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Jared O. Austin, Zihe Chen, Zachary N. Shaw, Khan W. Mahmud, Yingmei Liu
Communications Physics, Volume 4, pp 1-7; doi:10.1038/s42005-021-00562-y

Abstract:
Three-dimensional (3D) strongly correlated many-body systems, especially their dynamics across quantum phase transitions, are prohibitively difficult to be numerically simulated. We experimentally demonstrate that such complex many-body dynamics can be efficiently studied in a 3D spinor Bose–Hubbard model quantum simulator, consisting of antiferromagnetic spinor Bose–Einstein condensates confined in cubic optical lattices. We find dynamics and scaling effects beyond the scope of existing theories at superfluid–insulator quantum phase transitions, and highlight spin populations as a good observable to probe the quantum critical dynamics. Our data indicate that the scaling exponents are independent of the nature of the quantum phase transitions. We also conduct numerical simulations in lower dimensions using time-dependent Gutzwiller approximations, which qualitatively describe our observations.
Jiaru Fang, Xinwei Wei, Hongbo Li, , Xingxing Liu, Dongxin Xu, Tao Zhang, Hao Wan, Ping Wang,
Microsystems & Nanoengineering, Volume 7, pp 1-12; doi:10.1038/s41378-021-00247-0

Abstract:
Cardiovascular diseases have emerged as a significant threat to human health. However, drug development is a time-consuming and costly process, and few drugs pass the preclinical assessment of safety and efficacy. The existing patch-clamp, Ca2+ imaging, and microelectrode array technologies in cardiomyocyte models for drug preclinical screening have suffered from issues of low throughput, limited long-term assessment, or inability to synchronously and correlatively analyze electrical and mechanical signals. Here, we develop a high-content, dose-quantitative and time-dependent drug assessment platform based on an electrical-mechanical synchronized (EMS) biosensing system. This microfabricated EMS can record both firing potential (FP) and mechanical beating (MB) signals from cardiomyocytes and extract a variety of characteristic parameters from these two signals (FP–MB) for further analysis. This system was applied to test typical ion channel drugs (lidocaine and isradipine), and the dynamic responses of cardiomyocytes to the tested drugs were recorded and analyzed. The high-throughput characteristics of the system can facilitate simultaneous experiments on a large number of samples. Furthermore, a database of various cardiac drugs can be established by heat map analysis for rapid and effective screening of drugs. The EMS biosensing system is highly promising as a powerful tool for the preclinical development of new medicines.
Sokseiha Muy,
Nature Computational Science, Volume 1, pp 179-180; doi:10.1038/s43588-021-00043-w

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, , Rajesh K. Ahluwalia, Rangachary Mukundan, , , , Deborah J. Myers,
Nature Energy pp 1-13; doi:10.1038/s41560-021-00775-z

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, Michael F. Vansco,
Communications Chemistry, Volume 4, pp 1-4; doi:10.1038/s42004-021-00483-5

Abstract:
Criegee intermediates are reactive intermediates formed in Earth’s atmosphere through ozonolysis of alkenes. Here the authors outline the fundamental chemistry that influences their highly conformer- and substituent-dependent unimolecular and bimolecular reactivity, and discuss open questions of fundamental and atmospheric interest.
Anna M. Jalowska, ,
npj Climate and Atmospheric Science, Volume 4, pp 1-8; doi:10.1038/s41612-021-00176-9

Abstract:
In the past quarter-century, Eastern North Carolina (ENC) experienced several devastating tropical cyclones that led to widespread flooding and damage. Historical climate records reflect an increasing trend in the frequency and intensity of extreme rainfall events across the eastern U.S., which is projected to continue to increase throughout the twenty-first century. Potential changes to extreme rainfall across ENC are explored and quantified for 2025–2100 for three tropical cyclones using an approach based on relative changes in future extreme rainfall frequencies (return periods) from dynamically downscaled projections. Maximum rainfall intensities at ‘2100’ could increase locally by 168%, with widespread regional increases in total rainfall up to 44%. Although these magnitudes exceed the consensus in the literature, the values here are comparable to the most extreme rainfall events observed in the U.S. during the early twenty-first century, which suggests that the intensity of projected future events is already a present-day reality.
Tuan V. Vu, ,
npj Climate and Atmospheric Science, Volume 4, pp 1-8; doi:10.1038/s41612-021-00175-w

