bluuebunny/crossref_metadata_2025 huggingface dataset:
Psychometric Analysis of an Ecological Vocal Effort Scale in Individuals With and Without Vocal Hyperfunction During Activities of Daily Living
Authors: Marks Katherine L. , Verdi Alessandra , Toles Laura E. , Stipancic Kaila L. , Ortiz Andrew J. , Hillman Robert E. , Mehta Daryush D.
Published: October 2021

Objective

The purpose of this study was to examine the psychometric properties of an ecological vocal effort scale linked to a voicing task.

Method

Thirty-eight patients with nodules, 18 patients with muscle tension dysphonia, and 45 vocally healthy control individuals participated in a week of ambulatory voice monitoring. A global vocal status question was asked hourly throughout the day. Participants produced a vowel–consonant–vowel syllable string and rated the vocal effort needed to produce the task on a visual analog scale. Test–retest reliability was calculated for a subset using the intraclass correlation coefficient, ICC(A, 1). Construct validity was assessed by (a) comparing the weeklong vocal effort ratings between the patient and control groups and (b) comparing weeklong vocal effort ratings before and after voice rehabilitation in a subset of 25 patients. Cohen's
d,
the standard error of measurement (
SEM
), and the minimal detectable change (MDC) assessed sensitivity. The minimal clinically important difference (MCID) assessed responsiveness.

Results

Test–retest reliability was excellent, ICC(A, 1) = .96. Weeklong mean effort was statistically higher in the patients than in controls (
d
= 1.62) and lower after voice rehabilitation (
d
= 1.75), supporting construct validity and sensitivity.
SEM
was 4.14, MDC was 11.47, and MCID was 9.74. Since the MCID was within the error of the measure, we must rely upon the MDC to detect real changes in ecological vocal effort.

Conclusion

The ecological vocal effort scale offers a reliable, valid, and sensitive method of monitoring vocal effort changes during the daily life of individuals with and without vocal hyperfunction.
A review: Research on corrosive sulphur in electrical power equipment
Authors: Yuan Yuan , Gao Xue , Zhou Jiang , Liu Guoyong , Kuang Xiongwei , Yang Lijun , Liao Ruijin
Published: October 2021

Corrosive sulphur has been commonly regarded as an enormous threat to electrical power equipment in recent decades. Cuprous sulphide (Cu2S) deposition on the insulating oil and paper insulation caused by sulphur corrosion will bring about insulation deteriorations or failures in power transformers and shunt reactors. A large number of experiments have been carried out to investigate sulphur corrosion and some measures have been come up to solve this issue such as replacement of insulating oil, chemical removal of corrosive sulphur and the addition of passivator and so on. However, there has not been a perfect method to work out this problem completely, and the phenomenon of sulphur corrosion still occurs. This paper intends to provide thorough information of corrosive sulphur in power equipment and give detailed explanations about its corrosion mechanism, hazards and control measures, which is supposed to offer a reference for subsequent researchers.
Research on numerical simulation for partial discharge of epoxy interface excited by high‐frequency sinusoidal voltage
Authors: Wang Jian , Guo Rui , Ping An , Liu Tao , Han Shuai , Li Qingmin
Published: October 2021

High‐frequency sinusoidal voltage excitation is proposed as a feasible method to solve the difficulty of partial discharge detection at the epoxy interface. In order to study the development process of partial discharge under high‐frequency stress, a two‐dimensional plasma simulation model of partial discharge for a needle‐plate electrode structure is established by coupling particle transport equation, Poisson equation and plasma chemical reaction. The model adopts a reaction set to reduce the difficulty of modelling generation, transport and disappearance of charged particles. It realises dynamic simulation of the partial discharge at the epoxy interface. The spatial–temporal distribution characteristics of microscopic parameters such as electron density, electron temperature and surface charge are obtained. Based on this simulation model, the partial discharge characteristics of the epoxy interface at different frequencies are further studied in this work. The results show that with the increase of applied voltage frequency, the electron temperature shows an increasing trend, but its increasing rate gradually slows down; while surface charge accumulation decreases uniformly with the increase of applied voltage frequency. These two factors make the partial discharge severest under the frequency of 10 kHz. The results of the model are verified from two aspects of discharge form and discharge intensity by experimental means.
Statistical strong lensing
Authors: Sonnenfeld Alessandro
Published: October 2021

Context. Time-delay lensing is a powerful tool for measuring the Hubble constant H0. However, in order to obtain an accurate estimate of H0 from a sample of time-delay lenses, very good knowledge of the mass structure of the lens galaxies is needed. Strong lensing data on their own are not sufficient to break the degeneracy between H0 and the lens model parameters on a single object basis.

