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  1. Abstract

    Motivated by the recent observation of superconductivity withTc ~ 80 K in pressurized La3Ni2O71, we explore the structural and electronic properties ofA3Ni2O7bilayer nickelates (A = La-Lu, Y, Sc) as a function of pressure (0–150 GPa) from first principles including a Coulomb repulsion term. At ~ 20 GPa, we observe an orthorhombic-to-tetragonal transition in La3Ni2O7at variance with x-ray diffraction data, which points to so-far unresolved complexities at the onset of superconductivity, e.g., charge doping by variations in the oxygen stoichiometry. We compile a structural phase diagram that establishes chemical and external pressure as distinct and counteracting control parameters. We find unexpected correlations betweenTcand thein-planeNi-O-Ni bond angles for La3Ni2O7. Moreover, two structural phases with significantc+octahedral rotations and in-plane bond disproportionations are uncovered forA = Nd-Lu, Y, Sc that exhibit a pressure-driven electronic reconstruction in the Niegmanifold. By disentangling the involvement of basal versus apical oxygen states at the Fermi surface, we identify Tb3Ni2O7as an interesting candidate for superconductivity at ambient pressure. These results suggest a profound tunability of the structural and electronic phases in this novel materials class and are key for a fundamental understanding of the superconductivity mechanism.

     
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  2. Abstract

    Groundwater resources are vital to ecosystems and livelihoods. Excessive groundwater withdrawals can cause groundwater levels to decline1–10, resulting in seawater intrusion11, land subsidence12,13, streamflow depletion14–16and wells running dry17. However, the global pace and prevalence of local groundwater declines are poorly constrained, because in situ groundwater levels have not been synthesized at the global scale. Here we analyse in situ groundwater-level trends for 170,000 monitoring wells and 1,693 aquifer systems in countries that encompass approximately 75% of global groundwater withdrawals18. We show that rapid groundwater-level declines (>0.5 m year−1) are widespread in the twenty-first century, especially in dry regions with extensive croplands. Critically, we also show that groundwater-level declines have accelerated over the past four decades in 30% of the world’s regional aquifers. This widespread acceleration in groundwater-level deepening highlights an urgent need for more effective measures to address groundwater depletion. Our analysis also reveals specific cases in which depletion trends have reversed following policy changes, managed aquifer recharge and surface-water diversions, demonstrating the potential for depleted aquifer systems to recover.

     
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    Free, publicly-accessible full text available January 25, 2025
  3. Abstract

    Manufacturing custom three-dimensional (3D) carbon functional materials is of utmost importance for applications ranging from electronics and energy devices to medicine, and beyond. In lieu of viable eco-friendly synthesis pathways, conventional methods of carbon growth involve energy-intensive processes with inherent limitations of substrate compatibility. The yearning to produce complex structures, with ultra-high aspect ratios, further impedes the quest for eco-friendly and scalable paths toward 3D carbon-based materials patterning. Here, we demonstrate a facile process for carbon 3D printing at room temperature, using low-power visible light and a metal-free catalyst. Within seconds to minutes, this one-step photocatalytic growth yields rod-shaped microstructures with aspect ratios up to ~500 and diameters below 10 μm. The approach enables the rapid patterning of centimeter-size arrays of rods with tunable height and pitch, and of custom complex 3D structures. The patterned structures exhibit appealing luminescence properties and ohmic behavior, with great potential for optoelectronics and sensing applications, including those interfacing with biological systems.

     
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  4. Abstract

    The functionality of atomic quantum emitters is intrinsically linked to their host lattice coordination. Structural distortions that spontaneously break the lattice symmetry strongly impact their optical emission properties and spin-photon interface. Here we report on the direct imaging of charge state-dependent symmetry breaking of two prototypical atomic quantum emitters in mono- and bilayer MoS2by scanning tunneling microscopy (STM) and non-contact atomic force microscopy (nc-AFM). By changing the built-in substrate chemical potential, different charge states of sulfur vacancies (VacS) and substitutional rhenium dopants (ReMo) can be stabilized. Vac$${}_{{{{{{{{\rm{S}}}}}}}}}^{-1}$$S1as well as Re$${}_{{{{{{{{\rm{Mo}}}}}}}}}^{0}$$Mo0and Re$${}_{{{{{{{{\rm{Mo}}}}}}}}}^{-1}$$Mo1exhibit local lattice distortions and symmetry-broken defect orbitals attributed to a Jahn-Teller effect (JTE) and pseudo-JTE, respectively. By mapping the electronic and geometric structure of single point defects, we disentangle the effects of spatial averaging, charge multistability, configurational dynamics, and external perturbations that often mask the presence of local symmetry breaking.

