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At least 307 records · Page 17

Inorganic Alterations in Unconventional Shale Reservoirs: Importance of Additive and Base Fluid Chemistry

The effective development of unconventional petroleum systems requires the use of significant water resources. In an effort to reduce the consumption of freshwater resources for hydraulic fracturing, highly saline produced waters are increasingly recycled for use as a base fluid. However, there are significant knowledge gaps regarding potential water–rock interactions resulting from the introduction of produced waters and associated additives into shale reservoirs such as formation and deposition of mineral scale, which can negatively affect hydrocarbon production through wellbore restriction and damage to hydraulically generated fractures. To assess the impacts of field stimulation practices in the subsurface, a series of laboratory experiments were completed using (a) three distinct sedimentary rock formations of the Midland Basin (Texas, USA) and (b) additives with two different base fluids: municipal fresh water and clean brine. The experimental approach used relevant injection sequences and mixing ratios in specialized reactors for 3 weeks. Static pressurized experiments and nonpressurized time-resolved experiments were undertaken. The resulting solids and liquids were analyzed by using a variety of laboratory- and synchrotron-based techniques. The use of an acid spearhead (15% HCl) resulted in texturing of both clay-rich and calcareous shales, which can temporarily enhance porosity but subsequently result in mineral scale deposition. The primary matrix scale was Fe(III)-bearing phases, which occurred in all experiments regardless of base fluid chemistry. Additionally, strontium sulfate (SrSO 4 ) precipitated on shale surfaces when clean brines were used. It was concluded that clean brine was the main source of Sr 2+ species, while persulfate breaker degradation and oxidation of pyrite were the sources of SO 4 2– . Sulfate scaling was more pronounced in clay-rich shales, suggesting that Sr sorption is important for promoting celestite formation. This work demonstrates that mineral scale deposition is a complex phenomenon, whereby the type and proportions of various mineral phases are determined from reservoir alteration processes and coprecipitation of constituents from injection fluids. In conclusion, the experimental results shown here should be considered when evaluating different base fluids and additives in order to mitigate mineral precipitation in unconventional shale reservoirs, which could result in reservoir degradation.

Jew, Adam D. [SLAC National Accelerator Laboratory↗

Modulation of the Electronic and Vibrational Landscape in Lead Organic Chalcogenides

Metal organic chalcogenides (MOCs) are an emerging class of two-dimensional (2D) materials featuring tunable band gaps and strong light-matter interactions with great potential for optical and polaritonic applications. Lead organic chalcogenides (LOCs) stand out among MOCs for sustaining long-lived coherent optical phonons despite their distorted lattices. However, the strong electron–phonon coupling also leads to rapid charge carrier self-trapping, hindering carrier transport. Herein, we demonstrate that charge carrier self-trapping is suppressed in Se- and Te-based LOCs. Specifically, the expansive Se and Te orbitals give rise to more dispersive conduction bands and reduced electron effective masses, thereby mitigating carrier self-trapping. As a result of reduced carrier self-trapping, the Se- and Te-based LOCs exhibit enhanced band-to-band photoluminescence and improved charge transport performance. Furthermore, our results provide a synthetic route to Se- and Te-based LOC single crystals and demonstrate the potential of orbital engineering to tune their electronic and phononic properties.

Chalcogenides↗

Quantifying Outer- and Inner-Coordination Sphere Effects Using Uranium Redox Chemistry in Molten Salt Solutions

Defining the relative influence of intramolecular and intermolecular forces is a fundamental problem in chemistry that is difficult to quantify. To address this challenge, we developed a method to evaluate the relative impact of direct chemical bonding in the inner-coordination sphere vs effects from cations in the outer-coordination sphere by comparative analysis of uranium redox reactivity in various molten salts. We observed that outer-coordination sphere cations (M 1+ ) and inner-coordination sphere anions (X 1– ) both affected uranium redox reactivity, with more polarizing M 1+ and larger X 1– favoring uranium in low oxidation states. Changing M 1+ (Li, Na, K) shifted the U IV + e 1– ⇌ U III (U IV/III ) and U III + 3e 1– → U 0 metal potentials by +330 and +240 mV, respectively. Changing X 1– (Cl, Br, I) caused larger shifts of +440 mV for the U IV/III redox potential and +1060 mV for the U 0 metal deposition potential. Using Coulomb’s Law, we correlated these potentials with electrostatic interactions between UIII and the molten salt. This model provided a facile way of predicting redox chemistry within molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impacts of Lake Surface Temperature on the Summer Climate Over the Great Lakes Region