Aims. The goal of this study is to determine whether it is possible to break the H0-lens structure degeneracy with the statistical combination of a large sample of time-delay lenses, relying purely on strong lensing data with no stellar kinematics information.

Methods. I simulated a set of 100 lenses with doubly imaged quasars and related time-delay measurements. I fitted these data with a Bayesian hierarchical method and a flexible model for the lens population, emulating the lens modelling step.

Results. The sample of 100 lenses on its own provides a measurement of H0 with 3% precision, but with a −4% bias. However, the addition of prior information on the lens structural parameters from a large sample of lenses with no time delays, such as that considered in Paper I, allows for a 1% level inference. Moreover, the 100 lenses allow for a 0.03 dex calibration of galaxy stellar masses, regardless of the level of prior knowledge of the Hubble constant.

Conclusions. Breaking the H0-lens model degeneracy with lensing data alone is possible, but 1% measurements of H0 require either many more than 100 time-delay lenses or knowledge of the structural parameter distribution of the lens population from a separate sample of lenses.
Galactic and stellar perturbations of long-period comet motion
Authors: Dybczyński Piotr A. , Breiter Sławomir
Published: October 2021

Context. Thanks to our expanding knowledge of the Galactic and stellar neighborhood of the Solar System, modern long-period comet motion studies must take into account both stellar perturbations and the overall Galactic potential.

Aims. Our aim is to propose algorithms and methods that aid in performing numerical integrations of equations of motion for a small body of the Solar System that are much faster and with greater precision.

Methods. We propose a new formulation of the equations of motion formulated in the Solar System barycentric frame, but one that accurately accounts for the differential perturbations caused by the Galactic potential. To make certain these equations are applied effectively, we provide numerical ephemerides of the Galactic positions of the Sun and a set of potential stellar perturbers.

Results. The proposed methods raise the precision by several orders of magnitude and, simultaneously, greatly reduce the necessary CPU time. The application of this approach is presented with the example of a detailed dynamical study of the past motion of comet C/2015 XY1.
Application of Zernike moments in computer vision problems for infrared images
Authors: Otkupman Dmitriy , Bezdidko Sergey , Ostashenkova Victoria
Published: October 2021

The efficiency of using Zernike moments when working with digital images obtained in the infrared region of the spectrum is considered to improve the accuracy and speed of an autonomous thermal imaging system. The theoretical justification of the choice of Zernike moments for solving computer (machine) vision problems and the choice of a suitable threshold binarization method is given. In order to verify the adequacy and expediency of using the chosen method, practical studies were conducted on the use of Zernike methods for distorting various thermal images in shades of gray.
The Sustainable Development of Railway System in Vietnam by GIS-based Technologies
Authors: Le Khanh Giang , Tran Quang Hoc
Published: October 2021

This study aims to explore the applications of Geographical Information System (GIS) technology in managing and analysing the railway networks in Vietnam in a scientific and rational manner, developing the railway industry in a sustainable manner to keep pace with the development speed in the region and in the world. A process of building a GIS project and designing a geodatabase for a GIS project was proposed. From that point, it is suggested to build an experimental database for the railway networks of Vietnam through ArcGIS software 10.2. After that, the authors explored some typical applications of GIS technology for railway network management such as management, safety and security, and selecting optimum routes. The results showed that GIS application in managing railway system brings lots of benefit to not only in the railway sector but also in the transportation field.
Conflict mobilization communities in social media as a soft power tool: problematization environmental risks
Authors: Rebrina Larisa
Published: October 2021

