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At least 451 records · Page 25

Evolutionary history, potential intermediate animal host, and cross-species analyses of SARS-CoV-2

To investigate the evolutionary history of the recent outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) in China, a total of 70 genomes of virus strains from China and elsewhere with sampling dates between 24 December 2019 and 3 February 2020 were analyzed. To explore the potential intermediate animal host of the SARS-CoV-2 virus, we reanalyzed virome data sets from pangolins and representative SARS-related coronaviruses isolates from bats, with particular attention paid to the spike glycoprotein gene. We performed phylogenetic, split network, transmission network, likelihood-mapping, and comparative analyses of the genomes. Additionally, based on Bayesian time-scaled phylogenetic analysis using the tip-dating method, we estimated the time to the most recent common ancestor and evolutionary rate of SARS-CoV-2, which ranged from 22 to 24 November 2019 and 1.19 to 1.31 × 10 -3 substitutions per site per year, respectively. Our results also revealed that the BetaCoV/bat/Yunnan/RaTG13/2013 virus was more similar to the SARS-CoV-2 virus than the coronavirus obtained from the two pangolin samples (SRR10168377 and SRR10168378). We also identified a unique peptide (PRRA) insertion in the human SARS-CoV-2 virus, which may be involved in the proteolytic cleavage of the spike protein by cellular proteases, and thus could impact host range and transmissibility. Interestingly, the coronavirus carried by pangolins did not have the RRAR motif. Therefore, we concluded that the human SARS-CoV-2 virus, which is responsible for the recent outbreak of COVID-19, did not come directly from pangolins.

59 BASIC BIOLOGICAL SCIENCES↗

SERS and the scientific career of Richard P. Van Duyne (1945–2019)

This article describes the scientific career of our dear friend Richard P. Van Duyne. Rick was the discoverer of surface-enhanced Raman spectroscopy (SERS), and over the period from the mid-1970s until his death in 2019, he served as both the intellectual leader of the field, and the technical genius who pushed the field forward through his numerous inventions and discoveries. Rick's work went through many phases, and even involved a significant period of inactivity that Rick was able to break out of, but especially after 2000, there was a period of incredible creativity that ultimately led to a detailed understanding of what the SERS enhancement factor is all about and also led to fabrication techniques for making optimum SERS substrates such that applications of SERS to a wide variety of real-world problems in sensing became possible. In addition, Rick's SERS work spawned numerous related technologies, including index of refraction sensing based on localized surface plasmon resonance (LSPR) measurements, and the extension of SERS to its tip-enhanced cousin TERS, to electrochemical versions of SERS and TERS, and to ultrafast nonlinear techniques. The practical applications he pursued included diagnostics for diseases such as cancer, hand-held glucose sensing, and SERS studies related to art conservation. Furthermore, Rick's legacy will probably be best known through the numerous students, postdocs, and collaborators that passed through his lab and who are now active researchers in areas related to SERS at universities and industrial labs around the world.

47 OTHER INSTRUMENTATION↗

Efficient co-solution of time step size and independent state in simulations of fluid-driven fracture propagation with embedded meshes

Here we present an efficient time-continuation scheme for fluid-driven fracture propagation problems in the extended finite element method framework. The approach applies a monolithic solution strategy to a fully coupled and implicit approximation of hydro-mechanical systems in conjunction with simultaneous linear elastic propagation of multiple fractures. At the end of each time step, the process ensures that the weakest fracture tip is in an equilibrium propagation regime. Furthermore, the solution process provides an initialization procedure for the newly created fracture spaces and an a priori estimate of the stress intensity factor growth rate, improving simulation robustness, and efficiency. The solution process is validated using the Kristianovich-Geertsma-de Klerk analytical solution under the toughness- and viscosity-dominated regimes. It is also extended to and demonstrated on problems with multiple fractures undergoing simultaneous propagation with stress shadow interactions. Numerical examples demonstrate that the solution process can reduce the required computational cost by one order of magnitude compared to other existing methods.