The surface of the Great Lakes interacts with the atmosphere, influencing the weather and climate over the Great Lakes Region (GLR). However, most climate models were not designed with sufficient emphasis on lake–atmosphere interactions, which could potentially cause model biases over the GLR. To understand how lake surface temperature (LST) affects the regional summer climate over the GLR, we conducted twin experiments using the Weather Research and Forecasting model at a spatial resolution of 4 km using two different LST data sets as the bottom boundary condition over the Great Lakes. In this work, our simulations include 10 ensemble members for the summer of 2018 and a single multiyear run for the summers of 2014–2020. Results show that variations in LST influence atmospheric temperature and moisture at a local scale—while affecting the convective environment and precipitation processes over a much larger spatial scale. In particular, an LST that is only 1°C–3°C warmer (depending on the lake) increases near-surface air temperature by 1.93°C and 0.97°C over Lake Superior and Lake Erie, respectively, and increases evaporation over the lakes by 0.23 and 1.1 mm day –1 . The warmer LST reduces mesoscale convective precipitation upstream of the GLR; however, it increases isolated deep convective precipitation and nonconvective precipitation downstream of GLR due to increased local instability and enhancement of moisture transport. Our analyses confirm the robustness of these impacts, which is at least 2 times larger than the model internal variability and is seen across all simulated summer seasons.

54 ENVIRONMENTAL SCIENCES↗

Constraint on the matter–antimatter symmetry-violating phase in neutrino oscillations

The charge-conjugation and parity-reversal (CP) symmetry of fundamental particles is a symmetry between matter and antimatter. Violation of this CP symmetry was first observed in 1964, and CP violation in the weak interactions of quarks was soon established. Sakharov proposed that CP violation is necessary to explain the observed imbalance of matter and antimatter abundance in the Universe. Yet, CP violation in quarks is too small to support this explanation. So far, CP violation has not been observed in non-quark elementary particle systems. It has been shown that CP violation in leptons could generate the matter–antimatter disparity through a process called leptogenesis. Leptonic mixing, which appears in the standard model’s charged current interactions, provides a potential source of CP violation through a complex phase δ CP , which is required by some theoretical models of leptogenesis. This CP violation can be measured in muon neutrino to electron neutrino oscillations and the corresponding antineutrino oscillations, which are experimentally accessible using accelerator-produced beams as established by the Tokai-to-Kamioka (T2K) and NOvA experiments. Until now, the value of δ CP has not been substantially constrained by neutrino oscillation experiments. Here we report a measurement using long-baseline neutrino and antineutrino oscillations observed by the T2K experiment that shows a large increase in the neutrino oscillation probability, excluding values of δ CP that result in a large increase in the observed antineutrino oscillation probability at three standard deviations (3σ). The 3σ confidence interval for δ CP , which is cyclic and repeats every 2π, is [-3.41, -0.03] for the so-called normal mass ordering and [-2.54, -0.32] for the inverted mass ordering. Our findings indicate CP violation in leptons and our method enables sensitive searches for matter–antimatter asymmetry in neutrino oscillations using accelerator-produced neutrino beams. Future measurements with larger datasets will test whether leptonic CP violation is larger than the CP violation in quarks.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Signatures of a Majorana-Fermi surface in the Kitaev magnet Ag 3 LiIr 2 O 6

Detecting Majorana fermions in experimental realizations of the Kitaev honeycomb model is often complicated by non-trivial interactions inherent to potential spin liquid candidates. In this work, we identify several distinct thermodynamic signatures of massive, itinerant Majorana fermions within the well-established analytical paradigm of Landau-Fermi liquid theory. We find a qualitative and quantitative agreement between the salient features of our Landau-Majorana liquid theory and the Kitaev spin liquid candidate Ag 3 LiIr 2 O 6 . Our study presents strong evidence for a Fermi liquid-like ground state in the fundamental excitations of a honeycomb iridate, and opens new experimental avenues to detect itinerant Majorana fermions in condensed matter systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Heterogenous catalysis for oxygen tolerant photoredox atom transfer radical polymerization and small-molecule dehalogenation