The object of the study is the protest communication practices of conflict mobilization in 2012-2021 by environmental communities in Russian-language social networks. Civil society is a significant actor in environmental policy. Social media as a soft power tool plays an important role today in informing, educating society about the environment and shaping a protesting regional environmental agenda. The system-communicative approach explores the patterns of discursive problematisation of environmental risks within the framework of civic political participation. Authors describe the types of publications constituting the content of environmental mobilization communities; analyse thematic dominants to identify frequent environmental threats constructed by the addressants of the publications; identify and systematise the strategies, tactics and relevant language tools used to problematise fragments of environmental reality; examine regular means of creating and maintaining online solidarity in environmental communities of conflict mobilization.
Role and significance of global bilingualism in the convergence of real and virtual spaces (within their communicative segment)
Authors: Sarkisov Emil , Nikolaev Sergey
Published: October 2021

This paper investigates communication in its bilingual expression as a factor enhancing subjective convergence of real and virtual spaces by the sign system. The aim of the investigation is to analyze language and speech which both, under global bilingual conditions, are influenced by cross-linguistic interference and facilitate in their interaction the mechanism of coding those new concepts of reality that arise and consolidate due to the mergence of real and virtual spaces. The basic research methods used are contrastive analysis and conceptual analysis. From the practical standpoint the obtained results can be used as complementary in, say, sociological and/or psychological studies of the impact produced by the real space upon social and individual con-science. The authors come to a conclusion that global bilingualism has created a special pattern in the interaction between language and speech where the coded information concerning real and virtual spaces is conceptually metaphorized. This type of metaphorization is nothing but simulacrization leading to faulty judgments and attitudes towards reality.
Evaluation of Frequency, Clinical Correlation, and Antibodies Confirmation Profile in Patients with Suspected Antiphospholipid Syndrome
Authors: Martins Filipe F. , Campos Teresa M. L.
Published: October 2021

Antiphospholipid syndrome (APS) is a systemic autoimmune disease characterized by arterial and venous thrombotic manifestations and/or pregnancy-related complications in patients with persistent antiphospholipid (aPL) antibodies. The introduction of Sapporo's classification criteria allowed uniformity in the classification of this pathology, representing a considerable advance in its diagnosis. However, currently some doubts about the application of these criteria still persist. The aim of this study was to contribute to the better understanding of APS by the assessment of aPL prevalence, the association between clinical and laboratory tests, and evaluation of the aPL confirmatory profile.

In this study, 1,179 samples from patients with suspected APS of both genders, without age restrictions, who were advised to test for complete aPL's profile were analyzed. The samples were tested for lupus anticoagulant (LAC), anticardiolipin immunoglobulin (Ig) G/IgM and anti-β-2-glycoprotein I IgG/IgM antibodies. Patient samples with isolated test requests for analysis and samples from patients under the influence of anticoagulants or in an infectious process were excluded.

The overall positivity found was 17.9% and the most frequent aPL was LAC. The antibodies were determined in isolation and in association. The prevalence of triple positivity was 0.8% and double positivity was 1.8%. Positivity was higher in inpatient/emergency services compared with outpatient services. There was a higher positivity in individuals over 41 years, males, patients with systemic lupus erythematosus, kidney complications, and deep vein thrombosis/thrombophlebitis. The positivity confirmation with second sample was 39.5% and the confirmation profile shows that 50.6% of samples confirmed with same positivity profile; 17.3% with a different profile and regarding to these, 2.5% of the samples confirmed positivity with a different antibody from the previously detected.

This study suggests that the aPL's positivity tends to increase with age, showing that the aPL's testing should be avoided during an acute event and reinforces the need for complete aPL laboratory profile in the second sample and subsequent determinations.
Influence of the Connector Area on the Chipping Rate of the VM9 Veneering Ceramic in a Posterior Four-Unit Yttria-Stabilized Tetragonal Zirconia Polycrystal Fixed Dental Prostheses: A Pilot Study
Authors: Haddad Camille , Meyer Jean-Marc , El Ahmadié Mayssaê
Published: October 2021

Objective The purpose of this study was to evaluate the influence of the connector area on the chipping rate of the VM9 veneering ceramic in a 4-unit yttria-stabilized tetragonal zirconia polycrystal (Y-TZP) framework, using a novel sonographic technique.

