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At least 1,189 records · Page 66

Measurement of ν ¯ μ charged-current single π - production on hydrocarbon in the few-GeV region using MINERvA

The antineutrino scattering channel $\bar{\nu}_{\mu} \,\text{CH} \rightarrow \mu^{+} \,\pi^{-} \,X$(nucleon(s)) is analyzed in the incident energy range 1.5 to 10 GeV using the MINERvA detector at Fermilab. Differential cross sections are reported as functions of $\mu^{+}$ momentum and production angle, $\pi^{-}$ kinetic energy and production angle, and antineutrino energy and squared four-momentum transfer. Distribution shapes are generally reproduced by simulations based on the GENIE, NuWro, and GiBUU event generators, however GENIE (GiBUU) overestimates (underestimates) the cross-section normalizations by 8% (10%). Comparisons of data with the GENIE-based reference simulation probe conventional treatments of cross sections and pion intranuclear rescattering. The distribution of non-track vertex energy is used to decompose the signal sample into reaction categories, and cross sections are determined for the exclusive reactions $\mu^{+} \pi^{-} n$ and $ \mu^+ \pi^{-} p$. A similar treatment applied to the published MINERvA sample $\bar{\nu}_{\mu} \,\text{CH} \rightarrow \mu^{+} \,\pi^{0} \,X$(nucleon(s)) has determined the $\mu^{+} \pi^{0} n$ cross section, and the latter is used with $\sigma(\pi^{-} n)$ and $\sigma(\pi^{-} p)$ to carry out an isospin decomposition of $\bar{\nu}_{\mu}$-induced CC($\pi$). The ratio of magnitudes and relative phase for isospin amplitudes $A_{3}$ and $A_{1}$ thereby obtained are: $R^{\bar{\nu}} = 0.99 \pm 0.19$ and $\phi^{\bar{\nu}} = 93^{\circ} \pm 7^{\circ}$. Our results are in agreement with bubble chamber measurements made four decades ago.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Directly observing the galaxies likely responsible for reionization

We report a new analysis of the Hubble Frontier Fields clusters Abell 2744 and MACS 0416 using wavelet decomposition to remove the cluster light, enabling the detection of highly magnified (>50×) galaxies a factor of 10× fainter in luminosity than previous studies. We find 167 galaxies at z≳6, and with this sample we are able to characterize the UV luminosity function to M{sub UV}=−12.5 at z∼6, −14 at z∼7, and −15 at z∼8. We find a steep faint-end slope (α<−2), and with our improved statistics at the faint end we reduce the fractional uncertainty on α to <2% at z∼6--7 and 4% at z∼8. We also investigate the systematic uncertainty due to the lens modeling by using every available lens model individually and comparing the results; this systematic fractional uncertainty on α is <4% at all redshifts. We now directly observe galaxies in the luminosity regime where some simulations predict a change in the faint-end slope of the luminosity function, yet our results provide statistically very strong evidence against any turnover in the luminosity range probed, more consistent with simulations in which stars form in lower-mass halos. Thus, we find strong support for the extension of the steep luminosity function to M{sub UV}=−13 at z>6, consistent with the number of faint galaxies needed to reionize the universe under standard assumptions.

79 ASTRONOMY AND ASTROPHYSICS↗

Random 3D Interpenetrating Electrode Design for Energy Storage Applications

We introduce the concept of random interpenetrating electrode structures, inspired by spinodal decomposition, as a transformative approach for energy storage applications. While ordered architectures, such as double gyroids and Kelvin cell structures, have long been favored for their structural uniformity and surface area utilization, we demonstrate that random structures offer distinct advantages including shorter diffusion pathways, higher packing density, and enhanced reaction kinetics, particularly at low temperatures. Using a combination of computational and electrochemical analysis, we show that random architecture outperforms their ordered counterparts in scenarios where diffusion dominates. This work represents the first systematic exploration of random structures in energy storage, highlighting their potential to overcome limitations of traditional designs. However, challenges such as structural reproducibility and scalability remain, necessitating further investigation into fabrication techniques and material selection. By establishing a framework to optimize random electrode architectures, we provide critical insights into the interplay between geometry, diffusion, and reaction kinetics. This study not only introduces a new design principle for 3D electrodes but also opens pathways for next-generation energy storage systems that demand both high performance and adaptability to a range of operating conditions.

