bluuebunny/crossref_metadata_2025_split huggingface dataset:
Graph network based deep learning of bandgaps
Authors: Li Xiang-Guo , Blaiszik Ben , Schwarting Marcus Emory , Jacobs Ryan , Scourtas Aristana , Schmidt K. J. , Voyles Paul M. , Morgan Dane 
Published: October 2021

Recent machine learning models for bandgap prediction that explicitly encode the structure information to the model feature set significantly improve the model accuracy compared to both traditional machine learning and non-graph-based deep learning methods. The ongoing rapid growth of open-access bandgap databases can benefit such model construction not only by expanding their domain of applicability but also by requiring constant updating of the model. Here, we build a new state-of-the-art multi-fidelity graph network model for bandgap prediction of crystalline compounds from a large bandgap database of experimental and density functional theory (DFT) computed bandgaps with over 806 600 entries (1500 experimental, 775 700 low-fidelity DFT, and 29 400 high-fidelity DFT). The model predicts bandgaps with a 0.23 eV mean absolute error in cross validation for high-fidelity data, and including the mixed data from all different fidelities improves the prediction of the high-fidelity data. The prediction error is smaller for high-symmetry crystals than for low symmetry crystals. Our data are published through a new cloud-based computing environment, called the “Foundry,” which supports easy creation and revision of standardized data structures and will enable cloud accessible containerized models, allowing for continuous model development and data accumulation in the future.
Reflection and transmission of electromagnetic pulses at a planar dielectric interface: Theory and quantum lattice simulations
Authors: Ram Abhay K. , Vahala George , Vahala Linda , Soe Min 
Published: October 2021

There is considerable interest in the application of quantum information science to advance computations in plasma physics. A particular point of curiosity is whether it is possible to take advantage of quantum computers to speed up numerical simulations relative to conventional computers. Many of the topics in fusion plasma physics are classical in nature. In order to implement them on quantum computers, it will require couching a classical problem in the language of quantum mechanics. Electromagnetic waves are routinely used in fusion experiments to heat a plasma or to generate currents in the plasma. The propagation of electromagnetic waves is described by Maxwell equations with an appropriate description of the plasma as a dielectric medium. Before advancing to the tensor dielectric of a magnetized plasma, this paper considers electromagnetic wave propagation in a one-dimensional inhomogeneous scalar dielectric. The classic theory of scattering of plane electromagnetic waves at a planar interface, separating two different dielectric media, leads to Fresnel equations for reflection and transmission coefficients. In contrast to plane waves, this paper is on the reflection and transmission of a spatially confined electromagnetic pulse. Following an analytical formulation for the scattering of a Gaussian pulse, it is deduced that the maximum transmission coefficient for a pulse is n2/n1 times that for a plane wave; the incident and transmitted pulses propagate in dielectric media with refractive indices n1 and n2, respectively. The analytical theory is complemented by numerical simulations using a quantum lattice algorithm for Maxwell equations. The algorithm, based on the Riemann–Silberstein–Weber representation of the electromagnetic fields and expressed in terms of qubits, is an interleaved sequence of entangling operators at each lattice site and unitary streaming operators, which transmit information from one site to an adjacent lattice site. Besides substantiating results from the theory for Gaussian pulses, numerical simulations show their validity for non-Gaussian pulses. Apart from their time-asymptotic forms, the simulations display an interplay between the incident, reflected, and transmitted pulses in the vicinity of the transition region between two dielectric media.
The area rule for circulation in three-dimensional turbulence
Authors: Iyer Kartik P. , Bharadwaj Sachin S. , Sreenivasan Katepalli R. 
Published: October 2021

