bluuebunny/crossref_metadata_2025 huggingface dataset:
Boosting the interface reaction activity and kinetics of cobalt molybdate by phosphating treatment for aqueous zinc-ion batteries with high energy density and long cycle life
Authors: Shen Yuenian , Li Zhihao , Cui Zhe , Zhang Ke , Zou Rujia , Yang Fang , Xu Kaibing
Published: September 2020

P-CoMoO4 with boosted interface reaction activity and kinetics is first employed as a cathode material for high-performance aqueous zinc-ion batteries.
An exquisite electrode material using aramid nanofibers with enhanced discharge capacity and catalytic conversion of polysulfides
Authors: Liao Kexuan , Wei HuanHuan , Shi Penghui , Fan Jinchen , Xu Qunjie , Min Yulin
Published: September 2020

Composite materials obtained byin situgrowth of metal nanoparticles on a three-dimensional carbon network are approved as promising electrode materials.
Correction: Semiconductor-to-metal reconstructive phase transition and superconductivity of anti-perovskite Ca3PN under hydrostatic pressure
Authors: Cheng Hao , Mao Ai-Jie , Yang Si-Min , Tian Hao , Jin Si-Yu , Yu Miao , Kuang Xiao-Yu
Published: September 2020

Correction for ‘Semiconductor-to-metal reconstructive phase transition and superconductivity of anti-perovskite Ca3PN under hydrostatic pressure’ by Hao Cheng et al., J. Mater. Chem. C, 2020, DOI: 10.1039/d0tc02507k.
Association between the combined effects ofGSTM1present/null andCYP1A1MspI polymorphisms with lung cancer risk: an updated meta-analysis
Authors: Zhang Wen-Ping , He Xiao-Feng , Ye Xiang-Hua
Published: September 2020

Background: Many studies have been performed to explore the combined effects of glutathione-S-transferase M1 (GSTM1) present/null and cytochrome P4501A1 (CYP1A1) MspI polymorphisms with lung cancer (LC) risk, but the results are contradictory. Two previous meta-analyses have been reported on the issue in 2011 and 2014. However, several new articles since then have been published. In addition, their meta-analyses did not valuate the credibility of significantly positive results.

Objectives: We performed an updated meta-analysis to solve the controversy following the Preferred Reporting Items for Systematic Reviews and Meta-Analyses guidelines.

Methods: False-positive report probability (FPRP), Bayesian false discovery probability (BFDP), and the Venice criteria were used to verify the credibility of meta-analyses.

Results: Twenty-three publications including 5734 LC cases and 7066 controls met the inclusion criteria in the present study. A significantly increased risk of LC was found in overall analysis, Asians and Indians. However, all positive results were considered as ‘less-credible’ when we used the Venice criteria, FPRP, and BFDP test to assess the credibility of the positive results.

Conclusion: These positive findings should be interpreted with caution and results indicate that significant associations may be less-credible, there are no significantly increased LC risk between the combined effects of GSTM1 present/null and CYP1A1 MspI polymorphisms.
Experiences With and Lessons Learned From Developing, Implementing, and Evaluating a Support Program for Older Hearing Aid Users and Their Communication Partners in the Hearing Aid Dispensing Setting
Authors: Meijerink Janine F. J. , Pronk Marieke , Kramer Sophia E.
Published: September 2020

Purpose

The SUpport PRogram (SUPR) study was carried out in the context of a private academic partnership and is the first study to evaluate the long-term effects of a communication program (SUPR) for older hearing aid users and their communication partners on a large scale in a hearing aid dispensing setting. The purpose of this research note is to reflect on the lessons that we learned during the different development, implementation, and evaluation phases of the SUPR project.

Procedure

This research note describes the procedures that were followed during the different phases of the SUPR project and provides a critical discussion to describe the strengths and weaknesses of the approach taken.

Conclusion

This research note might provide researchers and intervention developers with useful insights as to how aural rehabilitation interventions, such as the SUPR, can be developed by incorporating the needs of the different stakeholders, evaluated by using a robust research design (including a large sample size and a longer term follow-up assessment), and implemented widely by collaborating with a private partner (hearing aid dispensing practice chain).
The Content and Quality of Information About Hyperacusis Presented Online
Authors: Smith Sandra N. , Smallwood Ethan , Sereda Magdalena , Adams Bethany , Hoare Derek J.
Published: September 2020

Purpose

Hyperacusis is a disorder characterized by reduced sound tolerance leading to ear pain, emotional distress, and reduced quality of life. Many people with hyperacusis turn to the Internet for information and support from online communities to discuss their condition. The purpose of this study was to assess the content and quality of hyperacusis information presented online.