Heterogeneous photocatalysts (PCs) have garnered attention for their sustainability and cost-effectiveness. Despite the existence of various types of these PCs, their synthesis often involves complex, multi-step procedures and laborious purification. Herein, we propose a simple method for attaching small-molecule photocatalytic species onto crosslinked 3-D polymer networks as insoluble scaffolds to create robust heterogeneous PCs. The highly swellable poly(ethylene glycol)-based ChemMatrix (CM) resin, known for its amphiphilic properties and high functional group loading, facilitated the covalent immobilization of the photoredox dye Eosin Y (EY), but also streamlined functionalization with Ir( III ) complexes. The resulting heterogeneous CM-EY demonstrated efficient photocatalytic performance in open-to-air dual photoredox catalysis of atom transfer radical polymerization (photo-ATRP) under green light. This was confirmed by the well-controlled synthesis of polymers with molecular masses ranging from 20 kDa to 300 kDa and low dispersities. Furthermore, CM-EY exhibited excellent photostability and recyclability over multiple cycles of ATRP. The heterogeneous catalysis of photo-ATRP provided high temporal control and enabled benign conditions for synthesizing protein-polymer hybrids (PPH). When combined with the initiator-modified CM (CM-BIB), CM-EY facilitated the solid-phase synthesis of homopolymers and block copolymers with recyclable performance. However, the coordinatively bound Ir@CM showed decreased catalytic activity and efficiency toward photoredox dehalogenation due to the leaching of active species during recycling. This study highlights the advantages of the covalent linking of catalysts to solid supports over non-covalent interactions, underscoring the potential of functionalized polymer resin as a promising scaffold. Such an approach offers customization and tunability, presenting opportunities for innovation in green chemistry.

Kapil, Kriti↗

Machine learning inversion from small-angle scattering for charged polymers

We develop Monte Carlo simulations for uniformly charged polymers and a machine learning algorithm to interpret the intra-polymer structure factor of the charged polymer system, which can be obtained from small-angle scattering experiments. The polymer is modeled as a chain of fixed-length bonds, where the connected bonds are subject to bending energy, and there is also a screened Coulomb potential for charge interaction between all joints. The bending energy is determined by the intrinsic bending stiffness, and the charge interaction depends on the interaction strength and screening length. All three contribute to the stiffness of the polymer chain and lead to longer and larger polymer conformations. The screening length also introduces a second length scale for the polymer besides the bending persistence length. To obtain the inverse mapping from the structure factor to these polymer conformation and energy-related parameters, we generate a large data set of structure factors by running simulations for a wide range of polymer energy parameters. We use principal component analysis to investigate the intra-polymer structure factors and determine the feasibility of the inversion using the nearest neighbor distance. We employ Gaussian process regression to achieve the inverse mapping and extract the characteristic parameters of polymers from the structure factor with low relative error.

36 MATERIALS SCIENCE↗

Tomography of the positive-pitch fast-ion velocity distribution in DIII-D plasmas with Alfvén eigenmodes and neoclassical tearing modes

Understanding the effect of Alfvén eigenmodes (AEs) and neoclassical tearing modes (NTMs) on fast ions is highly important for fusion reactors due to potentially strong resonant interactions between the fast ions and the modes. Here, we use the four-view fast-ion D-alpha (FIDA) diagnostic installed in the DIII-D tokamak to reconstruct the fast-ion velocity distribution at two radial positions during two sequential discharges with strong and weak mode activity, respectively. The velocity-space coverage of the diagnostics, however, only allows reliable reconstructions of fast ions with positive pitches. Therefore, we suggest new tomographic inversion methods relying on prior information outside the well-diagnosed region. We find that within the population of fast ions with positive pitches, ions, at all energies, are transported away from the measurement volumes. Comparisons between the reconstructions and kick model simulations, where the mode activity is considered, reveal that low-frequency modes such as the NTMs and low-frequency AEs contribute significantly to the positive-pitch fast-ion transport in the central measurement volume, whereas TAEs and EAEs become important farther out and are responsible for decreased fast-ion confinement.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Liquid Argon Time Projection Chamber Trigger Development with MicroBooNE

The Micro Booster Neutrino Experiment (MicroBooNE) is a Liquid Argon Time Projection Chamber (LArTPC) neutrino detector at Fermilab that has been operating since 2015. It aims to perform v-Ar cross-section measurements, explore the low-energy excess reported by the MiniBooNE experiment and perform a combined search for sterile neutrino oscillations as part of three LArTPCs that make up the Short Baseline Neutrino (SBN) Program at Fermilab. Since MicroBooNE is currently in an R&D phase, it offers a unique opportunity for the implementation and testing of TPC-based triggers as R&D towards the Deep Underground Neutrino Experiment (DUNE). One of the technical challenges of DUNE that we aim to address with this study is that of efficient self-triggering of a LArTPC utilizing TPC signal information. This capability will enable searches for rare processes in DUNE, such as neutrino interactions from a potential galactic supernova burst. This talk will describe the MicroBooNE TPC readout system and ongoing R&D efforts to develop and demonstrate TPC-based triggering.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SDSS IV MaNGA: characteristics of edge-on galaxies with a counter-rotating gaseous disc

