efficiency. Extended defects, in the form of inversion domains, contain electrically inactive Mg after post-implantation annealing at temperatures as high as 1300 °C (one GPa N 2 overpressure), which results in a low dopant activation efficiency. Triple-axis x-ray data reveal that implant-induced strain is fully relieved after annealing at 1300 °C for 10 min, indicating that strain-inducing point defects formed during implantation have reconfigured and inversion domains are formed. However, annealing at temperatures of 1400–1500 °C (one GPa N 2 overpressure) eliminates the presence of the inversion domains. While residual defects, such as dislocation loops, still exist after annealing at and above 1400 °C, chemical analysis at multiple dislocation loops shows no sign of Mg segregation. Meanwhile, an overall decreasing trend in the dislocation loop density is observed after annealing at the higher temperatures and longer times. Additionally, once inversion domains are formed and the samples are cooled to room temperature, they are shown to dissolve with subsequent annealing above 1400 °C. While such defects have been observed before, the important finding that such defects can be dissolved with a short, higher temperature step is key. Earlier work [Breckenridge et al., J. Appl. Phys. Lett. 118, 022101 (2021)] addressing electrical measurements of these types of samples showed that annealing at 1400 °C leads to a dopant activation efficiency that is an order of magnitude higher than that observed at 1300 °C. In conclusion, this work complements earlier work by identifying the inversion domains, which incorporate Mg, and points to the benefits, in terms of defect density and p-type dopant activation, of using higher temperature (>1400 °C) annealing cycles to activate Mg in GaN, even if the Mg-containing inversion domains had been formed during lower temperature annealing.

36 MATERIALS SCIENCE↗

Development of a Genome-Scale Metabolic Model of Clostridium thermocellum and Its Applications for Integration of Multi-Omics Datasets and Computational Strain Design

Solving environmental and social challenges such as climate change requires a shift from our current non-renewable manufacturing model to a sustainable bioeconomy. To lower carbon emissions in the production of fuels and chemicals, plant biomass feedstocks can replace petroleum using microorganisms as biocatalysts. The anaerobic thermophile Clostridium thermocellum is a promising bacterium for bioconversion due to its capability to efficiently degrade lignocellulosic biomass. However, the complex metabolism of C. thermocellum is not fully understood, hindering metabolic engineering to achieve high titers, rates, and yields of targeted molecules. In this study, we developed an updated genome-scale metabolic model of C. thermocellum that accounts for recent metabolic findings, has improved prediction accuracy, and is standard-conformant to ensure easy reproducibility. We illustrated two applications of the developed model. We first formulated a multi-omics integration protocol and used it to understand redox metabolism and potential bottlenecks in biofuel (e.g., ethanol) production in C. thermocellum. Second, we used the metabolic model to design modular cells for efficient production of alcohols and esters with broad applications as flavors, fragrances, solvents, and fuels. The proposed designs not only feature intuitive push-and-pull metabolic engineering strategies, but also present novel manipulations around important central metabolic branch-points. We anticipate the developed genome-scale metabolic model will provide a useful tool for system analysis of C. thermocellum metabolism to fundamentally understand its physiology and guide metabolic engineering strategies to rapidly generate modular production strains for effective biosynthesis of biofuels and biochemicals from lignocellulosic biomass.

59 BASIC BIOLOGICAL SCIENCES↗

Performance evaluation of an air conditioning system based on quasi isothermal dehumidifcation

