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Creators/Authors contains: "Rowan, S"

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  1. Redox-active polymers serving as the active materials in solid-state electrodes offer a promising path toward realizing all-organic batteries. While both cathodic and anodic redox-active polymers are needed, the diversity of the available anodic materials is limited. Here, we predict solid-state structural, ionic, and electronic properties of anodic, phthalimide-containing polymers using a multiscale approach that combines atomistic molecular dynamics, electronic structure calculations, and machine learning surrogate models. Importantly, by combining information from each of these scales, we are able to bridge the gap between bottom-up molecular characteristics and macroscopic properties such as apparent diffusion coefficients of electron transport (Dapp). We investigate the impact of different polymer backbones and of two critical factors during battery operation: state of charge and polymer swelling. Our findings reveal that the state of charge significantly influences solid-state packing and the thermophysical properties of the polymers, which, in turn, affect ionic and electronic transport. A combination of molecular-level properties (such as the reorganization energy) and condensed-phase properties (such as effective electron hopping distances) determine the predicted ranking of electron transport capabilities of the polymers. We predict Dapp for the phthalimide-based polymers and for a reference nitroxide radical-based polymer, finding a 3 orders of magnitude increase in Dapp (≈10–6 cm2 s–1) with respect to the reference. This study underscores the promise of phthalimide-containing polymers as highly capable redox-active polymers for anodic materials in all-organic batteries, due to their exceptional predicted electron transport capabilities. 
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  2. Ionic liquids (ILs) and deep eutectic solvents (DESs) have tremendous potential for reactive capture of CO2, due to their highly properties, including a wide electrochemical stability window, low volatility, and high CO2solubility. 
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  3. Photo-induced thiol-ene crosslinking of allyl-functionalized cellulose nanocrystal (CNC)/polymer nanocomposites allows access to films that mimic the water-enhanced mechanical gradient characteristics of the squid beak. These films are prepared by mixing the functionalized CNCs and polymer in a solvent before solution casting and drying. The photocrosslinking agents are then imbibed into the film before UV exposure. Reported herein are studies aimed at better understanding the effect of the film preparation procedure, film thickness and the conditions under which the UV treatment is carried out. It was found that when the film is heated at a temperature higher than its glass transition temperature (Tg) during the UV irradiation step there is a greater enhancement in the mechanical properties of the films, presumably on account of more efficient crosslinking between the CNC fillers. Moreover, composite films that were compression molded (at 90°C) before the imbibing step displayed lower mechanical properties compared to the as-cast films, which is attributed to phase separation of the CNC fillers and polymer matrix during this additional processing step. Finally, the film thickness was also found to be a critical factor that affects the degree of crosslinking. For example, thinner films (50 µm) displayed a higher wet modulus ca. 130 MPa compared to ca. 80 MPa for the thicker films (150 µm). Understanding the processing conditions allows access to a larger range of mechanical properties which is important for the design of new bio-inspired mechanical gradient nanocomposites. 
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  4. Abstract The Gravitational-Wave Transient Catalog (GWTC) is a collection of short-duration (transient) gravitational-wave signals identified by the LIGO–Virgo–KAGRA Collaboration in gravitational-wave data produced by the eponymous detectors. The catalog provides information about the identified candidates, such as the arrival time and amplitude of the signal and properties of the signal’s source as inferred from the observational data. GWTC is the data release of this dataset, and version 4.0 extends the catalog to include observations made during the first part of the fourth LIGO–Virgo–KAGRA observing run up until 2024 January 31. This Letter marks an introduction to a collection of articles related to this version of the catalog, GWTC-4.0. The collection of articles accompanying the catalog provides documentation of the methods used to analyze the data, summaries of the catalog of events, observational measurements drawn from the population, and detailed discussions of selected candidates. 