Method

The three most used Internet search engines were used to identify relevant websites using the single search term
hyperacusis
. Fifteen websites were selected for analysis. Details of the purpose, audience, and content of each website were extracted using a bespoke data extraction form. The quality of the information on each website was rated using the validated DISCERN questionnaire.

Results

There was a wide disparity in the quality and content of hyperacusis information across websites. The website Hyperacusis Focus achieved the highest overall DISCERN score. Hyperacusis Focus and U.K. National Health Service websites were the most comprehensive online resources for health care professionals and patients, respectively. Wikipedia was judged useful for both health care professionals and patients. In general, hyperacusis-related information was accurate. However, no single website provided a complete account of hyperacusis, and some were judged to be selective in the information they provided.

Conclusions

The Internet provides an important source of information for those who have hyperacusis and those who care for them. Revisions to the websites reviewed here are needed for each to provide a complete account of hyperacusis.

Supplemental Material

https://doi.org/10.23641/asha.12869717
Evaluation of Hearing Aids in Everyday Life Using Ecological Momentary Assessment: What Situations Are We Missing?
Authors: Schinkel-Bielefeld Nadja , Kunz Patricia , Zutz Anja , Buder Bastian
Published: September 2020

Background

Ecological momentary assessment (EMA) is a method to evaluate hearing aids in everyday life that uses repeated smartphone-based questionnaires to assess a situation as it happens. Although being ecologically valid and avoiding memory bias, this method may be prone to selection biases due to questionnaires being skipped or the phone not being carried along in certain situations.

Purpose

This investigation analyzed which situations are underrepresented in questionnaire responses and physically measured objective EMA data (e.g., sound level), and how such underrepresentation may depend on different triggers.

Method

In an EMA study, 20 subjects with hearing impairment provided daily information on reasons for missed data, that is, skipped questionnaires or missing connections between their phone and hearing aids.

Results

Participants often deliberately did not bring the study phone to social situations or skipped questionnaires because they considered it inappropriate, for example, during church service or when engaging in conversation. They answered fewer questions in conversations with multiple partners and were more likely to postpone questionnaires when not in quiet environments.

Conclusion

Data for social situations will likely be underrepresented in EMA. However, these situations are particularly important for the evaluation of hearing aids, as individuals with hearing impairment often have difficulties communicating in noisy situations. Thus, it is vital to optimize the design of the study to find a balance between avoiding memory bias and enabling subjects to report retrospectively on situations where phone usage may be difficult. The implications for several applications of EMA are discussed.

Supplemental Material

https://doi.org/10.23641/asha.12746849
A Framework of Motoric Complexity: An Investigation in Children With Typical and Impaired Speech Development
Authors: Case Julie , Grigos Maria I.
Published: September 2020

Introduction

The current work presents a framework of motoric complexity where stimuli differ according to movement elements across a sound sequence (i.e., consonant transitions and vowel direction). This framework was then examined in children with childhood apraxia of speech (CAS), other speech sound disorders (SSDs), and typical development (TD).

Method

Twenty-four children (CAS,
n
= 8; SSD,
n
= 8; TD,
n
= 8), 5–6 years of age, participated in this study. The children produced words that varied in motoric complexity while transcription, acoustic, and kinematic data were collected. Multidimensional analyses were conducted to examine speech production accuracy, speech motor variability, and temporal control.

Results

Analyses revealed poorer accuracy, longer movement duration, and greater speech motor variability in children with CAS than TD (across all measures) and other SSDs (accuracy and variability). All children demonstrated greater speech motor variability and longer duration as movement demands increased within the framework of motoric complexity. Diagnostic grouping did not mediate performance on this task.