Abstract:
Knowledge of hygroscopic properties is essential to prediction of the role of aerosol in cloud formation and lung deposition. Our objective was to introduce a new approach to classify and predict the hygroscopic growth factors (Gfs) of specific atmospheric sub-micrometre particle types in a mixed aerosol based on measurements of the ensemble hygroscopic growth factors and particle number size distribution (PNSD). Based on a non-linear regression model between aerosol source contributions from PMF applied to the PNSD data set and the measured Gf values (at 90% relative humidity) of ambient aerosols, the estimated mean Gf values for secondary inorganic, mixed secondary, nucleation, urban background, fresh, and aged traffic-generated particle classes at a diameter of 110 nm were found to be 1.51, 1.34, 1.12, 1.33, 1.09 and 1.10, respectively. It is found possible to impute (fill) missing HTDMA data sets using a Random Forest regression on PNSD and meteorological conditions.
Jinjoo Park, Jun Hee Choi, Kiho Kong, Joo Hun Han, Jung Hun Park, NakHyun Kim, Eunsung Lee, Dongho Kim, Joosung Kim, Deukseok Chung, et al.
Nature Photonics pp 1-7; doi:10.1038/s41566-021-00783-1

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Juan P. Monzon, , Suroso Rahutomo, Fahmuddin Agus, Thomas Oberthür, , Antoine Couëdel, Juan I. Rattalino Edreira, Willem Hekman, Rob Van Den Beuken, et al.
Nature Sustainability pp 1-7; doi:10.1038/s41893-021-00700-y

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Raveena Bhambra
Biopharma Dealmakers; doi:10.1038/d43747-021-00029-7

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Zhuoying Zhang, Minjun Shi, Kevin Z. Chen, Hong Yang,
npj Urban Sustainability, Volume 1, pp 1-10; doi:10.1038/s42949-020-00012-8

Abstract:
The formation of world-class megalopolises has been a goal of urban development agencies around the world owing to their economic advantages. On their bids of becoming a world-class megalopolis, water availability is a factor that requires consideration. China has set an ambitious goal of developing a world-class megalopolis in the water-scarce Beijing-Tianjin-Hebei (BTH) region. This study investigates the water challenge the BTH region faces and the effects of main water conservation measures in the region towards the goal. An inter-city input–output model was constructed for identifying the water gap in the region and analyzing the effectiveness of main water conservation measures under various scenarios. The results indicate a significant gap between the water required to achieve the goal of becoming a world-class megalopolis and the region’s available water resources. Although proposed water conservation measures of improving water use efficiency and reducing agricultural water use provide a modest improvement, the amount of water required for urban development still exceeds the availability. The study emphasizes the significance of agricultural water use reduction in Hebei through crop system replacement from water-intensive winter wheat to water-saving crops. The study also proposes an alternative option of adjusting the development plan through redefining the boundary of the BTH megalopolis by excluding part of cities in Hebei. The results of this study contribute to a better understanding of the effect of water scarcity on urban development and thus provide references for other water-scarce regions with ambitious urban development goals.
Felix T. Bölle, August E. G. Mikkelsen, , ,
npj Computational Materials, Volume 7, pp 1-8; doi:10.1038/s41524-021-00505-9

Abstract:
One-dimensional inorganic nanotubes hold promise for technological applications due to their distinct physical/chemical properties, but so far advancements have been hampered by difficulties in producing single-wall nanotubes with a well-defined radius. In this work we investigate, based on Density Functional Theory (DFT), the formation mechanism of 135 different inorganic nanotubes formed by the intrinsic self-rolling driving force found in asymmetric 2D Janus sheets. We show that for isovalent Janus sheets, the lattice mismatch between inner and outer atomic layers is the driving force behind the nanotube formation, while in the non-isovalent case it is governed by the difference in chemical bond strength of the inner and outer layer leading to steric effects. From our pool of candidate structures we have identified more than 100 tubes with a preferred radius below 35 Å, which we hypothesize can display distinctive properties compared to their parent 2D monolayers. Simple descriptors have been identified to accelerate the discovery of small-radius tubes and a Bayesian regression approach has been implemented to assess the uncertainty in our predictions on the radius.
, William M. Adams, , Sharachchandra Lele, ,
Nature Sustainability pp 1-6; doi:10.1038/s41893-021-00694-7