This work presents a first study of novel air conditioning system based on quasi isothermal dehumidification combined with dew-point evaporative cooling through the Maisotsenko cycle (M-Cycle). The dehumidification process is realized in desiccant coated heat exchanger with heat rejection system. The key idea behind the solution is to maximize the cooling effectiveness by creating favourable conditions for dehumidification and evaporative cooling process. This is achieved by rejecting the heat of sorption in the desiccant system and providing cold and dry air for M-Cycle air cooler, which allows the system to be powered by using low-grade heat energy at 50 °C. The analysis is performed on the basis of experimentally validated numerical models of each component combined in a unified model of the system. The goal of the study is to determine the performance of the solution under different operational conditions. In addition two types of M-Cycle air coolers (i.e. cross-flow and regenerative unit) are compared to establish which unit is more suitable as the source of cooling energy for the system. It was established that proposed system is able to provide comfortable room parameters (supply air temperature equal 17 °C and humidity ratio equal 0.010 kg/kg-da) for outdoor air temperatures ranging from 28 to 36 °C and outdoor air humidity ranging from 0.010 to 0.018 kg/kg-da. This means that the proposed solution is able to provide comfortable conditions in temperate and humid climates. Results also indicate that the system consisting of the regenerative M-Cycle HMX allows better cooling load management, offers higher thermal Coefficient of Performance (COP th ) and uses less water compared to the system with the cross-flow HMX. However, the system with cross-flow heat and mass exchanger (HMX) has a relatively greater electrical Coefficient of Performance (COP el ) in most cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Fusing subnational with national climate action is central to decarbonization: the case of the United States

Approaches that root national climate strategies in local actions will be essential for all countries as they develop new nationally determined contributions under the Paris Agreement. The potential impact of climate action from non-national actors in delivering higher global ambition is significant. Sub-national action in the United States provides a test for how such actions can accelerate emissions reductions. We aggregated U.S. state, city, and business commitments within an integrated assessment model to assess how a national climate strategy can be built upon non-state actions. We find that existing commitments alone could reduce emissions 25% below 2005 levels by 2030, and that enhancing actions by these actors could reduce emissions up to 37%. We show how these actions can provide a stepped-up basis for additional federal action to reduce emissions by 49%—consistent with 1.5 °C. Our analysis demonstrates sub-national actions can lead to substantial reductions and support increased national action.

54 ENVIRONMENTAL SCIENCES↗

Measurements of $\pi ^\pm $, $K^\pm $, p and $\bar{p}$ spectra in $^{40}\hbox {Ar+}^{45}\hbox {Sc}$ collisions at 13A to 150A $\text{ Ge }\hspace{-1.00006pt}\text{ V }\!/\!c$

The NA61/SHINE experiment at the CERN Super Proton Synchrotron studies the onset of deconfinement in strongly interacting matter through a beam energy scan of particle production in collisions of nuclei of varied sizes. This paper presents results on inclusive double-differential spectra, transverse momentum and rapidity distributions and mean multiplicities of $\pi ^\pm $, $K^\pm $, p and $\bar{p}$ produced in $^{40}\hbox {Ar+}^{45}\hbox {Sc}$ collisions at beam momenta of 13A, 19A, 30A, 40A, 75A and 150A $\text{ Ge }\hspace{-1.00006pt}\text{ V }\!/\!c$. The analysis uses the 10% most central collisions, where the observed forward energy defines centrality. The energy dependence of the $K^\pm $/$\pi ^\pm $ ratios as well as of inverse slope parameters of the $K^\pm $ transverse mass distributions are placed in between those found in inelastic $p+p$ and central Pb + Pb collisions. The results obtained here establish a system-size dependence of hadron production properties that so far cannot be explained either within statistical or dynamical models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Optimization of gold germanium (Au 0.17 Ge 0.83 ) thin films for high sensitivity resistance thermometry

Gold–germanium (Au x Ge 1–x ) solid solutions have been demonstrated as highly sensitive thin film thermometers for cryogenic applications. However, little is known regarding the performance of the films for thicknesses less than 100 nm. In response, here we report on the resistivity and temperature coefficient of resistance (TCR) for sputtered films with thicknesses ranging from 10 to 100 nm and annealed at temperatures from 22 to 200°C. The analysis is focused upon composition x=0.17, which demonstrates a strong temperature sensitivity over a broad range. The thinnest films are found to provide an enhancement in TCR, which approaches 20% K –1 at 10 K. Furthermore, reduced anneal temperatures are required to crystallize the Ge matrix and achieve a maximum TCR for films of reduced thickness. These features favor the application of ultra-thin films as high-sensitivity, on-device thermometers in micro- and nanolectromechanical systems.