Significance
Circulation around closed loops is important in classical and quantum fluids, as well as condensed matter in the solid state. This paper deals with the statistical theory of circulation in high–Reynolds number turbulence and has important implications for the structure of turbulent vorticity, which is a quantity of central interest in turbulence. We focus particularly on the so-called area rule. The rule states that the statistical properties of circulation around closed contours depend solely on the area of the minimal surface for the contour, not on its shape. We demonstrate that the area rule works to a good approximation but falls short in some respects; in particular, the minimal area alone is insufficient to specify all the statistical properties.
Primary rainbow and Airy minima in 12C +
12C elastic scattering with families of non-monotonic potentials*
Authors: Islam M Sujan , Absar Ramon Ragib , Rahman M Mizanur , Islam M Shariful , Azad M M B , S B Tariq A , Uddin M A , Ali S , Basak A K 
Published: October 2021

Abstract
The experimental differential cross section of the 12C + 12C elastic scattering over a wide laboratory energy scale 25 ⩽ E
lab ⩽ 360 MeV are analyzed within the framework of the optical model (OM) using non-monotonic (NM) nucleus–nucleus potential. The real parts of the NM potentials are derived from the energy density functional (EDF) formalism with the sudden approximation embodying the Pauli exclusion principle and the imaginary parts are taken as phenomenology. The diffractive and the refractive scattering with Airy structures in the whole angular region of the 12C + 12C elastic scattering in the above mentioned energy range are found profoundly successful in OM with the NM nucleus–nucleus potentials in five of different potential families. All the families at lower energies converge at 240 MeV to the unique potential family starting with the EDF potential. This, in conjunction with our recent findings for the 16O + 16O system in Islam et al (2021 J. Phys. G 48 075109), not only verifies the Goldberg criterion for elimination of discrete potential ambiguities for NM potentials, but also establishes that this leads uniquely to the EDF family. The 90° excitation function is also successfully reproduced with extension using NM potentials. The near- and far-side (N/F) decomposition of total elastic scattering amplitude has also been studied using our NM potentials.
A mini-review on peptide-based self-assemblies and their biological applications
Authors: Wang Chenlei , Fu Linping , Hu Zhiyuan , Zhong Yeteng 
Published: October 2021

Abstract
Peptide-based supramolecular self-assembly from peptide monomers into well-organized nanostructures, has attracted extensive attentions towards biomedical and biotechnological applications in recent decades. This spontaneous and reversible assembly process involving non-covalent bonding interactions can be artificially regulated. In this review, we have elaborated different strategies to modulate the peptide self-assembly through tuning the physicochemical and environmental conditions, including pH, light, temperature, solvent, and enzyme. Detailed introduction of biological applications and future potential of the peptide-based nano-assemblies will also be given.
Low-operating temperature and remarkably responsive methanol sensors using Pt-decorated hierarchical ZnO structure
Authors: Vuong Nguyen Minh , Duy Do Dai , Hieu Hoang Nhat , Nguyen Van Nghia , Truong Nguyen Ngoc Khoa , Van Bui Hao , Van Hieu Nguyen 
Published: October 2021

Abstract
Highly responsive methanol sensors working at low temperatures are developed using hierarchical ZnO nanorods decorated by Pt nanoparticles. The sensing materials are fabricated following a 3-step process: electrospinning of ZnO nanofibers, hydrothermal growth of hierarchical ZnO nanorods on the nanofibers and UV-assisted deposition of Pt nanoparticles. The morphology, structure and properties of the materials are examined by field-effect scanning electron microscopy, transmission electron microscope, x-ray diffraction, x-ray photoelectron spectroscopy, UV–Vis absorption spectroscopy, and electrical measurements. The methanol sensing performance is investigated at different working temperatures in the range of 110 °C–260 °C. It is observed that the surface modification of the ZnO hierarchical nanorods by Pt nanoparticles results in a remarkable enhancement of the sensing response toward methanol, which can reach approximately 19 500 times higher than that of the unmodified ZnO nanorods-based sensor. In addition, this modification enables lower working temperatures with an optimum range of 140 °C–200 °C. Based on the achieved results, a methanol sensing mechanism of the Pt/ZnO structure is proposed.
Estimating the error in filament propagation measurement using a synthetic probe
Authors: Shanahan B , Killer C , Pechstein G , Henneberg S A , Fuchert G , Grulke O 
Published: October 2021