Materials and Methods The framework was designed as a 4-unit fixed dental prostheses (FDP) with two abutment teeth at the first mandibular premolar and second mandibular molar. The cross-sectional area of the connector was 7.5, 8, or 9 mm2. The prepared teeth were scanned using CAD/CAM technology, and five frameworks were prepared for each design, making a total of 15. The frameworks were divided according to the veneering ceramics: Y-TZP FDPs using Vita VM9 (12 frameworks), and porcelain fused to metal (PFM) FDPs using Vita VM13 (3 frameworks). The specimens were statically loaded until failure. To capture the initiation of the failure within the specimens, a novel sonographic technique, designed for this research, combining acoustic emission and visual monitoring during live load bearing tests, was used to determine the failure load value. Failed frameworks were inspected using a microscope, and failure patterns were identified. One-way ANOVA and Tukey HSD tests were applied for statistical analysis of the results (p-value ≤ 0.05).

Results Despite the fact that the chipping strength is proportional to the cross-sectional area of the connector, the effect of the cross-sectional area on chipping load revealed no statistically significant differences, while PFMs showed superior chipping strength relative to the zirconia frameworks regardless of the connector's size. A high rate of catastrophic fracture occurred while loading the specimens.

Conclusion The effect of the cross-sectional area on chipping load revealed no statistically significant differences in Y-TZP frameworks. The novel sonographic technique may be a potential method to study the behavior of dental ceramics, including chipping and fracture.
The impact of COVID-19 on digital data practices in museums and art galleries in the UK and the US
Authors: Noehrer Lukas , Gilmore Abigail , Jay Caroline , Yehudi Yo
Published: October 2021

The first quarter of 2020 heralded the beginning of an uncertain future for museums and galleries as the COVID-19 pandemic hit and the only means to stay ‘open’ was to turn towards the digital. In this paper, we investigate how the physical closure of museum buildings due to lockdown restrictions caused shockwaves within their digital strategies and changed their data practices potentially for good. We review the impact of COVID-19 on the museum sector, based on literature and desk research, with a focus on the implications for three museums and art galleries in the United Kingdom and the United States, and their mission, objectives, and digital data practices. We then present an analysis of ten qualitative interviews with expert witnesses working in the sector, representing different roles and types of institutions, undertaken between April and October 2020. Our research finds that digital engagement with museum content and practices around data in institutions have changed and that digital methods for organising and accessing collections for both staff and the general public have become more important. We present evidence that strategic preparedness influenced how well institutions were able to transition during closure and that metrics data became pivotal in understanding this novel situation. Increased engagement online changed traditional audience profiles, challenging museums to find ways of accommodating new forms of engagement in order to survive and thrive in the post-pandemic environment.
Coprimeness-preserving discrete KdV type equation on an arbitrary dimensional lattice
Authors: Kamiya R. , Kanki M. , Mase T. , Tokihiro T.
Published: October 2021

We introduce an equation defined on a multi-dimensional lattice, which can be considered as an extension to the coprimeness-preserving discrete KdV like equation in our previous paper. The equation is also interpreted as a higher-dimensional analog of the Hietarinta–Viallet equation, which is famous for its singularity confining property while having an exponential degree growth. As the main theorem, we prove the Laurent and the irreducibility properties of the equation in its “tau-function” form. From the theorem, the coprimeness of the equation follows. In Appendixes A–D, we review the coprimeness-preserving discrete KdV like equation, which is a base equation for our main system, and prove the properties such as the coprimeness.
Magnetic domain wall substructures in Pt/Co/Ni/Ir multi-layers
Authors: Li Maxwell , Rai Anish , Pokhrel Ashok , Sapkota Arjun , Mewes Claudia , Mewes Tim , Xiao Di , De Graef Marc , Sokalski Vincent
Published: October 2021

We examine the substructures of magnetic domain walls (DWs) in [Pt/(Co/Ni)M/Ir]N multi-layers using a combination of micromagnetic theory and Lorentz transmission electron microscopy. Thermal stability calculations of Q=±1 substructures [2π vertical Bloch lines and DW skyrmions] were performed using a geodesic nudged elastic band model, which supports their metastability at room temperature. Experimental variation in strength of the interfacial Dzyaloshinskii–Moriya interaction and film thickness reveals conditions under which these substructures are present and enables the formation of a magnetic phase diagram. Reduced thickness is found to favor Q=±1 substructures likely due to the suppression of hybrid DWs. The results from this study provide an important framework for examining 1D DW substructures in chiral magnetic materials.
Theoretical investigation of charge transfer between the NV− center in diamond and substitutional N and P
Authors: Kuate Defo Rodrick , Zhang Xingyu , Richardson Steven L. , Kaxiras Efthimios
Published: October 2021