Conclusions

Results of this study are believed to reveal gradations of complexity with increasing movement demands, thereby supporting the proposed framework of motoric complexity. This work also supports the importance of considering motoric properties of sound sequences when evaluating speech production skills and designing experimental and treatment stimuli.
β Cas: The first δ Scuti star with a dynamo magnetic field
Authors: Zwintz K. , Neiner C. , Kochukhov O. , Ryabchikova T. , Pigulski A. , Müllner M. , Steindl T. , Kuschnig R. , Handler G. , Moffat A. F. J. , Pablo H. , Popowicz A. , Wade G. A.
Published: September 2020

Context. F-type stars are characterised by several physical processes such as different pulsation mechanisms, rotation, convection, diffusion, and magnetic fields. The rapidly rotating δ Scuti star β Cas can be considered as a benchmark star to study the interaction of several of these effects.

Aims. We investigate the pulsational and magnetic field properties of β Cas. We also determine the star’s apparent fundamental parameters and chemical abundances.

Methods. Based on photometric time series obtained from three different space missions (BRITE-Constellation, SMEI, and TESS), we conduct a frequency analysis and investigate the stability of the pulsation amplitudes over four years of observations. We investigate the presence of a magnetic field and its properties using spectropolarimetric observations taken with the Narval instrument by applying the least-squares deconvolution and Zeeman-Doppler imaging techniques.

Results. The star β Cas shows only three independent p-mode frequencies down to the few ppm-level; its highest amplitude frequency is suggested to be an n = 3, ℓ = 2, m = 0 mode. Its magnetic field structure is quite complex and almost certainly of a dynamo origin. The atmosphere of β Cas is slightly deficient in iron peak elements and slightly overabundant in C, O, and heavier elements.

Conclusions. Atypically for δ Scuti stars, we can only detect three pulsation modes down to exceptionally low noise levels for β Cas. The star is also one of very few δ Scuti pulsators known to date to show a measurable magnetic field and the first δ Scuti star with a dynamo magnetic field. These characteristics make β Cas an interesting target for future studies of dynamo processes in the thin convective envelopes of F-type stars, the transition region between fossil and dynamo fields, and the interaction between pulsations and magnetic field.
Hot Exoplanet Atmospheres Resolved with Transit Spectroscopy (HEARTS)
Authors: Hoeijmakers H. J. , Seidel J. V. , Pino L. , Kitzmann D. , Sindel J. P. , Ehrenreich D. , Oza A. V. , Bourrier V. , Allart R. , Gebek A. , Lovis C. , Yurchenko S. N. , Astudillo-Defru N. , Bayliss D. , Cegla H. , Lavie B. , Lendl M. , Melo C. , Murgas F. , Nascimbeni V. , Pepe F. , Ségransan D. , Udry S. , Wyttenbach A. , Heng K.
Published: September 2020

Context.WASP-121 b is a hot Jupiter that was recently found to possess rich emission (day side) and transmission (limb) spectra, suggestive of the presence of a multitude of chemical species in the atmosphere.

Aims.We survey the transmission spectrum of WASP-121 b for line-absorption by metals and molecules at high spectral resolution and elaborate on existing interpretations of the optical transmission spectrum observed with theHubbleSpace Telescope (HST).

Methods.We applied the cross-correlation technique and direct differential spectroscopy to search for sodium and other neutral and ionised atoms, TiO, VO, and SH in high-resolution transit spectra obtained with the HARPS spectrograph. We injected models assuming chemical and hydrostatic equilibrium with a varying temperature and composition to enable model comparison, and employed two bootstrap methods to test the robustness of our detections.

Results.We detect neutral Mg, Na, Ca, Cr, Fe, Ni, and V, which we predict exists in equilibrium with a significant quantity of VO, supporting earlier observations by HST/WFC3. Non-detections of Ti and TiO support the hypothesis that Ti is depleted via a cold-trap mechanism, as has been proposed in the literature. Atomic line depths are under-predicted by hydrostatic models by a factor of 1.5 to 8, confirming recent findings that the atmosphere is extended. We predict the existence of significant concentrations of gas-phase TiO2, VO2, and TiS, which could be important absorbers at optical and near-IR wavelengths in hot Jupiter atmospheres. However, accurate line-list data are not currently available for them. We find no evidence for absorption by SH and find that inflated atomic lines can plausibly explain the slope of the transmission spectrum observed in the near-ultraviolet with HST. The Na ID lines are significantly broadened (FWHM~50 to 70 km s−1) and show a difference in their respective depths of ~15 scale heights, which is not expected from isothermal hydrostatic theory. If this asymmetry is of astrophysical origin, it may indicate that Na Iforms an optically thin envelope, reminiscent of the Na Icloud surrounding Jupiter, or that it is hydrodynamically outflowing.
Partition of Unity Finite Element Method applied to exterior problems with Perfectly Matched Layers
Authors: Langlois Christophe , Chazot Jean-Daniel , Perrey-Debain Emmanuel , Nennig Benoit
Published: September 2020