Abstract
Electric probe arrangements are a standard tool for investigating plasma filaments in the scrape-off layer of magnetic fusion experiments. In the Wendelstein 7-X stellarator, recent work has characterized plasma filaments using reciprocating electric probes and provided a comparison of filament scaling to simulated filaments, showing remarkable agreement (Killer et al 2020 Plasma Phys. Control. Fusion
62 085003). Here, such simulations are further employed to assess uncertainties inherent to probe measurements by introducing a synthetic probe diagnostic into the simulation. It is determined that filament diameters, and to a smaller degree radial filament velocities, are inherently underestimated in experiment when a filament is not centered on the probe tip. Filament velocity measurements are also sensitive to the alignment of the probes relative to the poloidal direction and the distance between pins. Floating potential pins which are spaced too far apart will underestimate filament velocity, whereas pins which are closely-spaced can overestimate the filament velocity. The sensitivity of the floating potential measurements—from which radial velocity is extracted—to temperature fluctuations is discussed. These investigations apply to measurements of filaments by electric probes in tokamaks as well and may serve as guidance for interpreting probe data and designing probe arrays.
A novel scenario decreasing the saturation level of low-threshold two upper hybrid plasmon parametric decay instability of extraordinary wave
Authors: Gusakov E Z , Popov A Yu 
Published: October 2021

Abstract
The effect of trapping a high harmonic ion Bernstein (IB) wave in a magnetic island possessing a plasma density maximum is predicted. The excitation of these waves in the course of secondary decays leading to saturation of the primary low-threshold two-upper-hybrid-plasmon parametric decay instability of the extraordinary pump wave is investigated. It is shown that the predicted IB wave trapping results in decreasing of the primary instability saturation level. Substantial suppression of the pump wave anomalous absorption due to the IB wave trapping effect is also foreseeing.
Development of a butterfly hysteresis structure for dielectric elastomer-actuated systems
Authors: Zhang Xiuyu , Xu Hongzhi , Li Zikang , Shu Feng , Li Zhi 
Published: October 2021

Abstract
Butterfly hysteresis behaviors show more complicated characteristics than single-loop hysteresis behaviors, which include two crossed single loops in opposite orientation. Most available hysteresis models used for describing the single-loop hysteresis behavior fail to predict the butterfly hysteresis. Therefore, it is a great challenge to build a hysteresis model to describe the butterfly hysteresis behavior. To this end, butterfly hysteresis operators including the butterfly play operator, the butterfly Krasnosel’skii–Pokrovskii kernel, and the butterfly asymmetric shift operator, are proposed to describe butterfly hysteresis effects. To further improve the modeling accuracy, a butterfly hysteresis structure containing the butterfly hysteresis operator and the neural networks for weight prediction and unmodeled dynamics is developed. The validation of the proposed structure is carried out on a dielectric elastomer-actuated system.
Slurry erosion behavior of hydro-turbine steel treated cryogenically at different soaking periods
Authors: Kumar Munish , Sidhu Hazoor Singh , Sidhu Buta Singh 
Published: October 2021

Abstract
The influence of deep cryogenic treatment on the erosive wear performance of Stainless Steel-316L (SS-316L) used in hydropower plants is studied. For this purpose, several SS-316L samples were held at deep cryogenic temperatures (−196 °C) for different soaking periods (12, 24, 36 h). The erosive wear tests were conducted on a self-fabricated slurry erosion test rig and the same was evaluated by weighing the cumulative mass loss (CML) of samples for every 30 min post erosion. From experimental analysis, it was found that the erosive wear was found to be minimum and the hardness reaches to maximum value after 24 h of the soaking period which could be attributed to the significant microstructural changes such as the transformation of γ-austenite phase into (δ-ferrite+α′-martensite) along with precipitation of numerous carbides after deep cryogenic treatments.
Synthesis and characterization of magnesium melting fluxes
Authors: Patel Sonam M , Patel Mehul M , Rao Vandana J 
Published: October 2021