42 ENGINEERING↗

Automated Experiments of Local Non–Linear Behavior in Ferroelectric Materials

An automated experiment in multimodal imaging to probe structural, chemical, and functional behaviors in complex materials and elucidate the dominant physical mechanisms that control device function is developed and implemented. Here, the emergence of non-linear electromechanical responses in piezoresponse force microscopy (PFM) is explored. Non-linear responses in PFM can originate from multiple mechanisms, including intrinsic material responses often controlled by domain structure, surface topography that affects the mechanical phenomena at the tip-surface junction, and the presence of surface contaminants. Using an automated experiment to probe the origins of non-linear behavior in ferroelectric lead titanate (PTO) and ferroelectric Al 0.93 B 0.07 N films, it is found that PTO shows asymmetric nonlinear behavior across a/c domain walls and a broadened high nonlinear response region around c/c domain walls. In contrast, for Al 0.93 B 0.07 N, well-poled regions show high linear piezoelectric responses, when paired with low non-linear responses regions that are multidomain show low linear responses and high nonlinear responses. It is shown that formulating dissimilar exploration strategies in deep kernel learning as alternative hypotheses allows for establishing the preponderant physical mechanisms behind the non-linear behaviors, suggesting that automated experiments can potentially discern between competing physical mechanisms. Furthermore, this technique can also be extended to electron, probe, and chemical imaging.

36 MATERIALS SCIENCE↗

Synthesis‐Related Nanoscale Defects in Mo‐Based Janus Monolayers Revealed by Cross‐Correlated AFM and TERS Imaging

2D Janus transition metal dichalcogenides (TMDs) are promising candidates for various applications including non-linear optics, energy harvesting, and catalysis. These materials are usually synthesized via chemical conversion of pristine TMDs. Nanometer-scale characterization of the obtained Janus materials’ morphology and local composition is crucial for both the synthesis optimization and the future device applications. In this work, we present the results of cross-correlated atomic force microscopy (AFM) and tip-enhanced Raman spectroscopy (TERS) study of Janus monolayers synthesized by the hydrogen plasma-assisted chemical conversion of MoSe 2 and MoS 2 . We demonstrate that the choice of both the growth substrate and the starting TMD influences the residual strain, thereby shaping the nanoscale morphology of the resulting Janus material. Furthermore, by employing TERS imaging, we show the presence of nanoscale islands (≈20 nm across) of MoSe 2 - ${\mathrm{Mo}}_{{\mathrm{Se}}}^{\mathrm{S}}$ (MoS 2 -${\mathrm{Mo}}_{\mathrm{S}}^{{\mathrm{Se}}}$) vertical heterostructures originating from the bilayer nanoislands in the precursor monolayer crystals. The understanding of the origins of nanoscale defects in Janus TMDs revealed in this study can help with further optimization of the Janus conversion process towards uniform and wrinkle-/crack-free Janus materials. Moreover, this work shows that cross-correlated AFM and TERS imaging is a powerful and accessible method for studying nanoscale composition and defects in Janus TMD monolayers.

2D materials↗

Strain Field Around Individual Dislocations Controls Failure

Understanding material failure on a fundamental level is a key aspect in the design of robust structural materials, especially for metals and alloys capable to undergo plastic deformation. In the last decade, significant progress is made in quantifying the stresses associated with failure in both experiments and simulations. Nonetheless, the processes occurring on the most essential level of individual dislocations that govern semi-brittle and ductile fracture are still experimentally not accessible, limiting the failure prediction capabilities. Therefore, in the present work, a one-of-a-kind nanoscale fracture experiment is conducted on a single crystalline Cr bending beam in situ in the transmission electron microscope and for the first time quantify the transient strains around individual dislocations, as well as of the whole dislocation network during crack opening. The results reveal the importance of both pre-existing and newly emitted dislocations for crack-tip shielding via their intrinsic strain field and provide guidelines to design more damage tolerant materials.

36 MATERIALS SCIENCE↗

Assessing the blockage effect of wind turbines and wind farms using an analytical vortex model

Wind farm blockage effects are currently neglected in the prediction of wind farm energy yield, typically leading to an overestimation of the production. This work presents a novel method to assess wind farm production, while accounting for blockage effects. We apply a vortex model, based on a cylindrical wake, to assess induction effects. We present variations of the model to account for finite wake length, finite tip-speed ratios, and the proximity to the ground. The results are applied to single rotors in aligned and yawed conditions and to different wind farm layouts. We provide far-field approximations for faster estimates of the velocity field. Further, this article includes a new methodology to couple the induction model to engineering wake models, such as the ones present in the FLOw Redirection and Induction in Steady State (FLORIS). We compare the results to actuator disk simulations for various operating conditions of a single turbine and different wind farm layouts. We found that the mean relative error of the model in the induction zone is typically around 0.2% compared with actuator disk simulations. The computational time of the velocity field using the analytical vortex model is three orders of magnitude less than the one obtained with the actuator disk simulation.