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, Billy Hall, J. Morgan Grove, , Laura A. Ogden, Carissa Aoki, , Jarlath P. M. O’Neil-Dunne
npj Urban Sustainability, Volume 1, pp 1-9; doi:10.1038/s42949-021-00022-0

Abstract:
Redlining was a racially discriminatory housing policy established by the federal government’s Home Owners’ Loan Corporation (HOLC) during the 1930s. For decades, redlining limited access to homeownership and wealth creation among racial minorities, contributing to a host of adverse social outcomes, including high unemployment, poverty, and residential vacancy, that persist today. While the multigenerational socioeconomic impacts of redlining are increasingly understood, the impacts on urban environments and ecosystems remain unclear. To begin to address this gap, we investigated how the HOLC policy administered 80 years ago may relate to present-day tree canopy at the neighborhood level. Urban trees provide many ecosystem services, mitigate the urban heat island effect, and may improve quality of life in cities. In our prior research in Baltimore, MD, we discovered that redlining policy influenced the location and allocation of trees and parks. Our analysis of 37 metropolitan areas here shows that areas formerly graded D, which were mostly inhabited by racial and ethnic minorities, have on average ~23% tree canopy cover today. Areas formerly graded A, characterized by U.S.-born white populations living in newer housing stock, had nearly twice as much tree canopy (~43%). Results are consistent across small and large metropolitan regions. The ranking system used by Home Owners’ Loan Corporation to assess loan risk in the 1930s parallels the rank order of average percent tree canopy cover today.
Michael W. Swift, James W. Swift,
Nature Computational Science, Volume 1, pp 212-220; doi:10.1038/s43588-021-00041-y

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, Ming Yuan
Nature Computational Science, Volume 1, pp 177-178; doi:10.1038/s43588-021-00046-7

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Nature Computational Science, Volume 1, pp 165-165; doi:10.1038/s43588-021-00054-7

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, Suzanne M. Rosier,
Nature Climate Change pp 1-3; doi:10.1038/s41558-021-01012-x

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, Mark A. Cane, Amy C. Clement,
npj Climate and Atmospheric Science, Volume 4, pp 1-8; doi:10.1038/s41612-021-00177-8

Abstract:
The North Atlantic Oscillation (NAO) is predictable in climate models at near-decadal timescales. Predictive skill derives from ocean initialization, which can capture variability internal to the climate system, and from external radiative forcing. Herein, we show that predictive skill for the NAO in a very large uninitialized multi-model ensemble is commensurate with previously reported skill from a state-of-the-art initialized prediction system. The uninitialized ensemble and initialized prediction system produce similar levels of skill for northern European precipitation and North Atlantic SSTs. Identifying these predictable components becomes possible in a very large ensemble, confirming the erroneously low signal-to-noise ratio previously identified in both initialized and uninitialized climate models. Though the results here imply that external radiative forcing is a major source of predictive skill for the NAO, they also indicate that ocean initialization may be important for particular NAO events (the mid-1990s strong positive NAO), and, as previously suggested, in certain ocean regions such as the subpolar North Atlantic ocean. Overall, we suggest that improving climate models’ response to external radiative forcing may help resolve the known signal-to-noise error in climate models.
Yao Chen, Mengjiao Xu, Jieya Wen, Yu Wan, Qingfei Zhao, Xia Cao, Yong Ding, Zhong Lin Wang, ,
Nature Sustainability pp 1-9; doi:10.1038/s41893-021-00697-4

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, Marck Oduber, , Jorge Ridderstaat
Nature Sustainability pp 1-10; doi:10.1038/s41893-021-00698-3

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Nature Sustainability pp 1-7; doi:10.1038/s41893-021-00699-2