The nitrogen-vacancy (NV) lattice defect in diamond, consisting of an N substitutional atom and an adjacent C vacancy, is commonly observed in two charge states, negative (NV−) and neutral (NV0). The NV− defect exhibits spin state-dependent fluorescence and is, therefore, amenable to optical methods for spin-state readout, while the NV0 is not. Hence, the NV− defect is much more useful for quantum sensing and quantum information processing. However, only NV0 electroluminescence has been observed, even from centers showing NV− in photoluminescence. In the present work, we use first-principles electronic structure calculations to determine adiabatic charge transition levels for the conversion of NV− to NV0 in the presence of substitutional N or P impurities, which provide the charge of the NV− center. We find that the adiabatic charge transition levels in the presence of such impurities lie at energies close to or lower than the zero-phonon line of the NV− center and that these energies only decrease as the concentration of N donors increases. This work, therefore, elucidates the absence of observed electroluminescence from the NV− and proposes a path toward observation of the phenomenon.
Efficiency of rovibrational cooling of HeH+ by collisions with He: Cross sections and rate coefficients from quantum dynamics
Authors: Gianturco F. A. , Giri K. , González-Sánchez L. , Yurtsever E. , Sathyamurthy N. , Wester R.
Published: October 2021

By extending an earlier study [Gianturco et al., J. Chem. Phys. 154, 054311 (2021)] on the purely rotational excitation of HeH+ by He atoms, we report in this paper integral cross sections and rate coefficients for rovibrational excitation and de-excitation processes in HeH+ due to collisions with He. The data were obtained using a new ab initio potential energy surface that includes the vibrational degree of freedom. The results are compared with those computed using the earlier potential energy surface by Panda and Sathyamurthy [J. Phys. Chem. A 107, 7125 (2003)] that additionally accounts for the proton-exchange reaction between HeH+ and He. It is shown that the exchange channel contributes nearly as much as the inelastic channel to the vibrational excitation and de-excitation processes and that the total rate constants pertaining to the purely inelastic processes are largely of the same magnitude as those obtained when both inelastic and reactive channels are included in the dynamics. The inelastic rovibrational rate coefficients involving this astrophysical cation are also found to be much larger than those obtained for anions present in similar interstellar environments.
Solving the Schrödinger equation using program synthesis
Authors: Habershon Scott
Published: October 2021

We demonstrate that a program synthesis approach based on a linear code representation can be used to generate algorithms that approximate the ground-state solutions of one-dimensional time-independent Schrödinger equations constructed with bound polynomial potential energy surfaces (PESs). Here, an algorithm is constructed as a linear series of instructions operating on a set of input vectors, matrices, and constants that define the problem characteristics, such as the PES. Discrete optimization is performed using simulated annealing in order to identify sequences of code-lines, operating on the program inputs that can reproduce the expected ground-state wavefunctions ψ(x) for a set of target PESs. The outcome of this optimization is not simply a mathematical function approximating ψ(x) but is, instead, a complete algorithm that converts the input vectors describing the system into a ground-state solution of the Schrödinger equation. These initial results point the way toward an alternative route for developing novel algorithms for quantum chemistry applications.
Rotation dynamics and internal structure of self-assembled binary paramagnetic colloidal clusters
Authors: Elismaili Mohammed , Bécu Lydiane , Xu Hong , Gonzalez-Rodriguez David
Published: October 2021