ABSTRACT Counter-rotating components in galaxies are one of the most direct forms of evidence for past gas accretion or merging. We discovered 10 edge-on disc gaseous counter-rotators in a sample of 523 edge-on galaxies identified in the final MaNGA (Mapping Nearby Galaxies at APO) IFU sample. The counter-rotators tend to located in small groups. The gaseous counter-rotators have intermediate stellar masses and and located in the green valley and red sequence of the colour–magnitude diagram. The average vertical extents of the stellar and ionized gas discs are the same as for the rest of the sample while their radial gas and stellar distributions are more centrally concentrated. This may point at angular momentum loss during the formation process of the counter-rotating discs. The counter-rotators have low gas and dust content, weak emission-line strengths, and low star formation rates. This suggests that the formation of counter-rotators may be an efficient way to quench galaxies. One counter-rotator, SDSS J080016.09+292817.1 (Galaxy F), has a post-starburst region and a possible AGN at the centre. Another counter-rotator, SDSS J131234.03+482159.8 (Galaxy H), is identified as a potential ongoing galaxy interaction with its companion satellite galaxy, a gas-rich spiral galaxy. This may be representative case of a gaseous counter-rotator forming through a merger origin. However, tidal distortions expected in mergers are only found in a few of the galaxies and we cannot rule out direct gas accretion as another formation mechanism.

Beom, Minje↗

Electrically controlled two-dimensional electron-hole fluids

We study the electronic properties of dual-gated electron-hole bilayers in which the two layers are separated by a perfectly opaque tunnel barrier. Combining an electrostatic and thermodynamic analysis with mean-field theory estimates of interacting system chemical potentials, we explain the dependence of the electron and hole densities on the two gate voltages. Because chemical potential jumps occur for both electrons and holes at neutrality, there is a finite area in gate voltage parameter space over which electron and hole densities are equal. In that regime the electron-hole pair density depends only on the sum of the two gate voltages. As a result, we are able to explain a recent experimental study of electrically controlled bilayers by allowing for interlayer tunneling and using a nonequilibrium steady-state transport picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Moiré quantum chemistry: Charge transfer in transition metal dichalcogenide superlattices

Transition metal dichalcogenide (TMD) bilayers have recently emerged as a robust and tunable moiré system for studying and designing correlated electron physics. In this Rapid Communication, by combining a large-scale first-principles calculation and continuum model approach, we provide an electronic structure theory that maps long-period TMD heterobilayer superlattices onto diatomic crystals with cations and anions. We find that the interplay between the moiré potential and Coulomb interaction leads to filling-dependent charge transfer between different moiré superlattice regions. Further, we show that the insulating state at half filling found in recent experiments on WSe 2 /WS 2 is a charge-transfer insulator rather than a Mott-Hubbard insulator. Our work reveals the richness of simplicity in moiré quantum chemistry.

36 MATERIALS SCIENCE↗

Control Design of Series-connected PV-powered Grid-forming Converters via Singular Perturbation

We report modular architectures that consist of several series-connected dc-ac converters have been a focal point of recent innovations in transformerless medium-voltage applications. In this paper, we consider an architecture consisting of dc-ac modules containing a quadruple active bridge dc-dc converter, which generates three floating dc links that feed grid-side dc-ac inverters. Practical implementation of such a converter module in PV systems requires a variety of controllers that collectively achieve maximum power point tracking, dc-link regulation, and ac-side power control. Design of such multi-loop systems is generally quite challenging due to the potential for destabilizing interactions among loops. Here we propose a design approach where singular perturbation theory is used to decompose the timescales at which each control loop operates and provides a systematic framework for parametric selection. Our approach also ensures system stability of multiple modules with identical controls connected in series across a grid. The paper concludes with experimental results of three 1000 W series-connected converter modules across a stiff grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Novel plant–microbe interactions: Rapid evolution of a legume–rhizobium mutualism in restored prairies

Abstract When plants colonize new habitats, the novel interactions they form with new mutualists or enemies can immediately affect plant performance. These novel interactions also may provoke rapid evolutionary responses and can be ideal scenarios for investigating how species interactions influence plant evolution. To explore how mutualists influence the evolution of colonizing plant populations, we capitalized on an experiment in which two former agricultural fields were seeded with identical prairie seed mixes in 2010. Six years later, we compared how populations of the legume Chamaecrista fasciculata from these sites and their original (shared) source population responded to nitrogen‐fixing rhizobia from the restoration sites in a greenhouse reciprocal cross‐inoculation experiment. We found that the two populations differed both from their original source population and from each other in the benefits they derive from rhizobia, and that one population has evolved reduced allocation to rhizobia (i.e. forms fewer rhizobium‐housing nodules). Synthesis . Our results suggest that these plant populations have evolved different ways of interacting with rhizobia, potentially in response to differences in rhizobium quality between sites. Our study illustrates how microbial mutualists may shape plant evolution in new environments and highlights how variation in microbial mutualists potentially may select for different evolutionary strategies in plant hosts.