     
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  5. Free, publicly-accessible full text available November 16, 2024
  6. Abstract

    All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predictive accuracy. To address this challenge, we combine effective two- and three-body potentials in a cubic B-spline basis with regularized linear regression to obtain machine-learning potentials that are physically interpretable, sufficiently accurate for applications, as fast as the fastest traditional empirical potentials, and two to four orders of magnitude faster than state-of-the-art machine-learning potentials. For data from empirical potentials, we demonstrate the exact retrieval of the potential. For data from density functional theory, the predicted energies, forces, and derived properties, including phonon spectra, elastic constants, and melting points, closely match those of the reference method. The introduced potentials might contribute towards accurate all-atom dynamics simulations of large atomistic systems over long-time scales.

     
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  7. Foveated imaging provides a better tradeoff between situational awareness (field of view) and resolution, and is critical in long wavelength infrared regimes because of the size, weight, power, and cost of thermal sensors. We demonstrate computational foveated imaging by exploiting the ability of a meta-optical frontend to discriminate between different polarization states and a computational backend to reconstruct the captured image/video. The frontend is a three-element optic: the first element, which we call the “foveal” element, is a metalens that focuses s-polarized light at a distance off1without affecting the p-polarized light; the second element, which we call the “perifovea” element, is another metalens that focuses p-polarized light at a distance off2without affecting thes-polarized light. The third element is a freely rotating polarizer that dynamically changes the mixing ratios between the two polarization states. Both the foveal element (focal length=150mm; diameter=75mm) and the perifoveal element (focal length=25mm; diameter=25mm) were fabricated as polarization-sensitive, all-silicon, meta surfaces resulting in a large-aperture, 1:6 foveal expansion, thermal imaging capability. A computational backend then utilizes a deep image prior to separate the resultant multiplexed image or video into a foveated image consisting of a high resolution center and a lower-resolution large field of view context. We build a prototype system and demonstrate 12 frames per second real-time, thermal, foveated image and video capture..

     
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  8. Free, publicly-accessible full text available July 20, 2024
  9. Climate and continental configuration combined to make Early Paleozoic animals susceptible to extinction. 
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    Free, publicly-accessible full text available September 1, 2024
  10. Abstract

    Previous research has shown that African jewel fish (Hemichromis bimaculatus) recognize pair-bonded mates during their exchanges of egg-guarding duties. The current research examined the perceptual cues for face recognition by comparing two face models displaying anatomically realistic arrangements of blue iridophores derived from discriminant function analysis of distinct sibling groups. Four groups each consisting of 9 subadults were examined using a narrow compartment restraining lateral movement where face models were presented at eye level for eight trials. Because respiratory movement of the operculum can mechanically displace the eye thereby shifting the retinal image, jewel fish reduce their respiration rate during increased attention. When two experimental groups were presented with the same face models on four trials following initial model presentations, both groups exhibited stable respiration rates indicative of model habituation. When the habituated face models were switched to novel face models on the fifth trial, the rates of respiration decreased as measured by reliable increases in the elapsed times of opercular beats. Switching the models back to the habituated models on the sixth trial caused reliable decreases in the elapsed times of opercular beats, resembling the earlier trials for the habituated models. Switching the face models again to the formerly novel models on the seventh trial produced respiration rates that resembled those of the habituated models. The two control groups viewing the same models for all eight trials exhibited no substantial change in respiration rates. Together, these findings indicate that jewel fish can learn to recognize novel faces displaying unique arrangements of iridorphores after one trial of exposure.

     
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