59 BASIC BIOLOGICAL SCIENCES↗

Winners are not keepers: Characterizing household engagement, gains, and energy patterns in demand response using machine learning in the United States

Demand-response programs can help utilities manage rapidly evolving electric grids, but these programs are subject to the complexities of human behavior. This paper explores a novel method for uncovering heterogeneity in households. In this work, we use a machine-learning method known as a Conditional Inference Tree (c-tree) algorithm to categorize households based on their energy behavior characteristics collected via smart meters, and explore how this translates through into heterogeneity in their real-world response to a DR program. Using data from randomized controlled trial, we generate estimates of the changes in energy use caused by the program within each household group. Our results show that the c-tree approach differentiates households by their energy-use characteristics in a way that increases the spread in enrollment rates and critical peak reduction among household groups, compared with the spreads achieved via several conventional segmentation methods. Thus, the c-tree analysis enables the most tailored targeting of major potential energy savers and could provide the greatest increase in cost-effectiveness of household recruitment into DR programs. Our results also offer fresh insights into the relationships between household energy behavior characteristics – such as peak energy use and “structural winningness” (the ability to save money under a DR program without changing energy-use behaviors) – and household decisions about enrolling in DR programs and reducing energy use. Our research also demonstrates the potential of smart meter data, combined with machine learning and econometric methods, to provide significant value to utilities, program implementers, researchers, and other stakeholders.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Determination of Biogenic Content by 14 C in fuels using Liquid Scintillation Analysis Laboratory Analytical Procedure (Laboratory Analytical Procedure)

This procedure covers the determination of the percent 14 C in biogenic gasoline, jet fuel, and diesel range hydrocarbons prepared from distillation of hydrotreated pyrolysis oils and blended with fossil derived hydrocarbons (e.g. fossil diesel, gasoline, jet, or toluene). Either an internal 14C standard or a color quench curve is used to correct for potential signal quenching effects. Recent publications provide some background of direct LSC methods used for determination of biogenic fuel content.

02 PETROLEUM↗

Storage and persistence of organic carbon in the upper three meters of soil under arable and native prairie land use

Aims: Land use change from native grasslands to arable lands globally impacts soil ecosystem functions, including the storage of soil organic carbon (SOC). Understanding the factors affecting SOC changes in topsoil and subsoil due to land use is crucial for effective mitigation strategies. We determined SOC storage and persistence as affected by land use change from native prairies to arable lands. Methods: Here we examined SOC stocks, soil δ 13 C and Δ 14 C signatures, microbial communities (bacteria and fungi), and soil mineral characteristics under native prairies and long-term arable lands (i.e., > 40 years) down to 3 m in the U.S. Midwest. Results: Native prairie soils had higher SOC stocks in the A horizon and 0–50 cm depth increment than arable soils. For both land use types, the δ 13 C and Δ 14 C values significantly decreased with depth, with the latter pointing towards highly stabilized SOC, especially in the B- and C-horizons. Analysis of the microbial communities indicated that the diversity of bacteria and fungi decreased with increasing soil depth. The content of oxalate soluble Al appeared to be the single most important predictor of SOC across horizons and land use types. Conclusion: Our data suggest that most SOC gains and losses and transformation and translocation processes seem to be restricted to the uppermost 50 cm. Increasing SOC retention in the A and B horizons within the 0–50 cm depth would enhance organic material serving as substrate and nutrients for microbes and plants (A horizon) and facilitate long-term SOC storage in the subsoil (B horizon).

54 ENVIRONMENTAL SCIENCES↗

Pushing the Limits: Maximizing Energy Density in Silicon Sulfide Solid‐State Batteries