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Monika Egerer, , , Niki Frantzeskaki, , Harini Nagendra,
npj Urban Sustainability, Volume 1, pp 1-9; doi:10.1038/s42949-021-00024-y

Abstract:
Urban social–ecological–technological systems (SETS) are dynamic and respond to climate pressures. Change involves alterations to land and resource management, social organization, infrastructure, and design. Research often focuses on how climate change impacts urban SETS or on the characteristics of urban SETS that promote climate resilience. Yet passive approaches to urban climate change adaptation may disregard active SETS change by urban residents, planners, and policymakers that could be opportunities for adaptation. Here, we use evidence of urban social, ecological, and technological change to address how SETS change opens windows of opportunity to improve climate change adaptation.
Yanhong Chen, , Meng Duan, Hongmei Gong, Pengyuan Guo
Communications Earth & Environment, Volume 2, pp 1-9; doi:10.1038/s43247-021-00135-5

Abstract:
The iron isotope contrast between mid-ocean ridge basalts and abyssal peridotites is far greater than can be explained by mantle melting alone. Here we investigate a suite of mid-ocean ridge magma chamber rocks sampled by the Ocean Drilling Project Hole 735B in the Atlantis Bank of the Indian Ocean. We report major and trace element geochemistry from these rocks and measure their iron isotope compositions to investigate the potential role of fractional crystallization during melt evolution. We observe a large range of δ56Fe that defines a significant inverse curvilinear correlation with bulk rock MgO/FeOT. These data confirm that δ56Fe in the melt increases as fractional crystallization proceeds but, contrary to expectation, δ56Fe continues to increase even when oxides begin to crystallize. We conclude that iron isotope fractionation through fractional crystallization during the evolution of mid-ocean ridge basalts from abyssal peridotites reconciles the disparity in isotopic compositions between these two lithologies.
Genetics in Medicine pp 1-1; doi:10.1038/s41436-021-01154-5

Nature Reviews Methods Primers, Volume 1, pp 1-1; doi:10.1038/s43586-021-00027-0

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Nature Reviews Methods Primers, Volume 1, pp 1-29; doi:10.1038/s43586-021-00021-6

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Paraj Titum, Kevin Schultz, , Gregory Quiroz, B. D. Clader
npj Quantum Information, Volume 7, pp 1-8; doi:10.1038/s41534-021-00383-5

Abstract:
Quantum systems are promising candidates for sensing of weak signals as they can be highly sensitive to external perturbations, thus providing excellent performance when estimating parameters of external fields. However, when trying to detect weak signals that are hidden by background noise, the signal-to-noise ratio is a more relevant metric than raw sensitivity. We identify, under modest assumptions about the statistical properties of the signal and noise, the optimal quantum control to detect an external signal in the presence of background noise using a quantum sensor. Interestingly, for white background noise, the optimal solution is the simple and well-known spin-locking control scheme. Using numerical techniques, we further generalize these results to the case of background noise with a Lorentzian spectrum. We show that for increasing correlation time, pulse based sequences, such as CPMG, are also close to the optimal control for detecting the signal, with the crossover dependent on the signal frequency. These results show that an optimal detection scheme can be easily implemented in near-term quantum sensors without the need for complicated pulse shaping.
Junsoo Park, Yi Xia, ,
npj Computational Materials, Volume 7, pp 1-9; doi:10.1038/s41524-021-00512-w

Abstract:
Understanding how to optimize electronic band structures for thermoelectrics is a topic of long-standing interest in the community. Prior models have been limited to simplified bands and/or scattering models. In this study, we apply more rigorous scattering treatments to more realistic model band structures—upward-parabolic bands that inflect to an inverted-parabolic behavior—including cases of multiple bands. In contrast to common descriptors (e.g., quality factor and complexity factor), the degree to which multiple pockets improve thermoelectric performance is bounded by interband scattering and the relative shapes of the bands. We establish that extremely anisotropic “flat-and-dispersive” bands, although best-performing in theory, may not represent a promising design strategy in practice. Critically, we determine optimum bandwidth, dependent on temperature and lattice thermal conductivity, from perfect transport cutoffs that can in theory significantly boost z T beyond the values attainable through intrinsic band structures alone. Our analysis should be widely useful as the thermoelectric research community eyes z T > 3.
, , Yutao Li, Yun Guang Zhu, Rui Gao, Xianghui Xiao, Wenxu Zhang, Sipei Li, , Yang Yu, et al.
Nature Energy pp 1-11; doi:10.1038/s41560-021-00792-y