We study experimentally and theoretically the dynamics of two-dimensional self-assembled binary clusters of paramagnetic colloids of two different sizes and magnetic susceptibilities under a time-varying magnetic field. Due to the continuous energy input by the rotating field, these clusters are at a state of dissipative nonequilibrium. Dissipative viscoelastic shear waves traveling around their interface enable the rotation of isotropic binary clusters. The angular velocity of a binary cluster is much slower than that of the magnetic field; it increases with the concentration of big particles, and it saturates at a concentration threshold. We generalize an earlier theoretical model to successfully account for the observed effect of cluster composition on cluster rotation. We also investigate the evolution of the internal distribution of the two particle types, reminiscent of segregation in a drop of two immiscible liquids, and the effect of this internal structure on rotation dynamics. The binary clusters exhibit short-range order, which rapidly vanishes at a larger scale, consistent with the clusters’ viscoelastic liquid behavior.
Multi-configuration electron–nuclear dynamics: An open-shell approach
Authors: Wang Cong , Ulusoy Inga S. , Aebersold Lucas E. , Wilson Angela K.
Published: October 2021

The multi-configuration electron–nuclear dynamics for open shell systems with a spin-unrestricted formalism is described. The mean fields are evaluated using second-order reduced density matrices for electronic and nuclear degrees of freedom. Applications to light-element diatomics including equilibrium geometries, electronic energies, dipole moments, and absorption spectra are presented. The von Neumann entropies for different spin states of a LiH molecule are compared.
Scalable ab initio fragmentation methods based on a truncated expansion of the non-orthogonal molecular orbital model
Authors: Westheimer Bryce M. , Gordon Mark S.
Published: October 2021

An alternative formulation of the non-orthogonal molecular orbital model of electronic structure theory is developed based on the expansion of the inverse molecular orbital overlap matrix. From this model, a hierarchy of ab initio fragment-based quantum chemistry methods, referred to as the nth-order expanded non-orthogonal molecular orbital methods, are developed using a minimal number of approximations, each of which is frequently employed in intermolecular interaction theory. These novel methods are compared to existing fragment-based quantum chemistry methods, and the implications of those significant differences, where they exist, between the methods developed herein and those already existing methods are examined in detail. Computational complexities and theoretical scaling are also analyzed and discussed. Future extensions for the hierarchy of methods, to account for additional intrafragment and interfragment interactions, are outlined.
Controlling the electrical, optical, and morphological properties of sol–gel spin-coated indium tin oxide films
Authors: Sethuraman Sivaramakrishnan , Gerhardt Rosario A.
Published: October 2021

In this research, transparent conductive films of indium tin oxide (ITO) were deposited by solution processing sol–gel ink through spin coating on soda-lime glass and sheet glass substrates. The processing parameters evaluated include the deposition humidity, spin coating speed, and ink concentration. The optical transmittance of the ITO thin films was collected by UV–vis spectrophotometry, while the electrical properties were studied by sheet resistance measurements and impedance spectroscopy (IS) using an in-plane configuration. The lowest sheet resistance achieved for a single layer film is 104 Ω/□, with a corresponding low frequency impedance magnitude of 2 × 105. These values were obtained at medium humidity values while maintaining high optical transparency (>90%) in the visible light region. High humidity values were found to affect the substrate wetting property of the ITO ink and increased the possibility of hydrolysis during deposition, resulting in the formation of non-uniform surface patterns. A spin coating speed of 4000 rpm or more is required to obtain a uniform ITO film with desirable electrical and optical properties. Once the optimum combination of parameters is obtained, the sheet resistance and impedance magnitude can be reduced to ∼102 Ω/□ through multilayer deposition and annealing in a reducing atmosphere with minimal effect on the optical transmittance (>90%) and surface morphology, making these materials useful as electrodes for electro-optic applications. When the optimal values of the main deposition parameters are used, the ink concentration was found to have minimal effect on the quality and properties of the ITO films.
Dielectric relaxation affected by a monotonically decreasing driving force: An energy perspective
Authors: Swantek Justin L. , D’Esposito Tony , Brannum Jacob , Kowalski Frank V.
Published: October 2021

The response of a dielectric to an applied oscillating or step function electric field is widely used to characterize the permittivity of materials from biological samples to integrated circuits. A generic method to measure the permittivity and energy associated with different dielectric relaxation mechanisms as the driving force decreases monotonically with time is illustrated using electrolytic and ceramic capacitors. The free energy available from the dielectric is measured as the driving force changes. The results from this technique yield constraints on microscopic models of dielectric relaxation that differ from those obtained using the standard techniques.
Self-consistent field theory study of polymer-mediated colloidal interactions in solution: Depletion effects and induced forces
Authors: Li Wei , Delaney Kris T. , Fredrickson Glenn H.
Published: October 2021