Here, for the first time, we demonstrate a silicon solid-state battery (SSB) architecture that achieves >400 Wh kg −1 , approaching the theoretical limit for silicon-based SSBs. This configuration features a 99.9 wt% micro-Si, a thin sulfide solid electrolyte (SSE), and a high-loading NMC811. Key to these results is strategically selecting and evaluating the processing techniques, whether wet or dry, for the negative electrode, positive electrode and thin sheet-type SSE. Excessive lithium incorporation into the silicon host, beyond the Li 3.75 +Si phase to form a LiSi composite, is essential to match the high capacity of the positive electrode. This SSB achieves over 1000 cycles for a 2 mAh cm −2 with ≈80% capacity retention and 94% capacity retention for 3 mAh cm −2 over 500 cycles at 25 °C. Post analysis identifies the primary capacity decay mechanisms as oxidation at the NMC/SSE interface and structural disruptions within NMC. Meanwhile, the Si electrode maintains a robust solid-electrolyte interphase layer, minimizing capacity decay. This study highlights the necessity for improved NMC coatings, lattice oxygen stabilization, and a durable positive electrode-electrolyte interface to improve the long-term stability of SSBs. Strategies leading to a single-layer pouch cell SSB exceeding 400 Wh kg −1 are developed.

25 ENERGY STORAGE↗

Simultaneous x-ray and neutron 4D tomographic study of drying-driven hydro-mechanical behavior of cement-based materials at moderate temperatures

The drying of cement-based materials is intimately related to their durability, which has significant economic, social and environmental repercussions. The evolution of the saturation of the pore network and the associated drying shrinkage are in fact leading causes of cracking and of the ensuing penetration of aggressive chemicals. This process is highly heterogeneous, due to the thermo-hydric spatial gradients developing in the material from the exposed surfaces to its core and because of local effects, driven by the intrinsically heterogeneous micro-structure (e.g., by the distribution of pores and aggregates). It follows that macroscopic, sample-scale measurements cannot fully disclose the complexity of the underlying processes. In the last few decades, significant advances in full-field techniques have allowed an unprecedented insight into these local processes. For cement-based materials, x-ray and neutron tomography lend themselves as ideal, and highly complementary, tools for the study of their thermo-hydro-mechanical behavior. Notably, the high sensitivity to density variations of x-ray imaging gives access to the developments of fractures, in 4D (3D + time). On the other hand, neutron tomography allows the study of the evolution of the moisture field in 4D, thanks to its high hydrogen sensitivity. The combination of these two techniques provides a unique insight in thermo-hydro-mechanical couplings, e.g., the effect of cracks on the water content field. This contribution presents novel 5D datasets (3D tomographies along time, plus truly simultaneous x-ray and Neutron rapid acquisitions) in-operando of a cement paste and of a concrete sample heated at moderate temperatures (up to 140{sup ∘}C). The analysis of this 5D data-set (once aligned in time and across modalities) allows for example a quantification of the 4D moisture profiles which were found to predict an overall water loss at hydric equilibrium coherent with the corresponding analytical analysis. In the cement paste sample, the x-ray dataset captures the evolution of an extensive cracking network, opening and propagation toward the core of the sample. A novel analysis procedure is here proposed which allows the extraction of these fractures and the analysis of their interplay with local drying as captured through neutron imaging. This for example reveals the depth of penetration of drying in the vicinity of the fractures along time, which is essential for the assessment and calibration of hydro-mechanical coupled models.

36 MATERIALS SCIENCE↗

Effects of the microalgae Chlamydomonas on gastrointestinal health

The effects of consuming whole-cell biomass of the green algae Chlamydomonas reinhardtii on gastrointestinal health in mice and humans was examined. A 14-day murine model of acute colitis revealed significantly less weight loss in mice that received C. reinhardtii biomass by oral gavage. Based on this result, human volunteers with varying gastrointestinal symptoms were asked to consume 1 or 3 g of C. reinhardtii daily for 30 days. Participants reported changes in their gastrointestinal health through a questionnaire and provided stool samples to analyze the composition of their gut microbiome. Those who typically experience frequent gastrointestinal symptoms reported significantly less bowel discomfort or diarrhea, significantly less gas or bloating, more regular bowel movements, and better stool consistency when regularly consuming C. reinhardtii. Analysis of participant stool samples suggested the gut microbiome composition in all groups remained complex, and no signs of dysbiosis or adverse effect on microbial composition were observed.