Materials science↗

Carbon dioxide (CO 2 ) concentrations and emission in the newly constructed Belo Monte hydropower complex in the Xingu River, Amazonia

The Belo Monte hydropower complex located in the Xingu River is the largest run-of-the-river (ROR) hydroelectric system in the world and has one of the highest energy production capacities among dams. Its construction received significant media attention due to its potential social and environmental impacts. It is composed of two ROR reservoirs: the Xingu Reservoir (XR) in the Xingu's main branch and the Intermediate Reservoir (IR), an artificial reservoir fed by waters diverted from the Xingu River with longer water residence time compared to XR. We aimed to evaluate spatiotemporal variations in CO 2 partial pressure ( p CO 2 ) and CO 2 fluxes ( F CO 2 ) during the first 2 years after the Xingu River impoundment under the hypothesis that each reservoir has contrasting F CO 2 and p CO 2 as vegetation clearing reduces flooded area emissions. Time of the year had a significant influence on p CO 2 with the highest average values observed during the high-water season. Spatial heterogeneity throughout the entire study area was observed for pCO2 during both low- and high-water seasons. F CO 2 , on the other hand, only showed significant spatial heterogeneity during the high-water period. F CO 2 (0.90±0.47 and 1.08±0.62 µmol m 2 d –1 for XR and IR, respectively) and p CO 2 (1647±698 and 1676±323 µatm for XR and IR, respectively) measured during the high-water season were on the same order of magnitude as previous observations in other Amazonian clearwater rivers unaffected by impoundment during the same season. In contrast, during the low-water season F CO 2 (0.69±0.28 and 7.32±4.07 µmol m 2 d –1 for XR and IR, respectively) and p CO 2 (839±646 and 1797±354 µatm for XR and IR, respectively) in IR were an order of magnitude higher than literature F CO 2 observations in clearwater rivers with naturally flowing waters. When CO 2 emissions are compared between reservoirs, IR emissions were 90 % higher than values from the XR during low-water season, reinforcing the clear influence of reservoir characteristics on CO 2 emissions. Based on our observations in the Belo Monte hydropower complex, CO 2 emissions from ROR reservoirs to the atmosphere are in the range of natural Amazonian rivers. However, the associated reservoir (IR) may exceed natural river emission rates due to the preimpounding vegetation influence. Since many reservoirs are still planned to be constructed in the Amazon and throughout the world, it is critical to evaluate the implications of reservoir traits on F CO 2 over their entire life cycle in order to improve estimates of CO 2 emissions per kilowatt for hydropower projects planned for tropical rivers.

54 ENVIRONMENTAL SCIENCES↗

Nanoscale imaging of He-ion irradiation effects on amorphous TaO x toward electroforming-free neuromorphic functions

Resistive switching in thin films has been widely studied in a broad range of materials. Yet, the mechanisms behind electroresistive switching have been persistently difficult to decipher and control, in part due to their non-equilibrium nature. Here, we demonstrate new experimental approaches that can probe resistive switching phenomena, utilizing amorphous TaO x as a model material system. Specifically, we applied scanning microwave impedance microscopy and cathodoluminescence (CL) microscopy as direct probes of conductance and electronic structure, respectively. These methods provide direct evidence of the electronic state of TaO x despite its amorphous nature. For example, CL identifies characteristic impurity levels in TaO x , in agreement with first principles calculations. We applied these methods to investigate He-ion-beam irradiation as a path to activate conductivity of materials and enable electroforming-free control over resistive switching. However, we find that even though He-ions begin to modify the nature of bonds even at the lowest doses, the films' conductive properties exhibit remarkable stability with large displacement damage and they are driven to metallic states only at the limit of structural decomposition. Finally, we show that electroforming in a nanoscale junction can be carried out with a dissipated power of <20 nW, a much smaller value compared to earlier studies and one that minimizes irreversible structural modifications of the films. Importantly, the multimodal approach described here provides a new framework toward the theory/experiment guided design and optimization of electroresistive materials.