Magnoli, Susan M.↗

Understanding the metabolome and metagenome as extended phenotypes: The next frontier in macroalgae domestication and improvement

Abstract “ Omics” techniques (including genomics, transcriptomics, metabolomics, proteomics, and metagenomics) have been employed with huge success in the improvement of agricultural crops. As marine aquaculture of macroalgae expands globally, biologists are working to domesticate species of macroalgae by applying these techniques tested in agriculture to wild macroalgae species. Metabolomics has revealed metabolites and pathways that influence agriculturally relevant traits in crops, allowing for informed crop crossing schemes and genomic improvement strategies that would be pivotal to inform selection on macroalgae for domestication. Advances in metagenomics have improved understanding of host–symbiont interactions and the potential for microbial organisms to improve crop outcomes. There is much room in the field of macroalgal biology for further research toward improvement of macroalgae cultivars in aquaculture using metabolomic and metagenomic analyses. To this end, this review discusses the application and necessary expansion of the omics tool kit for macroalgae domestication as we move to enhance seaweed farming worldwide.

DeWeese, Kelly J.↗

Genome Streamlining, Proteorhodopsin, and Organic Nitrogen Metabolism in Freshwater Nitrifiers

Microbial nitrification is a critical process governing nitrogen availability in aquatic systems. Freshwater nitrifiers have received little attention, leaving many unanswered questions about their taxonomic distribution, functional potential, and ecological interactions. Here, we reconstructed genomes to infer the metabolism and ecology of free-living picoplanktonic nitrifiers across the Laurentian Great Lakes, a connected series of five of Earth’s largest lakes. Surprisingly, ammonia-oxidizing bacteria (AOB) related to Nitrosospira dominated over ammonia-oxidizing archaea (AOA) at nearly all stations, with distinct ecotypes prevailing in the transparent, oligotrophic upper lakes compared to Lakes Erie and Ontario. Unexpectedly, one ecotype of Nitrosospira encodes proteorhodopsin, which could enhance survival under conditions where ammonia oxidation is inhibited or substrate limited. Nitrite-oxidizing bacteria (NOB) “Candidatus Nitrotoga” and Nitrospira fluctuated in dominance, with the latter prevailing in deeper, less-productive basins. Genome reconstructions reveal highly reduced genomes and features consistent with genome streamlining, along with diverse adaptations to sunlight and oxidative stress and widespread capacity for organic nitrogen use. Our findings expand the known functional diversity of nitrifiers and establish their ecological genomics in large lake ecosystems. By elucidating links between microbial biodiversity and biogeochemical cycling, our work also informs ecosystem models of the Laurentian Great Lakes, a critical freshwater resource experiencing rapid environmental change.

59 BASIC BIOLOGICAL SCIENCES↗

Trust based attachment

In social systems subject to indirect reciprocity, a positive reputation is key for increasing one’s likelihood of future positive interactions. The flow of gossip can amplify the impact of a person’s actions on their reputation depending on how widely it spreads across the social network, which leads to a percolation problem. To quantify this notion, we calculate the expected number of individuals, the “audience”, who find out about a particular interaction. For a potential donor, a larger audience constitutes higher reputational stakes, and thus a higher incentive, to perform “good” actions in line with current social norms. For a receiver, a larger audience therefore increases the trust that the partner will be cooperative. This idea can be used for an algorithm that generates social networks, which we call trust based attachment (TBA). TBA produces graphs that share crucial quantitative properties with real-world networks, such as high clustering, small-world behavior, and powerlaw degree distributions. We also show that TBA can be approximated by simple friend-of-friend routines based on triadic closure, which are known to be highly effective at generating realistic social network structures. Therefore, our work provides a new justification for triadic closure in social contexts based on notions of trust, gossip, and social information spread. These factors are thus identified as potential significant influences on how humans form social ties.

59 BASIC BIOLOGICAL SCIENCES↗