60 APPLIED LIFE SCIENCES↗

Improved guided-wave acoustic defect detection and localization in pipes under varying temperature conditions using deep learning

Early defect detection in pipelines is critical across industries, particularly in the oil and gas sector, where failures result in significant maintenance costs and operational disruptions. Acoustic guided-wave techniques are widely used for nondestructive evaluation of pipeline defects due to their long-distance propagation capability. However, environmental variations, sensitivity limitations, and complex signal interpretation challenges limit the effectiveness of traditional signal processing approaches with guided-wave signals. Recent advances in deep learning methods have demonstrated remarkable success in solving complex real-world problems in many fields. In particular, deep-learning-based signal processing holds substantial promise to overcome limitations and challenges of conventional signal processing. This study presents a deep learning framework for pipeline inspection using acoustic guided-wave signals under temperature varying environments. The proposed framework employs a dual-path one-dimensional convolutional autoencoder that combines defect detection, localization, and temperature prediction functions. The proposed system utilizes multi-mode and broadband acoustic waves with an optimized number of sensors that provide high accuracy while retaining practical simplicity. Experimental validation is performed on a carbon steel pipe. The results indicate exceptional defect detection accuracy and precise defect localization with a mean absolute error of 66 mm. The proposed technique also predicts the effective average temperature of the pipe with a mean absolute error of 0.2°C. Comparative analysis shows superior performance of the proposed method over a traditional method previously developed by the authors' team. These results highlight the potential of integrating deep learning methods into guided-wave pipeline inspection systems to improve reliability under varying environmental conditions.

42 ENGINEERING↗

Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy

Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) was used to investigate methanol (CH 3 OH) adsorption and reaction on the GaP(110) surface. Exposure of CH 3 OH to GaP(110) at room temperature led to the formation of at least four different surface species as indicated by analysis of C 1s and O 1s XPS features. By combining AP-XPS data with density functional theory calculations, the surface species were identified as methoxy (CH 3 O*), formaldehyde (CH 2 O*), and paired methanol (p-CH 3 O*H) and methoxy (p-CH 3 O*) species, where “paired” means that they belong to a hydrogen-bonded methoxy-methanol complex. Asterisk * here indicates an adsite. The formation of CH 2 O* via the dehydrogenation of CH 3 O* was shown to be limited by the availability of vacant phosphorus (P) sites on GaP(110). With an increase in CH 3 OH pressure, the fractional coverage of CH 3 O* species reached 0.55, and the surface P sites were completely saturated with hydrogen. Under a constant CH 3 OH pressure of 0.5 Torr, the surface concentration of the paired species and of CH 2 O* remained constant until 400 K. At higher temperatures, thermally driven reactions led to a significant increase in the concentration of surface CH x * species, which suggests that C-O bond cleavage of the CH 3 O group is the dominant decomposition mechanism on GaP(110). In conclusion, based on the reactivity of GaP(110) toward CH 3 OH dehydrogenation, elevated temperatures and CH 3 OH pressures may be used to functionalize this surface.

36 MATERIALS SCIENCE↗

Reactions of U(DMSO) 8 (ClO 4 ) 4 with Terpyridine Yield Dimeric Hydrolysis Products and Induce C–C Coupling

Reactions have been carried out using UIV(DMSO) 8 (ClO 4 ) 4 with 2,2′:6′,2″-terpyridine (terpy) under nonaqueous conditions. At room temperature in acetonitrile, the combination of the U(IV) starting material with terpy resulted in a mixture containing [UO 2 (DMSO) 2 terpy][ClO 4 ] 2 ·MeCN, while increasing the water content led to the hydrolysis products [(UO 2 (DMSO)terpy) 2 (μ 2 –O)][ClO 4 ] 2 and [(UO 2 terpy) 2 (μ 2 –OH) 2 ][ClO 4 ] 2 ·MeCN·H 2 O. Performing the reaction at slightly elevated temperature with no added water led to the formation of [UO 2 sexipyridine][ClO 4 ] 2 ·MeCN. This new uranyl complex contains the hexadentate ligand 2,2′:6′,2″:6″,2″:6‴,2⁗:6⁗,2⁗′-sexipyridine, which formed in situ from the tetravalent uranium starting material, where photoexcited uranyl or in situ generated peroxide could have induced C–C coupling. Analysis of bonding in the dimeric uranyl species via quantum chemical methods revealed a small increase in covalency of the bridging oxo unit and a slightly greater stability compared to the bridging hydroxo compound, which causes a significant shift in the uranyl symmetric stretch in the Raman spectrum. Structural, spectroscopic, and computational comparisons are made across the series of compounds, providing insight into the bonding and reactivity of uranium in nonaqueous media.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sulfonated Aromatic Polypentenamers: Scope of the Acetyl Sulfate Reaction