The Partition of Unity Finite Element Method (PUFEM) is now a well established and efficient method used in computational acoustics to tackle short-wave problems. This method is an extension of the classical finite element method whereby enrichment functions are used in the approximation basis in order to enhance the convergence of the method whilst maintaining a relatively low number of degrees of freedom. For exterior problems, the computational domain must be artificially truncated and special treatments must be followed in order to avoid or reduce spurious reflections. In recent papers, different Non-Reflecting Boundary Conditions (NRBCs) have been used in conjunction with the PUFEM. An alternative is to use the Perfectly Match Layer (PML) concept which consists in adding a computational sponge layer which prevents reflections from the boundary. In contrast with other NRBCs, the PML is not case specific and can be applied to a variety of configurations. The aim of this work is to show the applicability of PML combined with PUFEM for solving the propagation of acoustic waves in unbounded media. Performances of the PUFEM-PML are shown for different configurations ranging from guided waves in ducts, radiation in free space and half-space problems. In all cases, the method is shown to provide acceptable results for most applications, similar to that of local approximation of NRBCs.
A miniaturized gas flow energy harvester using diamagnetically stabilized levitation
Authors: Zhang Kun , Gong Qi , Li Xia , Su Yufeng , Duan Zhiyong
Published: September 2020

In this paper, a miniaturized energy harvester is presented to scavenge gas flow energy. A magnet rotor with three teeth evenly distributed on the edge was introduced into the energy harvester, and it is frictionlessly levitated between two highly oriented pyrolytic graphite (HOPG) sheets. The energy harvester is designed to operate at a single stable equilibrium, so as to improve the stability of the rotor. The optimal incident angle of the gas flow was determined to be 83°. On the basis of the optimal angle, two different configurations of the energy harvester were proposed. Configuration A includes one nozzle, while Configuration B has two centrosymmetric nozzles. The maximum flow rate that enables Configurations A to work stably is limited, which can be increased by thickening the magnet rotor. The maximum voltage of configuration A was 0.28 V at a flow rate of 1500 sccm for the 4.5 mm thick rotor. Configuration B can run stably at any flow rate bigger than 250 sccm and the induced voltage increases with the driving flow rate. At the flow rate of 3000 sccm, the energy harvester of Configuration B can generate a maximum voltage of 3 V and light up tens of light-emitting-diodes (LEDs).
Experimental study of thermohydraulic characteristics and irreversibility analysis of novel axial corrugated tube with spring tape inserts
Authors: Bhattacharyya Suvanjan , Sarkar Debraj , Mahabaleshwar Ulavathi Shettar , Soni Manoj K. , Mohanraj M.
Published: September 2020

The current study experimentally investigates the heat transfer augmentation on the novel axial corrugated heat exchanger tube in which the spring tape is introduced. Air (Pr = 0.707) is used as a working fluid. In order to augment the thermohydraulic performance, a corrugated tube with inserts is offered. The experimental study is further extended by varying the important parameters like spring ratio (y = 1.5, 2.0, 2.5) and Reynolds number (Re = 10 000–52 000). The angular pitch between the two neighboring corrugations and the angle of the corrugation is kept constant through the experiments at β = 1200 and α = 600 respectively, while two different corrugations heights (h) are analyzed. While increasing the corrugation height and decreasing the spring ratio, the impact of the swirling effect improves the thermal performance of the system. The maximum thermal performance is obtained when the corrugation height is h = 0.2 and spring ratio y = 1.5. Eventually, correlations for predicting friction factor (f) and Nusselt number (Nu) are developed.
Sofosbuvir, velpatasvir, and voxilaprevir for patients with failure of previous direct-acting antiviral therapy for chronic hepatitis C: Results from the German Hepatitis C-Registry (DHC-R)
Authors: Wedemeyer Heiner , Vermehren Johannes , Serfert Yvonne , Cornberg Markus , Stoehr Albrecht , Klinker Hartwig , Simon Karl-Georg , Teuber Gerlinde , Deterding Katja , Schulze zur Wiesch Julian , Jung Maria-Christina , Manns Michael P. , Zeuzem Stefan , Sarrazin Christoph
Published: September 2020