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    Free, publicly-accessible full text available December 9, 2026
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  6. Abstract We report the observation of gravitational waves from two binary black hole coalescences during the fourth observing run of the LIGO–Virgo–KAGRA detector network, GW241011 and GW241110. The sources of these two signals are characterized by rapid and precisely measured primary spins, nonnegligible spin–orbit misalignment, and unequal mass ratios between their constituent black holes. These properties are characteristic of binaries in which the more massive object was itself formed from a previous binary black hole merger and suggest that the sources of GW241011 and GW241110 may have formed in dense stellar environments in which repeated mergers can take place. As the third-loudest gravitational-wave event published to date, with a median network signal-to-noise ratio of 36.0, GW241011 furthermore yields stringent constraints on the Kerr nature of black holes, the multipolar structure of gravitational-wave generation, and the existence of ultralight bosons within the mass range 10−13–10−12eV. 
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    Free, publicly-accessible full text available October 28, 2026
  7. Abstract On 2023 November 23, the two LIGO observatories both detected GW231123, a gravitational-wave signal consistent with the merger of two black holes with masses 13 7 18 + 23 M and 10 1 50 + 22 M (90% credible intervals), at a luminosity distance of 0.7–4.1 Gpc, a redshift of 0.4 0 0.25 + 0.27 , and with a network signal-to-noise ratio of ∼20.7. Both black holes exhibit high spins— 0.9 0 0.19 + 0.10 and 0.8 0 0.52 + 0.20 , respectively. A massive black hole remnant is supported by an independent ringdown analysis. Some properties of GW231123 are subject to large systematic uncertainties, as indicated by differences in the inferred parameters between signal models. The primary black hole lies within or above the theorized mass gap where black holes between 60–130Mshould be rare, due to pair-instability mechanisms, while the secondary spans the gap. The observation of GW231123 therefore suggests the formation of black holes from channels beyond standard stellar collapse and that intermediate-mass black holes of mass ∼200Mform through gravitational-wave-driven mergers. 
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    Free, publicly-accessible full text available October 27, 2026
  8. Abstract We report on the development and extensive characterization of co-sputtered tantala–zirconia (Ta 2 O 5 -ZrO 2 ) thin films, with the goal to decrease coating Brownian noise in present and future gravitational-wave detectors. We tested a variety of sputtering processes of different energies and deposition rates, and we considered the effect of different values of cation ratio η = Zr/(Zr + Ta) and of post-deposition heat treatment temperature T a on the optical and mechanical properties of the films. Co-sputtered zirconia proved to be an efficient way to frustrate crystallization in tantala thin films, allowing for a substantial increase of the maximum annealing temperature and hence for a decrease of coating mechanical loss φ c . The lowest average coating loss was observed for an ion-beam sputtered sample with η = 0.485 ± 0.004 annealed at 800 °C, yielding φ ¯ c = 1.8 × 1 0 − 4 rad. All coating samples showed cracks after annealing. Although in principle our measurements are sensitive to such defects, we found no evidence that our results were affected. The issue could be solved, at least for ion-beam sputtered coatings, by decreasing heating and cooling rates down to 7 °C h −1 . While we observed as little optical absorption as in the coatings of current gravitational-wave interferometers (0.5 parts per million), further development will be needed to decrease light scattering and avoid the formation of defects upon annealing. 
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  9. The gravitational-wave signal GW250114 was observed by the two LIGO detectors with a network matched-filter signal-to-noise ratio of 80. The signal was emitted by the coalescence of two black holes with near-equal masses m 1 = 33.6 0.8 + 1.2 M and m 2 = 32.2 1.3 + 0.8 M , and small spins χ 1 , 2 0.26 (90% credibility) and negligible eccentricity e 0.03 . Postmerger data excluding the peak region are consistent with the dominant quadrupolar ( = | m | = 2 ) mode of a Kerr black hole and its first overtone. We constrain the modes’ frequencies to ± 30 % of the Kerr spectrum, providing a test of the remnant’s Kerr nature. We also examine Hawking’s area law, also known as the second law of black hole mechanics, which states that the total area of the black hole event horizons cannot decrease with time. A range of analyses that exclude up to five of the strongest merger cycles confirm that the remnant area is larger than the sum of the initial areas to high credibility. 
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    Free, publicly-accessible full text available September 1, 2026