17 WIND ENERGY↗

New insights on wind turbine wakes from large‐eddy simulation: Wake contraction, dual nature, and temperature effects

Abstract Large‐eddy simulation (LES) has been adopted to study wind turbine wakes because it can capture fine‐scale details of turbulent wind flows and interactions with wind turbines. Here, we use the LES version of the Weather Research and Forecasting (WRF) model with an actuator disk model to gain insights on several wake effects that have been traditionally difficult to measure. The first finding is that the wake has a “dual nature,” meaning that the wind speed deficit behaves differently from the added turbulent kinetic energy (TKE) and the two are not co‐located in space. For example, the wind speed deficit peaks at hub height and reaches the ground within 8D (D is the rotor diameter), but added TKE peaks near the rotor tip and generally remains aloft. Second, temperature changes near the ground are driven by the added TKE in the rotor area and by atmospheric stability. The combination of these two factors determines the sign and intensity of the vertical heat flux divergence below the rotor, with convergence and warming associated with stable conditions and weak divergence and modest cooling with unstable conditions. Third, wakes do not expand indefinitely, as suggested by similarity theory applied to the wind speed deficit, but eventually stop expanding and actually contract, at different rates depending on atmospheric stability. The implication of these findings is that, in order to study wakes, it is not sufficient to focus on wind speed deficit alone, because TKE is also important and yet behaves differently from the wind speed deficit.

17 WIND ENERGY↗

Aero‐servo‐elastic co‐optimization of large wind turbine blades with distributed aerodynamic control devices

Abstract This work introduces automated wind turbine optimization techniques based on full aero‐servo‐elastic models and investigates the potential of trailing edge flaps to reduce the levelized cost of energy (LCOE) of wind turbines. The Wind Energy with Integrated Servo‐control (WEIS) framework is improved to conduct the presented research. Novel methods for the generic implementation and tuning of trailing edge flap devices and their controller are also introduced. Primary flap and controller parameters are optimized to demonstrate potential maximum blade tip deflection reductions of 21 % . Concurrent design optimization (i.e., co‐design) of a novel segmented wind turbine blade with trailing edge flaps and its controller is then conducted to demonstrate blade cost savings of 5 % . Additionally, rotor diameter co‐design optimization is demonstrated to reduce the LCOE by 1.3 % without significant load increases to the tower. These results demonstrate the efficacy of control co‐design optimization using trailing edge flaps, and the entirety of this work provides a foundation for numerous control co‐design‐oriented studies for distributed aerodynamic control devices.

17 WIND ENERGY↗

Single-Cell Metabolomics with Rapid Determination of Chemical Formulas from Isotopic Fine Structures

Metabolomic measurements can provide functional readouts of cellular states and phenotypes. Here, we present a protocol for single-cell metabolomics that permits direct untargeted detection of a broad number of metabolites under ambient conditions, without the need for sample processing, and with high confidence in the discovery and identification of the molecular formulas for detected metabolites. This protocol describes combining fiber-based laser ablation electrospray ionization (f-LAESI) with a 21 Tesla Fourier transform ion cyclotron resonance mass spectrometer (21T-FTICR-MS) to obtain high confidence molecular formula information about detected metabolites. The f-LAESI source utilizes mid-infrared laser ablation through a sharp optical fiber tip, affording direct ambient analysis of cells without the need for sample processing. Using the 21T-FTICR-MS as a mass analyzer enabled measurement of the isotopic fine structure (IFS) for numerous metabolites simultaneously from single cells, and the IFSs were in turn computationally processed to rapidly determine the corresponding elemental compositions. This metabolomics technique complements other single cell omics measurement methods, helping to resolve complex molecular interactions that take place within cells unattainable from single cell transcriptomic and proteomics methods.

mass spectrometry, FTICR, FTMS, ultrahigh mass res↗

Microstate counting via Bethe Ansätze in the 4d $ \mathcal{N} $ = 1 superconformal index

We study the superconfomal index of four-dimensional toric quiver gauge theories using a Bethe Ansatz approach recently applied by Benini and Milan. Relying on a particular set of solutions to the corresponding Bethe Ansatz equations we evaluate the superconformal index in the large N limit, thus avoiding to take any Cardy-like limit. We present explicit results for theories arising as a stack of N D 3 branes at the tip of toric Calabi-Yau cones: the conifold theory, the suspended pinch point gauge theory, the first del Pezzo theory and Y p,q quiver gauge theories. For a suitable choice of the chemical potentials of the theory we find agreement with predictions made for the same theories in the Cardy-like limit. However, for other regions of the domain of chemical potentials the superconformal index is modified and consequently the associated black hole entropy receives corrections. We work out explicitly the simple case of the conifold theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Consistent truncations and dualities