Despite the high effectiveness of direct-acting antivirals for the treatment of hepatitis C, a small proportion of patients do not respond to approved regimens. The combination regimen of SOF/VEL/VOX was recently approved for patients with failure to prior NS5A-based treatment. In this German real-world cohort including patients with cirrhosis (27.3 %) and previous decompensation events, 12 weeks of SOF/VEL/VOX resulted in high virologic response rates irrespective of disease severity and prior DAA regimen. Adverse events were mostly mild or moderate and comparable to those seen in the approval studies.
30 Jahre transjugulärer intrahepatischer portosystemischer Shunt (TIPS) – Rückblick und Perspektive
Authors: Schultheiß Michael , Bettinger Dominik , Thimme Robert , Rössle Martin
Published: September 2020

Der transjuguläre intrahepatische portosystemische Shunt (TIPS) wird seit 30 Jahren in der Therapie der portalen Hypertonie erfolgreich eingesetzt. In nationalen und internationalen Leitlinien ist die Indikation zur TIPS-Anlage bei Varizenblutung und refraktärem Aszites wissenschaftlich gut belegt und klar definiert. Bei seltenen Indikationen wie dem hepatorenalen Syndrom, der Pfortaderthrombose oder dem neoadjuvanten Einsatz fehlt derzeit noch eine eindeutige Studienlage. Eine wichtige Kontraindikation und klinisch bedeutendste Komplikation nach TIPS ist die hepatische Enzephalopathie (HE). Es wird versucht, die Post-TIPS HE mit technischen Weiterentwicklungen der Stents zu reduzieren.
Lebenszeitkosten der Hörgeräteversorgung in Deutschland
Authors: Thum Christin , Langenfeld Ronja , Flessa Steffen
Published: September 2020

Hintergrund Die Hörgeräteversorgung stellt die Standardtherapie zur Behandlung von Schwerhörigkeit dar, die von der gesetzlichen Krankenversicherung (GKV) getragen wird. Bei chronischem Verlauf entstehen dabei Kosten bis zum Lebensende des Patienten. Die vorliegende Analyse untersucht die durchschnittlichen Lebenszeitkosten der Hörgeräteversorgung erwachsener Patienten in Abhängigkeit des Erstversorgungsalters und stellt diese sowohl aus Perspektive der GKV als auch aus Sicht des Versicherten dar.

Methoden Als Basisfall wird die Versorgung mit aufzahlungsfreien Hörgeräten betrachtet. Zunächst werden anhand eines Behandlungspfades die über die Lebenszeit anfallenden Kostenkomponenten identifiziert. Anschließend werden die barwertigen Lebenszeitkosten der monauralen sowie binauralen Hörgeräteversorgung berechnet.

Ergebnisse Die binaurale (monaurale) Hörgeräteversorgung eines Erwachsenen (Erstversorgung zwischen 18 und 88 Jahren) verursacht durchschnittliche, barwertige Lebenszeitkosten von 4518 € (2536 €) aus Perspektive der GKV. Für den Versicherten fallen durchschnittlich 4610 € (3672 €) Gesamtkosten an. Für jedes einzelne Erstversorgungsalter ergeben sich spezifische Lebenszeitkosten. Grundsätzlich sinken die Lebenszeitkosten mit steigendem Erstversorgungsalter des Patienten.

Schlussfolgerungen Patienten tragen einen wesentlichen Anteil der Versorgungskosten. Werden statt kassenfinanzierten Hörgeräten High-End-Geräte gewählt, steigen die patientenseitigen Gesamtkosten und betragen bei binauraler Versorgung durchschnittlich 7953 €. Aufgrund stetig fortschreitender technischer Entwicklung von Hörsystemen ist von steigenden Kosten der Hörgeräteversorgung auszugehen.
I love shopping…but what am I going to buy? Social interaction and consumption choices
Authors: Caravaggio Andrea , Sodini Mauro
Published: September 2020