A precision polymer featuring one phenyl pendant at every fifth carbon on a polyethylene backbone was modified to varying degrees of sulfonation (DS = 33–98%) using acetyl sulfate with standard conditions by varying reaction times (up to 48 h). This soft, homogeneous method allows for evenly distributed phenylsulfonic acid groups with minimal side reactions and results in light brown, transparent materials with glass transition temperatures of 33–78 °C that increase with DS and parent polymer molar mass. The DS was accurately determined through well-resolved 1 H NMR (DSHNMR) signals of the regularly spaced phenyl groups and corroborated by inverse-gated decoupling 13 C NMR analysis. These analyses were compared to a series of other commonly accepted methods for DS determination including titration and elemental analysis (EA). The DS by titration (DS titr ) also increased with reaction time but was consistently lower than those determined by NMR. Significant discrepancies between theoretical and measured sulfur mass were observed for several samples through EA. Qualitative methods, such as infrared spectroscopy and thermal analyses, were also performed and correlated well with the DS determined by NMR. Here, this study presents a promising method to achieve a complete scope of homogeneous sulfonation from mild reaction conditions and presents a case to determine DS through multiple methods, with spectroscopic analyses, such as NMR, being potentially the most valuable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Contemporary income inequality outweighs historic redlining in shaping intra-urban heat disparities in Los Angeles

The roots of intra-urban heat disparity in the U.S. often trace back to historical discriminatory practices, such as redlining, which categorized neighborhoods by race or ethnicity. In this study, we compare the relative impacts of historic redlining and current income inequality on thermal disparities in Los Angeles. A key innovation of our work is the use of land surface temperature data from the ECOSTRESS instrument aboard the International Space Station, enabling us to capture diurnal trends in urban thermal disparities. Our findings reveal that present-day income inequality is a stronger predictor of heat burden than the legacy of redlining. Additionally, land surface temperature disparities exhibit a seasonal hysteresis effect, intensifying during extreme heat events by 5−7 °C. Sociodemographic analysis highlights that African-American and Hispanic populations in historically and economically disadvantaged areas are often the most vulnerable. Our findings suggest that while the legacy of redlining may persist, the present-day heat disparities are not necessarily an immutable inheritance, where targeted investments and interventions can pave the way for a more thermally just future for these communities.

54 ENVIRONMENTAL SCIENCES↗

Toward the performance assessment of advanced nuclear waste forms: temperature dependence of lanthanide borosilicate glass dissolution

Lanthanide borosilicate (LaBS) glasses are among the most promising waste forms for the immobilization of high-level radioactive waste generated from advanced nuclear fuel cycles. However, the temperature dependence of their dissolution kinetics remains poorly understood and constrained, limiting the integration of these materials into established performance assessment models. Here, we investigate the dissolution behavior of the legacy AmCm2-19 LaBS glass and the benchmark alkali aluminoborosilicate ISG-1 in deionized water between 50 °C and 250 °C using ASTM C1285 (Product Consistency Test-B) protocols. For AmCm2-19 LaBS glass, normalized elemental release rates for boron and silicon increase with temperature before plateauing near 150 °C, consistent with solubility-limited behavior. From data obtained at 50 °C and 100 °C, Arrhenius analysis yields activation energies of E a (B) = 24.8 ± 0.3 kJ mol⁻¹ and E a (Si) = 14.4 ± 0.2 kJ mol⁻¹, similar or slightly lower than those previously reported for two other compositions of LaBS glasses. No secondary phases or alteration layers were detected by SEM-EDX or pXRD. These results establish one of the first temperature-dependent kinetic datasets for LaBS glass dissolution, providing quantitative parameters to inform mechanistic corrosion models and predictive simulations of glass degradation in geological disposal environments.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