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Communications Earth & Environment, Volume 2, pp 1-16; doi:10.1038/s43247-021-00132-8

Abstract:
In the Arctic, subglacial discharge plumes have been recently recognised as a key driver of fjord-scale circulation. However, owing to the danger that accompanies prolonged observations at plumes, no time-series data are available. Here, we present results showing the chaotic and irregular dynamics of a plume revealed by continuous subsurface monitoring directly on the calving front of a Greenlandic glacier. We found intense fluctuations in the current and scalars (temperature and salinity), recognised shallow and deep tidal modulation and anomalies due to co-seismic drainage of an ice-dammed lake via the plume, and observed rapid and marked changes in stratification. Our analysis uncovers energy cascade intermittency with coherent structures, corresponding to upwelling pulses of warm water. Prior to our research, in situ evidence of time-variable plume dynamics was absent and limited to snapshots, therefore, our study and approach will enable researchers to transition from an episodic view of a plume to a continuously updated image.
Ridwan F. Hossain, Misook Min, Liang-Chieh Ma, Shambhavi R. Sakri, Anupama B. Kaul
npj 2D Materials and Applications, Volume 5, pp 1-12; doi:10.1038/s41699-021-00214-3

Abstract:
Silver (Ag) and graphene (Gr) inks have been engineered to serve as efficient electrical contacts for solution-processed two-dimensional (2D) organo-halide (CH3(CH2)3NH3)2(CH3NH3) n−1Pb n I3n+1 (n = 4) layered perovskites, where all inkjet-printed heterostructure photodetectors (PDs) were fabricated on polyimide (PI) substrates. To date, limited studies exist that compare multiple contacts to enable high-performance engineered contacts to 2D perovskites. Moreover, of these few reports, such studies have examined contacts deposited using vapor-based techniques that are time-consuming and require expensive, specialized deposition equipment. In this work, we report on the inkjet printed, direct contact study of solution-processed, 2D perovskite-based PDs formed on flexible PI substrates. Solution processing offers a cost-effective, expedient route for inkjet printing Gr and Ag using a dispersion chemistry developed in this work that is compatible with the underlying 2D perovskite layer to construct the PDs. The wavelength λ-dependent photocurrent I p peaked at λ ~ 630 nm for both PDs, consistent with the bandgap E g ~ 1.96 eV for our semiconducting 2D perovskite absorber layer. The external quantum efficiency was determined to be 103% for Ag-perovskite PDs, where strain-dependent bending tests were also conducted to reveal the opto-mechanical modulation of the photocurrent in our devices.
Nature Climate Change pp 1-2; doi:10.1038/s41558-021-01013-w

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, Ruxue Li, Pui Ying Choy, Mengqing Xie, Jiahui Duan, Qiang Tang, ,
Communications Chemistry, Volume 4, pp 1-10; doi:10.1038/s42004-021-00478-2

Abstract:
Existing synthetic routes for accessing dibenzofuran core have intrinsic regioselectivity, limiting the substitution patterns available in heteropolycyclic arene products. Here we report a double 1,4-conjugate addition/intramolecular annulation cascade reaction between propargylamines and two equivalents of imidazolium methylides that allows efficient access of structurally versatile dibenzofurans. This transition metal-free protocol proceeds smoothly under bench-top air atmosphere and offers easy manipulation of substituents on the dibenzofuran core, and also provides good-to-excellent product yields with good functional group tolerance, particularly the –Br and –Cl groups which are often incompatible with existing metal-catalyzed C–C and/or C–O bond ring-forming processes. It is worth noting that ladder-type π-systems with all-arene quarternary carbon structure can be straightforwardly generated upon simple late-stage functionalization.
Bin Li, Peijun Chen, Hongfu Liu, Weisi Guo, , Junzhao Du, Chenglin Zhao, Jun Zhang
Nature Computational Science, Volume 1, pp 221-228; doi:10.1038/s43588-021-00039-6