In the present work, we analyze the emergence of fashion cycles and complex phenomena in a discrete time dynamic model in which a population is divided into two groups, bandwagoners and snobs. Both groups react differently to the aggregate demand for goods in the previous period and, in particular, bandwagoners imitate the consumption styles prevailing in society, while snobs try to distinguish themselves from them. We consider a first specification of the model in which the structure of the population is fixed and we show how in the case of polymorphic population it is possible to observe cyclical behaviors in collective consumption and the onset of chaotic regimes. We further propose an extension of the model in which we investigate the interdependence between the evolution of collective consumption choices and the evolution of the structure of the groups in a framework in which individuals may change the structure of preferences and then switch between being of one type or another. In the extension, we analyze how both consumption cycles (and then fashion cycles) and the evolution of the groups may lead to the emergence of chaotic dynamics, as well as the coexistence of attractors.
Exploring the potential of MnX (S, Sb) monolayers for antiferromagnetic spintronics: A theoretical investigation
Authors: Abdullahi Yusuf Zuntu , Ersan Fatih , Vatansever Zeynep Demir , Aktürk Ethem , Aktürk Olcay Üzengi
Published: September 2020

In this study, we predicted new two-dimensional tetragonal structures of t-Mn2X2 (X = S, Sb) sheets on the basis of first-principles plane wave calculations within density functional theory with Hubbard U model. Stability tests such as phonon spectrum calculation and molecular dynamic simulations reveal that the 2D t-Mn2X2 structures are dynamically and thermally stable at least in room temperature. Our theoretical calculations have shown that t-Mn2X2 structures have two Raman active and seven infrared active modes. The t-Mn2Sb2 sheet exhibits metallic property, whereas t-Mn2S2 shows semiconducting property with a 0.68 eV indirect bandgap. Exploring of the favorable magnetic orientation calculations revealed that both 2D t-Mn2X2 structures prefer antiferromagnetic spin configuration. Estimated critical temperatures for the phase transition from antiferromagnetic spin order to paramagnetic case are 720 K and 545 K for t-Mn2S2 and t-Mn2Sb2, respectively. These relatively high Néel temperatures and their suitable electronic properties for many applications clearly qualify that the 2D t-Mn2X2 sheets can be a good candidate for room temperature antiferromagnetic device applications.
Magnetic reconnection and kinetic waves generated in the Earth's quasi-parallel bow shock
Authors: Bessho N. , Chen L.-J. , Wang S. , Hesse M. , Wilson L. B. , Ng J.
Published: September 2020

Magnetic reconnection in quasi-parallel shocks, relevant to the Earth's bow shock, is studied by means of two-dimensional full particle-in-cell simulations. As the Alfvénic Mach number increases, the propagation direction of the waves excited in the transition region changes, and the shock becomes more turbulent with more reconnection sites. In the higher Mach number shock, abundant electron-only reconnection sites are generated with scales on the order of the ion skin depth or less. Non-reconnecting current sheets can also generate electron jets and energy dissipation can occur there as well. However, non-reconnecting current sheets with the magnetic field reversal typically show a smaller energy dissipation rate than reconnecting current sheets. In the shock transition region, two types of waves are responsible for driving reconnection: one has a wavelength around three ion skin depths (di), and the other has a wavelength less than 1 di. Electron and ion distribution functions show that in regions where the former type of waves is excited, there are two ion beams and a single-peaked electron distribution. In contrast, in regions where the latter type of waves is excited, there are multiple electron and ion beams. The waves propagating obliquely to the magnetic field bend the magnetic field lines, and magnetic reconnection occurs where oppositely directed field lines come into contact.
Sonneting critical heat flux: New insights in boiling multiphase flow
Authors: Vadlamudi Sai Raja Gopal , Nayak Arun K.
Published: September 2020

Boiling—a process widely used for its good heat transferability—is limited by a phenomenon known as critical heat flux (CHF). Our experiments revealed a new CHF mechanism that is different from previously believed theories; we refer to it as “sonneting CHF.” At CHF, the flow pattern changes from bubbly flow to slug/churn flow and then to an unusual reverse annular flow, leading to a significant rise in the heater surface temperature. The reverse annular flow, however, does not sustain but breaks down into a chaotic flow pattern, resulting in unprecedented quenching of the heater surface. The flow pattern shortly reverts back to bubbly flow; this entire process repeats for a few cycles, where the heater surface temperature rises and falls with amplitudes increasing in each cycle until the heater trips. The maximum removal-surface heat flux is significantly higher than the CHF. This new understanding will enable flexible and innovative boiling systems for several energy applications.
Structural, optical, transport, and solar cell properties of 2D halide perovskite MAZX3 (Z = Pb, Sn, and X = Cl, Br, I)
Authors: Kumavat Sandip R. , Sonvane Yogesh , Gupta Sanjeev K.
Published: September 2020