36 MATERIALS SCIENCE↗

High Modulus and High T(sub g) Thermally Stable Polymers from p-Ethynyl-Terminated Rigid-Rod Monomers

Novel p-ethynyl-substituted rigid rod monomers were studied by pressure Differential Scanning Calorimetry (DSC), ThermoGravimetric Analysis (TGA), IsothermoGravimetric Analysis (IGA), and TGA-IR. These monomers, 4,4'-bis(((4-ethynylphenyl)carbonyl)oxy)biphenyl, designated 1, 1,5-bis-(((4-ethynylphenyl)carbonyl)oxy)naphthalene, designated 2, and bis(4-ethynylphenyl)pyromellitimide, designated 3, were polymerized in the solid state. Thermal polymerization in N2 or air produced highly cross-linked resins with polymerization exotherms centered between 212 and 276 C. The (delta)H's of polymerization of these resins in air were found to be double those in N2. When monomers 1 and 2 were heated in air from 23 to 750 C at 10 C/min, the main decomposition product was carbon dioxide, evolving at a maximum rate between 500 and 600 C; water was also detected as a decomposition product. Void-free neat resin moldings, designated lp to 3p, were made by compression molding the monomers and then heating them. The resulting polymers were highly cross-linked, and their glass transition temperatures (T(sub g)) were much higher than their polymerization temperatures. Using ThermoMechanical Analysis (TMA), we found that polymers lp to 3p had T(sub g)'s of 422, 329, and 380 C, respectively. The thermal and thermooxidative stabilities improved when lp to 3p were postcured in N2 (the postcured polymers were designated 1pp to 3pp). The Linear Thermal Expansions (LTE) for lp and 3p were 1% between 23 and 420 C. Using rheological analysis, we could not clearly detect the T(sub g)'s of lp to 3p because their moduli dropped only slightly between 23 and 490 C and the changes in tan beta were very low. Because of high cross-link density, their moduli changed little as the resins went from a glassy to a rubbery state. Their shear storage moduli in air ranged from 0.82 (3p, 3pp) to 1.6 GPa (lpp) at 23 C, from 0.16 (2p) to 0.7GPa(lpp) at 380 C, and from 0.18(lpp)to 0.6GPa(2p) at 490 C. Finally, these novel-p-ethynyl polymers exhibited an excellent combination of high T(sub g), low LTE, and high thermooxidative stability. Most notably, 3pp lost only 3% of its initial weight when it was aged for 500 h at 288 C in air.

Melissaris, Anastasios P.↗

Feature Acquisition with Imbalanced Training Data

This work considers cost-sensitive feature acquisition that attempts to classify a candidate datapoint from incomplete information. In this task, an agent acquires features of the datapoint using one or more costly diagnostic tests, and eventually ascribes a classification label. A cost function describes both the penalties for feature acquisition, as well as misclassification errors. A common solution is a Cost Sensitive Decision Tree (CSDT), a branching sequence of tests with features acquired at interior decision points and class assignment at the leaves. CSDT's can incorporate a wide range of diagnostic tests and can reflect arbitrary cost structures. They are particularly useful for online applications due to their low computational overhead. In this innovation, CSDT's are applied to cost-sensitive feature acquisition where the goal is to recognize very rare or unique phenomena in real time. Example applications from this domain include four areas. In stream processing, one seeks unique events in a real time data stream that is too large to store. In fault protection, a system must adapt quickly to react to anticipated errors by triggering repair activities or follow- up diagnostics. With real-time sensor networks, one seeks to classify unique, new events as they occur. With observational sciences, a new generation of instrumentation seeks unique events through online analysis of large observational datasets. This work presents a solution based on transfer learning principles that permits principled CSDT learning while exploiting any prior knowledge of the designer to correct both between-class and withinclass imbalance. Training examples are adaptively reweighted based on a decomposition of the data attributes. The result is a new, nonparametric representation that matches the anticipated attribute distribution for the target events.