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Nature Computational Science, Volume 1, pp 166-168; doi:10.1038/s43588-021-00040-z

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Shiqiang Wang
Nature Computational Science, Volume 1, pp 181-182; doi:10.1038/s43588-021-00042-x

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, , , Kamal Obbad, Kevin Quinn, Mickaël Misbach, Jared Gollhardt, Joao Sa, , George M. Church, et al.
Nature Computational Science, Volume 1, pp 192-198; doi:10.1038/s43588-021-00044-9

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, Joshua R. Waite, Chih-Hsuan Yang, Balaji Sesha Sarath Pokuri, Ameya Joshi, Aditya Balu, Chinmay Hegde, ,
Nature Computational Science, Volume 1, pp 229-238; doi:10.1038/s43588-021-00045-8

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Nature Computational Science, Volume 1, pp 175-176; doi:10.1038/s43588-021-00047-6

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Rebecca Knowles, ,
Nature Computational Science, Volume 1, pp 169-171; doi:10.1038/s43588-021-00048-5

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Panagiotis C. Lingos, Myron D. Kapetanakis, ,
Communications Physics, Volume 4, pp 1-9; doi:10.1038/s42005-021-00561-z

Abstract:
Light–wave quantum electronics utilizes the oscillating carrier wave to control electronic properties with intense laser pulses. Without direct light–spin interactions, however, magnetic properties can only be indirectly affected by the light electric field, mostly at later times. A grand challenge is how to establish a universal principle for quantum control of charge and spin fluctuations, which can allow for faster-than-THz clock rates. Using quantum kinetic equations for the density matrix describing non–equilibrium states of Hubbard quasiparticles, here we show that time–periodic modulation of electronic hopping during few cycles of carrier–wave oscillations can dynamically steer an antiferromagnetic insulating state into a metalic state with transient magnetization. While nonlinearities associated with quasi-stationary Floquet states have been achieved before, magneto–electronics based on quasiparticle acceleration by time–periodic multi–cycle fields and quantum femtosecond/attosecond magnetism via strongly–coupled charge–spin quantum excitations represents an alternative way of controlling magnetic moments in sync with quantum transport.
Nitish Chandra, Natalia M. Litchinitser
Communications Physics, Volume 4, pp 1-9; doi:10.1038/s42005-021-00560-0

Abstract:
First-order supersymmetry (SUSY) adapted from quantum physics to optics manipulates the transverse refractive index of guided-wave structures using a nodeless ground state to obtain intended modal content. Second-order SUSY can be implemented using excited states as a seed function, even with the presence of nodes. We apply second-order SUSY to the coupled-mode equations by recasting them as the Dirac equation. This enables the engineering of non-uniform surface corrugation of waveguide gratings and coupling potential, which encapsulates the Bragg interaction between counterpropagating modes. We show that the added bound states appear as transmission resonances inside the bandgap of the finite grating. The probability density of each state provides the longitudinal modal energy distribution in the waveguide grating. The smooth modal energy distribution of the states obtained by SUSY can mitigate longitudinal spatial hole burning in high power laser operation. We demonstrate that degenerate second-order SUSY allows the insertion of two states, which can coalesce into Friedrich-Wintgen type bound states in the continuum (BIC) for one-dimensional grating. We show that the eigenfunctions of BIC states are doubly degenerate with opposite parity, and the corresponding transmission resonances have phase changes of 2π across these states. One-dimensional BIC states can find application as robust high-speed all-optical temporal integrators by lifting restrictions on the length of various sections in the phase-shifted grating.
, Dagmar Haase, Pippin Anderson, , Julie Goodness, , , , ,
npj Urban Sustainability, Volume 1, pp 1-8; doi:10.1038/s42949-020-00008-4