We have investigated the structural, electronic, optical, and transport properties of 2D halide perovskite MAZX3 (MA = CH3NH3; Z = Pb, Sn; and X = Cl, Br, I) using density functional theory. The result suggests that as the atomic radius of halogen increases from Cl to I, the respective lattice constant increases, with a decrease in the bandgap. The bandgap of MAPbX3 is higher than that of MASnX3. The optical properties show that MAPbX3 has a higher static dielectric constant as compared to MASnX3. The optical activities of MAPbX3 and MASnX3 are in the visible region as well as the high ultraviolet region with a high absorption coefficient of 105 cm-1. Furthermore, we found that the carrier mobility of 2D perovskite is higher than the experimental value of bulk systems. The 2D MAPbCl3, MAPbBr3, and MASnCl3 show higher carrier mobility compared to the bulk system. In our outcome, lead-free MASnBr3 shows a higher efficiency of 28.62%, as compared to the 28.21% of MAPbI3. Our results could lead experimentalists to develop these materials for optoelectronics and solar cell device applications.
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
Authors: Wei Haixin , Qi Ruxi , Wang Junmei , Cieplak Piotr , Duan Yong , Luo Ray
Published: September 2020

Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing polarizable force fields for handling more complicated biomolecular processes. Here, we focus on a recently proposed polarizable Gaussian Multipole (pGM) model for biomolecular simulations. A key benefit of pGM is its screening of all short-range electrostatic interactions in a physically consistent manner, which is critical for stable charge-fitting and is needed to reproduce molecular anisotropy. Another advantage of pGM is that each atom’s multipoles are represented by a single Gaussian function or its derivatives, allowing for more efficient electrostatics than other Gaussian-based models. In this study, we present an efficient formulation for the pGM model defined with respect to a local frame formed with a set of covalent basis vectors. The covalent basis vectors are chosen to be along each atom’s covalent bonding directions. The new local frame can better accommodate the fact that permanent dipoles are primarily aligned along covalent bonds due to the differences in electronegativity of bonded atoms. It also allows molecular flexibility during molecular simulations and facilitates an efficient formulation of analytical electrostatic forces without explicit torque computation. Subsequent numerical tests show that analytical atomic forces agree excellently with numerical finite-difference forces for the tested system. Finally, the new pGM electrostatics algorithm is interfaced with the particle mesh Ewald (PME) implementation in Amber for molecular simulations under the periodic boundary conditions. To validate the overall pGM/PME electrostatics, we conducted an NVE simulation for a small water box of 512 water molecules. Our results show that to achieve energy conservation in the polarizable model, it is important to ensure enough accuracy on both PME and induction iteration. It is hoped that the reformulated pGM model will facilitate the development of future force fields based on the pGM electrostatics for applications in biomolecular systems and processes where polarization plays crucial roles.
Controlling collective synchrony in oscillatory ensembles by precisely timed pulses
Authors: Rosenblum Michael
Published: September 2020

We present an efficient technique for control of synchrony in a globally coupled ensemble by pulsatile action. We assume that we can observe the collective oscillation and can stimulate all elements of the ensemble simultaneously. We pay special attention to the minimization of intervention into the system. The key idea is to stimulate only at the most sensitive phase. To find this phase, we implement an adaptive feedback control. Estimating the instantaneous phase of the collective mode on the fly, we achieve efficient suppression using a few pulses per oscillatory cycle. We discuss the possible relevance of the results for neuroscience, namely, for the development of advanced algorithms for deep brain stimulation, a medical technique used to treat Parkinson’s disease.
A three-dimensional unified gas-kinetic wave-particle solver for flow computation in all regimes
Authors: Chen Yipei , Zhu Yajun , Xu Kun
Published: September 2020