Thompson, David R.↗

Characterization of the state of nanoparticle aggregation in non-equilibrium plasma synthesis systems

Non-equilibrium plasmas offer a unique environment for nanoparticle synthesis. Particles are homogeneously nucleated and grow at near room temperature as a result of non-thermal decomposition of vapor precursors by electrons and other plasma-excited species. Despite their widespread use, several features regarding particle growth in these systems remain poorly understood. In particular, particle aggregation (the formation of non-spherical entities composed of primary particles) is assumed to be negligible because of unipolar particle charging and subsequent Coulombic repulsion, which would hinder collisional growth. Here, we apply ion mobility-mass spectrometry (IM-MS) to a non-thermal, atmospheric pressure DC microplasma to study the state of aggregation of as-synthesized nanoparticles. Under all examined synthesis conditions, we find the presence of highly branched, chain-like aggregates at the reactor outlet, with a primary particle radius below 10 nm that is relatively insensitive to synthesis conditions. The aggregates are polydisperse, with mean masses and mobility diameters increasing with both increasing precursor concentration and increasing flow residence time within the system. TEM structural characterization shows that the aggregates can be described by a quasifractal model, with a fractal dimensions in the 1.6–2.0 range. The mass-mobility relationship inferred from IM-MS and TEM agrees well with Langevin dynamics simulations where coulomb interactions are not considered. We suggest that particle aggregation occurs either in the plasma volume due to the scavenging of smaller neutral or positively charged particles by growing aggregates or outside the reactor where the plasma density is lower and electrons are not available to maintain high levels of unipolar charge. Furthermore, the methods applied here additionally demonstrate the potential of IM-MS and TEM structural characterization in analyzing gas-phase nanoparticle production processes.

42 ENGINEERING↗

Experimental and fuel-surrogates modeling study of the high-pressure pyrolysis of specialty cetane number fuels: implications for fall-off in ethylene unimolecular dissociation

Single pulse shock tube experiments were conducted at 50 atm nominal pressure and 4 ms nominal reaction time over a temperature range of 900–1800 K, to study the pyrolysis speciation of a multi-component jet fuel, F-24, and six cetane number (CN) specialty fuels - CN30, CN35, CN40, CN45, CN50, and CN55. Gas chromatography (GC) was used to qualitatively and quantitatively analyze the post shock gases. The relationship between the formation of key pyrolysis species and the chemically controlled combustion propensity as reflected by the cetane number of each fuel was examined. A surrogate-based mechanism from the CRECK Modelling Group and chemical-functional group based optimized surrogates (CFGO) were used to simulate the pyrolysis speciation results. The model was able to capture the chemistry of most species except two important pyrolysis intermediates – ethylene and acetylene. Chemical kinetic analyses were performed to identify the important reactions which affect the chemistry of these species; however, the rate parameters of critical reactions were found to be unsuitable for simulating the present high-pressure studies. Here, to address this unsuitability, a theory-based fall-off analysis for three reactions representing the decomposition of ethylene and subsequent formation of acetylene was performed, and these are included in an updated version of the CRECK mechanism. This update resolves discrepancies between the experimental results and simulations for ethylene and acetylene. Reaction flux analyses using the updated surrogate model were also performed to identify the important reaction pathways responsible for the formation of crucial species and to provide an analysis of the chemistry of complex multi-component fuel systems. The fundamental reactions responsible for driving pyrolysis chemistry were greatly influenced by the chemical functional groups present in these fuels. In addition to updating the rate parameters of specific reactions to improve modeling, this study also emphasizes the effectiveness of the fuel-surrogate approach, where surrogates representing the chemical functional group composition of the parent fuel serve as a valuable tool for predicting the combustion chemistry of novel fuels.

Chemical Kinetics↗

Thermal Stability of Jet Fuels: Kinetics of Forming Deposit Precursors

The focus of this study was on the autoxidation kinetics of deposit precursor formation in jet fuels. The objectives were: (1) to demonstrate that laser-induced fluorescence is a viable kinetic tool for measuring rates of deposit precursor formation in jet fuels; (2) to determine global rate expressions for the formation of thermal deposit precursors in jet fuels; and (3) to better understand the chemical mechanism of thermal stability. The fuels were isothermally stressed in small glass ampules in the 120 to 180 C range. Concentrations of deposit precursor, hydroperoxide and oxygen consumption were measured over time in the thermally stressed fuels. Deposit precursors were measured using laser-induced fluorescence (LIF), hydroperoxides using a spectrophotometric technique, and oxygen consumption by the pressure loss in the ampule. The expressions, I.P. = 1.278 x 10(exp -11)exp(28,517.9/RT) and R(sub dp) = 2.382 x 10(exp 17)exp(-34,369.2/RT) for the induction period, I.P. and rate of deposit precursor formation R(sub dp), were determined for Jet A fuel. The results of the study support a new theory of deposit formation in jet fuels, which suggest that acid catalyzed ionic reactions compete with free radical reactions to form deposit precursors. The results indicate that deposit precursors form only when aromatics are present in the fuel. Traces of sulfur reduce the rate of autoxidation but increase the yield of deposit precursor. Free radical chemistry is responsible for hydroperoxide formation and the oxidation of sulfur compounds to sulfonic acids. Phenols are then formed by the acid catalyzed decomposition of benzylic hydroperoxides, and deposit precursors are produced by the reaction of phenols with aldehydes, which forms a polymer similar to Bakelite. Deposit precursors appear to have a phenolic resin-like structure because the LIF spectra of the deposit precursors were similar to that of phenolic resin dissolved in TAM.