Abstract:
To ensure that cities and urban ecosystems support human wellbeing and overall quality of life we need conceptual frameworks that can connect different scientific disciplines as well as research and practice. In this perspective, we explore the potential of a traits framework for understanding social-ecological patterns, dynamics, interactions, and tipping points in complex urban systems. To do so, we discuss what kind of framing, and what research, that would allow traits to (1) link the sensitivity of a given environmental entity to different globally relevant pressures, such as land conversion or climate change to its social-ecological consequences; (2) connect to human appraisal and diverse bio-cultural sense-making through the different cues and characteristics people use to detect change or articulate value narratives, and (3) examine how and under what conditions this new approach may trigger, inform, and support decision making in land/resources management at different scales.
Veton Haziri, Tu Pham Tran Nha, ,
Communications Chemistry, Volume 4, pp 1-5; doi:10.1038/s42004-021-00481-7

Abstract:
Gas bubbles grown on solids are more than simple vehicles for gas transport. They are charged particles with surfaces populated with exchangeable ions. We here unveil a gateway for alkali metal ion transport between oxygen bubbles and semi-conducting (iron oxide) and conducting (gold) surfaces. This gateway was identified by electrochemical impedance spectroscopy using an ultramicroelectrode in direct contact with bubbles pinned onto these solid surfaces. We show that this gateway is naturally present at open circuit potentials, and that negative electric potentials applied through the solid enhance ion transport. In contrast, positive potentials or contact with an insulator (polytetrafluoroethylene) attenuates transport. We propose that this gateway is generated by overlapping electric double layers of bubbles and surfaces of contrasting (electro)chemical potentials. Knowledge of this ion transfer phenomenon is essential for understanding electric shielding and reaction overpotential caused by bubbles on catalysts. This has especially important ramifications for predicting processes including mineral flotation, microfluidics, pore water geochemistry, and fuel cell technology.
, , Yongji Gong, Pulickel Ajayan, , Matthew F. Chisholm, , ,
npj Computational Materials, Volume 7, pp 1-9; doi:10.1038/s41524-021-00507-7

Abstract:
Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re1- x S2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.
, , Ying Su, , Filip Ronning, , Joe D. Thompson, Shi-Zeng Lin,
Communications Physics, Volume 4, pp 1-8; doi:10.1038/s42005-021-00558-8

Abstract:
Unusual magnetic textures can be stabilized in f-electron materials due to the interplay between competing magnetic interactions, complex Fermi surfaces, and crystalline anisotropy. Here we investigate CeAuSb2, an f-electron incommensurate antiferromagnet hosting both single-Q and double-Q spin textures as a function of magnetic fields (H) applied along the c axis. Experimentally, we map out the field-temperature phase diagram via electrical resistivity and thermal expansion measurements. Supported by calculations of a Kondo lattice model, we attribute the puzzling magnetoresistance enhancement in the double-Q phase to the localization of the electronic wave functions caused by the incommensurate magnetic texture.
Ana H. Lobo, Andrew F. Thompson, Steven D. Vance,
Nature Geoscience pp 1-5; doi:10.1038/s41561-021-00706-3

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, John Chiaverini, Jeremy M. Sage,
Nature Reviews Materials pp 1-14; doi:10.1038/s41578-021-00292-1

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Yuliang Chen, Changlong Hu, Liyan Xie, Xiaoyu Zhou, Bowen Li, Hui Ren, Liang Li, Guobin Zhang, Jun Jiang,
Communications Materials, Volume 2, pp 1-7; doi:10.1038/s43246-021-00141-2

Abstract:
Optical relief gratings are usually composed of physical grooves with a constant periodicity, and typically suffer from light scattering, are mechanically fragile and are single function. Here, we develop WO3-based gratings by using a recently reported electron-proton synergistic doping route under ambient conditions. This doping strategy is compatible with conventional ultraviolet photolithography, and we show that it induces a selective insulator-metal phase transition and coloration in WO3, with spatial-resolution up to micron-scale. Due to the electrochromic-induced-contrast, a WO3 volume phase grating without grooves and a WO3 relief grating with tunable periodicity are demonstrated. Both gratings can be rewritten after a reset procedure by annealing in air. Our experiments demonstrate WO3–based gratings and an attractive technique for rewritable oxides.
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