Recent progress in generalised geometry and extended field theories suggests a deep connection between consistent truncations and dualities, which is not immediately obvious. A prime example is generalised Scherk-Schwarz reductions in double field theory, which have been shown to be in one-to-one correspondence with Poisson-Lie T-duality. Here we demonstrate that this relation is only the tip of the iceberg. Currently, the most general known classes of T-dualities (excluding mirror symmetry) are based on dressing cosets. But as we discuss, they can be further extended to the even larger class of generalised cosets. We prove that the latter give rise to consistent truncations for which the ansatz can be constructed systematically. Hence, we pave the way for many new examples of T-dualities and consistent truncations. The arising structures result in covariant tensors with more than two derivatives and we argue how they might be key to understand generalised T-dualities and consistent truncations beyond the leading two derivative level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The effect of WAAM process parameters on process conditions and production metrics in the fabrication of single-pass multi-layer wall artifacts

The present work seeks to understand the impact of varying dwell time and input deposition power on part quality and overall production time for wire arc additive manufacturing. In this work, multi-layer wall geometries were deposited under different input power conditions without affecting the material deposition rate by setting traverse speed and wire feed speed constant and varying the contact tip-to-workpiece distance and the deposition power settings. Current and voltage data and optical imaging of the deposition zone were captured in situ, and wall geometry was characterized using laser scanning, so to understand the applicability of these methods for determining part height in situ. Furthermore, the present results demonstrate that alternating dwell times with lower input deposition power can result in significantly reduced overall production time and minimal material underbuilding, despite increased deposition geometry width. Furthermore, it is shown that while elimination of process dwell results in severe underbuilding of the deposition, it also yields the highest production rate for a hybrid-finished (e.g., deposited, machined) wall in terms of mm in build direction per minute and the highest buy-to-fly ratio.

36 MATERIALS SCIENCE↗

Effects of weave path parameters on the geometry of wire arc additive manufactured features

Here, the present work investigates the effect of process parameters on the geometry of wire arc additive manufactured parts. The geometric accuracy of features produced with a weaving strategy is compared to what can be accomplished with a typical overlapping bead strategy. In this work, single-layer and multi-layer geometries were deposited under varying process and path parameters. The wavelength, amplitude, and torch speed of the weaving path were varied, while the power, wire feed speed, and contact tip to work distance remained constant. The geometric deposition efficiencies of several samples produced with a weave strategy are directly compared to samples generated with two parallel overlapping beads with torch speeds defined to match the deposition rate of the weave samples. Feature geometries were characterized using optical microscopy and laser scanning data. The results indicate that implementing a weave path strategy can improve the geometric accuracy of wire arc additive features, thus increasing the effective volumetric deposition rate of the process. It is shown that the most consistent improvements resulted from the combination of low wavelength and high amplitude, which correlate to wider and taller printed layers.

GMAW↗

Combined visualisation of cavitation and vortical structures in a real-size optical diesel injector

A high-speed flow visualisation set-up comprising of combined diffuse backlight illumination (DBI) and schlieren imaging has been developed to illustrate the highly transient, two-phase flow arising in a real-size optical fuel injector. The different illumination nature of the two techniques, diffuse and parallel light respectively, allows for the capturing of refractive-index gradients due to the presence of both interfaces and density gradients within the orifice. Hence, the onset of cavitation and secondary-flow motion within the sac and injector hole can be concurrently visualised. Experiments were conducted utilising a diesel injector fitted with a single-hole transparent tip (ECN spray D) at injection pressures of 700–900 bar and ambient pressures in the range of 1–20 bar. High-speed DBI images obtained at 100,000 fps revealed that the orifice, due to its tapered layout, is mildly cavitating with relatively constant cavity sheets arising mainly in regions of manufacturing imperfections. Nevertheless, schlieren images obtained at the same frame rate demonstrated that a multitude of vortices with short lifetimes arise at different scales in the sac and nozzle regions during the entire duration of the injection cycle but the vortices do not necessarily result in phase change. The magnitude and exact location of coherent vortical structures have a measurable influence on the dynamics of the spray emerging downstream the injector outlet, leading to distinct differences in the variation of its cone angle depending on the injection and ambient pressures examined.