Naegeli, David W.↗

A Space-based Observational Strategy for Characterizing the First Stars and Galaxies Using the Redshifted 21 cm Global Spectrum

The redshifted 21 cm monopole is expected to be a powerful probe of the epoch of the first stars and galaxies (10<z<35). The global 21 cm signal is sensitive to the thermal and ionization state of hydrogen gas and thus provides a tracer of sources of energetic photons—primarily hot stars and accreting black holes—which ionize and heat the high redshift intergalactic medium (IGM). This paper presents a strategy for observations of the global spectrum with a realizable instrument placed in a low-altitude lunar orbit, performing night-time 40–120 MHz spectral observations, while on the farside to avoid terrestrial radio frequency interference, ionospheric corruption, and solar radio emissions. The frequency structure, uniformity over large scales, and unpolarized state of the redshifted 21 cm spectrum are distinct from the spectrally featureless, spatially varying, and polarized emission from the bright foregrounds. This allows a clean separation between the primordial signal and foregrounds. For signal extraction, we model the foreground, instrument, and 21 cm spectrum with eigenmodes calculated via Singular Value Decomposition analyses. Using a Markov Chain Monte Carlo algorithm to explore the parameter space defined by the coefficients associated with these modes, we illustrate how the spectrum can be measured and how astrophysical parameters (e.g., IGM properties, first star characteristics) can be constrained in the presence of foregrounds using the Dark Ages Radio Explorer (DARE).

79 ASTRONOMY AND ASTROPHYSICS↗

Identification and Mitigation of Generated Solid By-Products during Advanced Electrode Materials Processing

A scalable, solid-state elevated temperature process was developed to produce high capacity carbonaceous electrode materials for energy storage devices via decomposition of starch-based precursor in an inert atmosphere. The fabricated carbon-based architectures are useful as an excellent electrode material for lithium-ion, sodium-ion and lithium-sulfur batteries. This article focuses on the study and analysis of the formed nanometer-sized byproducts during the lab-scale production of carbonaceous electrode materials in the process design phase. The complete material production process was studied by operation, namely during heating, holding the reaction at elevated temperature, followed by cooling. The unknown downstream particles in the process exhaust were collected and characterized via aerosol and liquid suspensions, and they were quantified using direct-reading instruments for number and mass concentrations. The airborne emissions were collected on polycarbonate filters and TEM grids using the Tsai diffusion sampler (TDS) for characterization and further analysis. Released byproduct aerosols collected in a deionized (DI) water trap were analyzed using a Nanosight real time nanoparticle characterization system and the aerosols emitted post water suspension were collected and characterized. Individual particles in the nanometer size range were found in exhaust aerosols, however, crystal structured aggregates were formed on the sampling substrate after a long-term sampling of emitted exhaust. After characterizing the released aerosol byproducts, methods were also identified to mitigate possible human and environmental exposures upon the industrial implementation of such a process.