Abstract
Magnesium and its alloys are extremely susceptible to oxidation and fire due to their reactivity with oxygen. Therefore, special care should be taken while melting them. In this research, different types of fluxes were used to protect the molten magnesium from oxidation. These fluxes cover the molten magnesium surface and refine it. In this research, nine magnesium melting and refining fluxes were studied. Dow fluxes compositions were taken as a base to prepare five fluxes and another four fluxes were developed by varying the content of chlorides, fluorides, and oxide. The main purpose of this research is to increase the recovery of magnesium metal by melting in normal atmospheric conditions and develop a low-cost conventional melting practice. Decomposition behavior, mass change, and melting of these nine fluxes were studied by TG/DTA technique. After fusing, the surface morphology of these fluxes was studied by visual observation and scanning electron microscope. Magnesium was melted using these nine fluxes and for each flux, the weight loss of magnesium was calculated. From a thermal analysis study, it was confirmed that all the fluxes were fused before magnesium melting. Based on the flux layer which was generated during the melting and the weight loss analysis, flux 9 (250) was the best flux compared to other fluxes. The highest purity was obtained by using flux 2 with the highest tensile strength value.
Empirical performance of polycrystalline silicon pixel circuit components for monolithic, large-area photon counting arrays
Authors: Liang Albert K , Koniczek Martin , El-Mohri Youcef , Zhao Qihua , Antonuk Larry E 
Published: October 2021

Abstract
Photon counting detectors (PCDs) offer several advantages for medical x-ray imaging compared to conventional imagers. However, current PCDs, whose circuits are fabricated using crystalline silicon semiconductor material, are not well-suited for large-area imaging applications such as breast CT and kilovoltage cone-beam CT (kV CBCT) in radiotherapy. To address this challenge, prototype PCDs based on polycrystalline silicon (a semiconductor better suited for manufacture of large-area devices) were created and, in this paper, an empirical determination of the maximum count rate of individual pixel circuit components (amplifier, comparator, clock generator and counter) corresponding to those prototypes is reported. For each circuit component, test input pulses (which were generated so as to approximate those in a complete pixel circuit) were used to obtain output response waveforms from which count rate was determined. The maximum count rate (in units of counts per second, cps) for the amplifier was determined to be 20.8 kcps while that of the comparator, clock generator and counter components were determined to be 1.2 Mcps, 98 kcps and 4.9 Mcps, respectively. The comparator and counter components provide count rates beyond that required for breast CT (∼108 kcps at a pixel pitch of 330 μm) while those components as well as the clock generator exceed the rate required for kV CBCT in radiotherapy (∼72 kcps at a pitch of 400 μm). It is anticipated that new polycrystalline silicon circuit designs for the amplifier and clock generator could provide count rates sufficient for both applications.
Root pressure–volume curve traits capture rootstock drought tolerance
Authors: Bartlett M K , Sinclair G , Fontanesi G , Knipfer T , Walker M A , McElrone A J 
Published: October 2021

AbstractBackground and AimsLiving root tissues significantly constrain plant water uptake under drought, but we lack functional traits to feasibly screen diverse plants for variation in the drought responses of these tissues. Water stress causes roots to lose volume and turgor, which are crucial to root structure, hydraulics and growth. Thus, we hypothesized that root pressure–volume (p–v) curve traits, which quantify the effects of water potential on bulk root turgor and volume, would capture differences in rootstock drought tolerance.MethodsWe used a greenhouse experiment to evaluate relationships between root p–v curve traits and gas exchange, whole-plant hydraulic conductance and biomass under drought for eight grapevine rootstocks that varied widely in drought performance in field trials (101-14, 110R, 420A, 5C, 140-Ru, 1103P, Ramsey and Riparia Gloire), grafted to the same scion variety (Vitis vinifera ‘Chardonnay’).Key ResultsThe traits varied significantly across rootstocks, and droughted vines significantly reduced root turgor loss point (πtlp), osmotic potential at full hydration (πo) and capacitance (C), indicating that roots became less susceptible to turgor loss and volumetric shrinkage. Rootstocks that retained a greater root volume (i.e. a lower C) also maintained more gas exchange under drought. The rootstocks that previous field trials have classified as drought tolerant exhibited significantly lower πtlp, πo and C values in well-watered conditions, but significantly higher πo and πtlp values under water stress, than the varieties classified as drought sensitive.ConclusionsThese findings suggest that acclimation in root p–v curve traits improves gas exchange in persistently dry conditions, potentially through impacts on root hydraulics or root to shoot chemical signalling. However, retaining turgor and volume in previously unstressed roots, as these roots deplete wet soil to moderately negative water potentials, could be more important to drought performance in the deep, highly heterogenous rooting zones which grapevines develop under field conditions.
Vertical Space Lift: Transcutaneous Lower Blepharoplasty, Subperiosteal Midface Lift, and Lower Face Lift: A Novel Technique of Buccal Fat Suspension to Medial Infraorbital Rim
Authors: Nural Hadi 
Published: October 2021