42 ENGINEERING↗

Novel gas exposure system for the controlled exposure of plants to gaseous hydrogen fluoride

Abstract Plants can serve as sensitive bioindicators of the presence of contaminant vapors in the atmosphere. This work describes a novel laboratory-based gas exposure system capable of calibrating plants as bioindicators for the detection and delineation of the atmospheric contaminant hydrogen fluoride (HF) as a preparatory step for monitoring release emissions. To evaluate changes in plant phenotype and stress-induced physiological effects attributed to HF alone, the gas exposure chamber must have additional controls to simulate otherwise optimal plant growth conditions including variables such as light intensity, photoperiod, temperature, and irrigation. The exposure system was designed to maintain constant growth conditions during a series of independent experiments that varied between optimal (control) and stressful (HF exposure) conditions. The system was also designed to ensure the safe handling and application of HF. An initial system calibration introduced HF gas into the exposure chamber and monitored HF concentrations by cavity ring-down spectroscopy for a 48-h period. Stable concentrations inside the exposure chamber were observed after approximately 15 h, and losses of HF to the system ranged from 88 to 91%. A model plant species ( Festuca arundinacea ) was then exposed to HF for 48 h. Visual phenotype stress-induced responses aligned with symptoms reported in the literature for fluoride exposure (tip dieback and discoloration along the dieback transition margin). Fluoride concentrations in exposed tissues compared to control tissues confirmed enhanced fluoride uptake due to HF exposure. The system described herein can be applied to other reactive atmospheric pollutants of interest in support of bioindicator research.

54 ENVIRONMENTAL SCIENCES↗

Effect of microstructure on fatigue crack propagation in additive manufactured nickel-based superalloy Haynes 282: an experiment and crystal plasticity study

Haynes 282 is a γ' precipitation-strengthened nickel-based superalloy known for its exceptional high-temperature creep resistance and excellent fabricability. Recent advancements in powder-bed fusion-based additive manufacturing (PBF-AM) have enabled the fabrication of Haynes 282 with accurate, site-specific control of the grain orientation and morphology at the microscale. This ability opens up new avenues for microstructure design, to improve the material’s fatigue crack resistance and service life. This paper investigates the fatigue crack growth behavior of hybrid microstructure Haynes 282 fabricated via PBF-AM. Previous experiments revealed a higher crack propagation rate in the coarse columnar-grained microstructural regions when compared against fine-grained areas. Here, a strain gradient crystal plasticity model was adapted to study the fracture-related mechanical fields at the crack tip in the two microstructures. The simulation results showed a consistent influence of grain structure and texture on crack propagation, as was seen in the experiment. The model analysis revealed higher crack propagation driving force along crack direction in the coarse-grained sharply textured microstructure and higher driving force for crack kinking in fine-grained more diffusely textured microstructure, which is ascribed to the combined effect of yield stress, hardening rate, texture and grain morphology. The presented modeling approach will facilitate the development of the AM-based accurate microstructure design by deepening the fundamental study in AM-specific microstructure-properties relations.

36 MATERIALS SCIENCE↗

Analysis of the Ion Conversion Mechanisms in the Effluent of Atmospheric Pressure Plasma Jets in Ar with Admixtures of O 2 , H 2 O and Air

Ionic species in atmospheric pressure plasma jets (APPJs) play an important role in plasmasurface and plasma-liquid interactions, nonetheless, they have not received the same attention as their neutral reactive species counterparts. In this work, a molecular beam mass spectrometer (MBMS) was used to characterize the ion compositions in the effluent of an APPJ operating in ambient air for different feed gases including Ar + O 2 , Ar + air and Ar + H 2 O mixtures inspired by gas compositions used for biomedical applications. Changes in compositions of positive and negative ions as a function of nozzle-to-substrate distance along the plasma plume were analyzed and compared with a pseudo-1D plug flow model. Positive and negative ions were detected up to distances of 12 mm from the visible plasma plume tip. The measurements enable to follow the ion conversion pathways in the effluent of the APPJs as a function of distance from the nozzle. The trends in ion yield obtained from a pseudo-1D plug flow model showed generally a good agreement with the experimentally observed trends after addition of ionic reactions to the previously reported reaction set but also some distinctive differences were observed. The dominant positive ions in the far effluent are water ion clusters, the most stable ion for all gas mixtures investigated, while a large variety of negative ions was found for different gas mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