25 ENERGY STORAGE↗

Enabling kilometer-scale E3SM land model simulation over North America: A new integrated framework solution

This study introduces a novel framework designed to enhance the performance, scalability, and portability of the kilometer-scale E3SM Land Model (km-ELM) within the E3SM modeling infrastructure. By seamlessly integrating cutting-edge data tools, we address existing challenges such as slow performance, limited scalability, and difficulties in software integration in current data-driven ELM simulation over large geographic areas. Our innovative approach leverages the KiloCraft data toolkit to generate unified inputs for simulations ranging from a single-cite case, to a 72,083-cell regional case to a continental configuration encompassing 21.6 million land grid cells at a 1 km × 1 km resolution. We conduct extensive strong- and weak-scaling experiments on three state-of-the-art supercomputers, utilizing up to 100,800 CPU cores across 2400 compute nodes to evaluate end-to-end metrics including wall-clock time, simulation-years-per-day (SYPD), initialization costs, and I/O throughput. Our results reveal the land (LND) component’s efficient scaling, demonstrating near-ideal weak scaling and strong-scaling parallel efficiencies reaching up to 87% at 50,400 cores. We confirm portability and reproducibility through bitwise-equivalent outputs across different machines using identical inputs over supported machines. Notably, at extreme scales, we identify I/O as a critical bottleneck and that leads to effective solution with the SCORPIO/ADIOS stack. Collectively, these findings validate the deployment of km-ELM at a continental scale with high parallel efficiency and provide essential guidance on configuration, decomposition, and I/O settings for optimized kilometer-scale land simulations in E3SM. This work emphasizes the innovative design and practical solutions that enhance the operational capabilities of km-ELM, focusing on software performance and scalability while leaving detailed scientific evaluations of simulated land processes for future investigations.

E3SM land model (ELM), km-ELM, scalability, perfor↗

Net Present Value Optimization of a Natural Gas Combined Cycle Plant with CO 2 Capture using a Water-Lean Solvent Considering Transient Electricity Price for Multiple Regions

Global CO 2 emissions are increasing at about a 1.5% rate per year. Fossil fuel-based plants are one of the main contributors to this rise. In the power generation industry, fossil fuel plants are dominant, and many plants are under development. In this study, a natural gas combined cycle (NGCC) power plant with postcombustion capture using a leading water-lean solvent is considered. For optimal design and operating schedule, large-scale dynamic optimization is undertaken for net present value (NPV) optimization. The first principle dynamic model of NGCC is developed, including a model of the highly efficient H-class gas turbines. For computational tractability of the dynamic optimization problem, a reduced-order model is developed by using the Hankel singular value decomposition. A waterlean solvent, N-(2-ethoxyethyl)-3-morpholinopropan-1-amine, is used for carbon capture. A model of the capture system is developed in Aspen Plus, which is used to develop a reduced-order model by using ALAMO, a machine learning software. In addition, a reduced model of the CO 2 compression system with a dehydration unit is also considered. The integrated system is used for NPV optimization by using the Python-based PYOMO platform. The PCC process is analyzed for three configurations-conventional packed bed, rotating packed bed (RPB), and a combination of RPB and direct contact cooler. The NPV optimization is performed for 14 regional markets by considering year-long clustered and continuous locational marginal price data with a 1 h interval. Optimization results show that the PCC can achieve 90% CO 2 capture with a positive NPV for six regions. Sensitivity studies conducted by using the PCC configurations indicate that the process is economically feasible for 9 regions out of 14 regional electricity markets with NPV values in the range of 33−540 $MM.

cabon capture↗

Competing magnetic phases in Cr 3+𝛿 ⁢Te 4 are spatially segregated

Cr 1+𝑥⁢ Te 2 is a self-intercalated van der Waals system that is of current interest for its room-temperature room-temperature ferromagnetic (FM) phases and tunable topological properties. In bulk samples, the strain from the interstitial Cr ions leads to distinct structural phases for different ranges of 𝑥. Early neutron powder diffraction (NPD) measurements on the monoclinic phase Cr 3 ⁢Te 4 (𝑥=0.5) presented evidence for competing FM and antiferromagnetic (AFM) phases. Here we apply neutron diffraction to a single crystal of Cr 3+𝛿 ⁢Te 4 with 𝛿=−0.10 and discover that it consists of two distinct monoclinic phases, one with FM order below 𝑇 C ≈321 K and another that develops AFM order below 𝑇 N ≈86 K. In contrast, we find that a crystal with 𝛿=−0.26 exhibits only FM order below 𝑇 C ≈285 K. The single-crystal analysis is complemented by results obtained with NPD, x-ray powder diffraction, and transmission electron microscopy (TEM) measurements on the 𝛿=−0.10 composition. From observations of spontaneous magnetostriction of opposite sign at 𝑇 C and 𝑇 N , along with the TEM evidence for both monoclinic phases in a single thin ( ≈100 nm) grain, we conclude that the two phases must have a fine-grained ( ≲100 nm) intergrowth character, as might occur from high-temperature spinodal decomposition during the growth process. Calculations of the relaxed lattice structures for the FM and AFM phases with density functional theory provide a rationalization of the observed spontaneous magnetostrictions. Correlations between the magnitude and orientation of the magnetic moments with lattice parameter variation demonstrate that the magnetic orders are sensitive to strain, thus explaining why magnetic ordering temperatures and anisotropies can be different between bulk and thin-film samples, when the latter are subject to epitaxial strain. Our results point to the need to investigate the supposed coexistence FM and AFM phases reported elsewhere in the Cr 1+𝑥 ⁢Te 2 system, such as in the Cr 5 ⁢Te 8 phase (𝑥=0.25).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Bandgap tailoring of in-situ nitrogen-doped TiO₂ sputtered films intended for electrophotocatalytic applications under solar light