Abstract

Background
Despite traditional facelift and transtemporal endoscopic facelift techniques are used in treatment of mid face ptosis, they do not have a big impact on the midface area. Lower blepharoplasty techniques are effective to provide rejuvenation on nasojugal area, midface ptosis and tear trough deformity. Additionally, it is also possible to correct the lower face area and jowls with lower blepharoplasty.

Objectives
To define effect of vertical space lift in tear-trough, midcheek groove, midface, and lower face.

Methods
A retrospective study was carried out on 23 patients who had surgeries between January 2018 and January 2021. The buccal fat is suspended and anchored to the medial infra orbital rim with a superomedial vector and the midface flap anchored to the lower and lateral orbital rim with a superomedial and superolateral vector. The average follow-up period was 12 months.

Results
A high degree of satisfaction has been achieved in the feedback of questionnaires. Results showed that there is a significant improvement in nasojugal deformity, malar ptosis, mid-cheek grove, and jowls.

Conclusions
While transcutaneous lower blepharoplasty provides an opportunity for rejuvenation of the lower eyelid and midface area, vertical space lift allows the surgeon to work on the midface, lower face, and jowls area except the neck. Choosing appropriate technique according to area that needs to be corrected increases success rate.

Level of Evidence: 4
Optimizing viral genome subsampling by genetic diversity and temporal distribution (TARDiS) for phylogenetics
Authors: Marini Simone , Mavian Carla , Riva Alberto , Prosperi Mattia , Salemi Marco , Rife Magalis Brittany 
Published: October 2021

Abstract

Summary
TARDiS is a novel phylogenetic tool for optimal genetic subsampling. It optimizes both genetic diversity and temporal distribution through a genetic algorithm.

Availability and implementation
TARDiS, along with example datasets and a user manual, is available at https://github.com/smarini/tardis-phylogenetics
Hand and foot musculature of Sooglossoidea: synapomorphies, convergences and hind limb digging behaviour in anurans
Authors: Blotto Boris L , Biju S D , Pereyra Martín O , Araujo-Vieira Katyuscia , Faivovich Julián , Grant Taran 
Published: October 2021

Abstract
We describe the hand and foot musculature of the fossorial Indian purple frog, Nasikabatrachus sahyadrensis, and compare it to other members of Sooglossoidea: the Seychellean sooglossid genera Sechellophryne and Sooglossus. Due to the key phylogenetic position of Sooglossoidea, we compare its members with the diversity of Anura and define 52 characters from the hand and foot musculature, among which 26 are novel hypotheses of homology. We found several synapomorphies for Sooglossus, Sooglossidae, Nasikabatrachidae and Sooglossoidea. Additionally, we (1) propose synapomorphies for diverse anuran clades at different taxonomic levels, (2) re-evaluate the identity of some conflicting plantar and palmar muscles in the context of Batrachia and (3) discuss putative adaptations to hind limb digging behaviour resulting from morphological convergences. The lack of a clear pattern of convergences among hind limb digging species suggests the occurrence of a phenomenon of many-to-one mapping from form to function.