Polymer-mediated colloidal interactions control the stability and phase properties of colloid–polymer mixtures that are critical for a wide range of important applications. In this work, we develop a versatile self-consistent field theory (SCFT) approach to study this type of interaction based on a continuum confined polymer solution model with explicit solvent and confining walls. The model is formulated in the grand canonical ensemble, and the potential of mean force for the polymer-mediated interaction is computed from grand potentials. We focus on the case of non-adsorbing linear polymers and present a systematic investigation on depletion effects using SCFT. The properties of confined polymer solutions are probed, and mean-field profiles of induced interactions are shown across different physical regimes. We expose a detailed parametric dependence of the interaction, concerning both attractive and repulsive parts, on polymer concentration, chain length, and solvent quality and explore the effect of wall surface roughness, demonstrating the versatility of the proposed approach. Our findings show good agreement with previous numerical studies and experiments, yet extend prior work to new regimes. Moreover, the mechanisms of depletion attraction and repulsion, along with the influence of individual control factors, are further discussed. We anticipate that this study will provide useful insights into depletion forces and can be readily extended to examine more complex colloid–polymer mixtures.
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.
Critical regulation of follicular helper T cell differentiation and function by Gα
13
signaling
Authors: Kuen Da-Sol , Park Miso , Ryu Heeju , Choi Garam , Moon Young-Hye , Kim Jae-Ouk , Kang Keon Wook , Kim Sang Geon , Chung Yeonseok
Published: October 2021

Significance

Optimal follicular helper T (Tfh) cell differentiation and function are required for effective humoral immunity against infection, while improper Tfh cell responses are associated with autoimmunity and allergy. We demonstrate that Gα
13
—a Gα protein subunit known to be involved in mediating signals related to cytoskeletal integrity, chemotaxis, and migration—acts as an essential positive regulator in Tfh cell development and function. The deletion of Gα
13
in T cells results in dampened germinal center reactions in immunization and viral infection models. Mechanistically, Gα
13
-RhoA-ROCK2 axis is responsible for the Tfh cell differentiation from naïve precursors, and Rho agonists recuperate hampered Tfh cell function in Gα
13
-deficient mice. Such mechanistic insight underscores the possibility of targeting Gα
13
-mediated signaling to maneuver Tfh cell responses.
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.
Dynamic deformation behaviour of 0.51C–1.72Si–0.83Mn–0.56Co high-strength steel
Authors: Zou Minqiang , Huang Chengcong , Qi Liang , Guan Renguo , Zhu Fusheng
Published: October 2021

In this paper, high-strength steel is prepared by different heat-treatment processes. Through split Hopkinson pressure bar experiment, optical microscope, scanning electron microscope and X-ray diffractometer, the microstructure evolution and mechanical behaviour under high strain rate were studied. The results show that the samples prepared by the two-step isothermal method have the highest compressive strength under the same strain rate, especially at 5000 s−1, the highest can reach 2097 MPa. The retained austenite undergoes transformation under high strain rate conditions, which improves the plastic deformation ability of the material. Compared with the one-step isothermal heat-treatment process, the two-step isothermal heat-treatment process can better control the strength and plasticity under high strain rate deformation conditions.
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

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

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

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

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

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

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.
Effect of the number of defect particles on the structure and dispersion relation of a two-dimensional dust lattice system
Authors: Zhang Rangyue , Shi Guannan , Tang Hanyu , Liu Yang , Liu Yanhong , Huang Feng
Published: October 2021

The effect of the number of defect particles on the structure and dispersion relations of a two-dimensional (2D) dust lattice is studied by molecular dynamics (MD) simulation. The dust lattice structures are characterized by particle distribution, nearest neighbor configuration and pair correlation function. The current autocorrelation function, the dispersion relation and sound speed are used to represent the wave properties. The wave propagation of the dust lattice closely relates to the lattice structure. It shows that the number of defect particles can affect the dust lattice local structure and then affect the dispersion relations of waves propagating in it. The presence of defect particles has a greater effect on the transverse waves than on the longitudinal waves of the dust lattice. The appropriate number of defect particles can weaken the anisotropy property of the lattice.