We report on a reactive RF-sputtering process permitting the in-situ nitrogen doping of TiO₂ films in order to shift their photoactivity from UV to visible range. By carefully controlling the relative nitrogen-to-argon mass flow rate ratio (within the 0%–25% range) in the sputter deposition chamber, TiO₂:N films were grown with nitrogen contents ranging from 0 to 6.2 at. %, as determined by high-resolution X-ray spectroscopy measurements. A systematic investigation of the crystalline structure of the TiO₂:N films, as a function of their N content, revealed that low N contents (0.2–0.3 at. %) induce crystallization in the rutile phase while higher N contents (≥1.4 at. %) were accompanied with the recovery of the anatase structure with an average crystallite size of ~35 nm. By using both UV-Vis absorption and spectroscopic ellipsometry measurements, we were able to quantitatively determine the bandgap (E{sub g}) variation of the TiO₂:N films as a function of their N content. Thus, we have demonstrated that the E{sub g} of the TiO₂:N films effectively narrows from 3.2 eV down to a value as low as ~2.3 eV for the optimal N doping concentration of 3.4 at. % (higher N incorporation does not translate into further red shifting of the TiO₂:N films' E{sub g}). The photoactivity of the TiO₂:N films under visible light was confirmed through electro-photocatalytic decomposition of chlortetracycline (CTC, an emerging water pollutant) under standard 1.5AM solar radiation. Thus, CTC degradation efficiencies of up to 98% were achieved with 2 hours process cycles under simulated solar light. Moreover, the electro-photocatalytic performance of the TiO₂:N films is shown to be directly correlated to their optoelectronic properties (namely their bandgap narrowing).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Genomic insights into redox-driven microbial processes for carbon decomposition in thawing Arctic soils and permafrost

Climate change is rapidly transforming Arctic landscapes where increasing soil temperatures speed up permafrost thaw. This exposes large carbon stocks to microbial decomposition, possibly worsening climate change by releasing more greenhouse gases. Understanding how microbes break down soil carbon, especially under the anaerobic conditions of thawing permafrost, is important to determine future changes. Here, we studied the microbial community dynamics and soil carbon decomposition potential in permafrost and active layer soils under anaerobic laboratory conditions that simulated an Arctic summer thaw. The microbial and viral compositions in the samples were analyzed based on metagenomes, metagenome-assembled genomes, and metagenomic viral contigs (mVCs). Following the thawing of permafrost, there was a notable shift in microbial community structure, with fermentative Firmicutes and Bacteroidota taking over from Actinobacteria and Proteobacteria over the 60-day incubation period. The increase in iron and sulfate-reducing microbes had a significant role in limiting methane production from thawed permafrost, underscoring the competition within microbial communities. We explored the growth strategies of microbial communities and found that slow growth was the major strategy in both the active layer and permafrost. Our findings challenge the assumption that fast-growing microbes mainly respond to environmental changes like permafrost thaw. Instead, they indicate a common strategy of slow growth among microbial communities, likely due to the thermodynamic constraints of soil substrates and electron acceptors, and the need for microbes to adjust to post-thaw conditions. The mVCs harbored a wide range of auxiliary metabolic genes that may support cell protection from ice formation in virus-infected cells.

54 ENVIRONMENTAL SCIENCES↗