In this paper, the unified gas-kinetic wave-particle (UGKWP) method has been constructed on a three-dimensional unstructured mesh with parallel computing for multiscale flow simulation. Based on the direct modeling methodology, the unified gas-kinetic scheme (UGKS) models the flow dynamics directly on the numerical mesh size and time step scales, and it is able to capture the flow dynamics from the kinetic scale particle transport to the hydrodynamic wave propagation seamlessly according to the local cell Knudsen number. Instead of discretizing the particle velocity space in UGKS, the UGKWP method is composed of evolution of deterministic wave and stochastic particles. With dynamic wave-particle decomposition according to the cell Knudsen number, the UGKWP method is able to capture the continuum wave interaction and rarefied particle transport under a unified framework and achieves high efficiency in different flow regimes. The UGKWP flow solver is constructed in three-dimensional space and is validated by many test cases at different Mach and Knudsen numbers. The examples include a 3D shock tube problem, lid-driven cubic cavity flow, high-speed flow passing through a cubic object, and hypersonic flow around a space vehicle. The parallel performance has been tested on the Tianhe-2 supercomputer, and reasonable parallel performance has been observed up to 1000 cores. With the wave-particle formulation, the UGKWP method has great potential in solving three-dimensional multiscale transport problems with the co-existence of continuum and rarefied flow regimes, especially for the high-speed rarefied and continuum flow simulation around a space vehicle in near-space flight, where the local Knudsen number can vary significantly with five or six orders of magnitude differences.
Theory of microstructure-dependent glassy shear elasticity and dynamic localization in melt polymer nanocomposites
Authors: Zhou Yuxing , Schweizer Kenneth S.
Published: September 2020

We present an integrated theoretical study of the structure, thermodynamic properties, dynamic localization, and glassy shear modulus of melt polymer nanocomposites (PNCs) that spans the three microstructural regimes of entropic depletion induced nanoparticle (NP) clustering, discrete adsorbed layer driven NP dispersion, and polymer-mediated bridging network. The evolution of equilibrium and dynamic properties with NP loading, total packing fraction, and strength of interfacial attraction is systematically studied based on a minimalist model. Structural predictions of polymer reference interaction site model integral equation theory are employed to establish the rich behavior of the interfacial cohesive force density, surface excess, and a measure of free volume as a function of PNC variables. The glassy dynamic shear modulus is predicted to be softened, reinforced, or hardly changed relative to the pure polymer melt depending on system parameters, as a result of the competing and qualitatively different influences of interfacial cohesion (physical bonding), free volume, and entropic depletion on dynamic localization and shear elasticity. The localization of polymer segments is the dominant factor in determining bulk PNC softening and reinforcement effects for moderate to strong interfacial attractions, respectively. While in the athermal entropy-dominated regime, the primary origin of mechanical reinforcement is the stress stored in the aggregated NP subsystem. The PNC shear modulus is often qualitatively correlated with the segment localization length but with notable exceptions. The present work provides the foundation for developing a theory of segmental relaxation, Tg changes, and collective NP dynamics in PNCs based on a self-consistent treatment of the cooperative activated motions of segments and NPs.
Analysis of free surface oscillations of a droplet due to ultrasonic wave impingement
Authors: Mahravan Ehsan , Naderan Hamid , Damangir Ebrahim
Published: September 2020

An analytical approach based on the linear potential theory is employed to enlighten the fundamental physics of atomization of droplets with an impinging sound wave, with a particular application in surface acoustic wave (SAW) atomization. When a plane sound wave, originated from the gas or the liquid side (resembling SAW), impinges on a liquid droplet, capillary waves are generated. It is shown that, for both cases, spatial phase-locking between the sound spherical modes and the free surface oscillations occurs. Hence, capillary waves will have the same spatial modes of the sound wave. The frequency spectrum analysis shows that the phase-locking causes two types of waves: the natural capillary waves with a wide range of frequencies, two to five orders of magnitude smaller than the impinging sound wave, and the forced wave, with a frequency equal to that of the sound wave. Since the instability of these surface waves leads to separation of droplets from the surface and the size of these droplets is correlated with the wavelength of the surface waves, this well explains the previous observations that droplets with a wide range of sizes are generated in the SAW experiments. Finally, a correlation is also proposed for predicting the atomized droplet size, which gives the size order for the generated droplets in SAW with good accuracy. The correlation could also suggest the possible size for remote atomization of the droplets by sound wave propagated in gas.
High energy density and high efficiency achieved in the Ca0.74Sr0.26Zr0.7Ti0.3O3 linear dielectric thin films on the silicon substrates
Authors: Chen Xiaoyang , Huang Binbin , Liu Yun , Wang Wenwu , Yu Ping
Published: September 2020

Linear dielectrics are promising candidates for high-performance energy storage applications with high efficiency, excellent thermal stability, and high reliability due to their low loss, high dielectric breakdown strength, and stable dielectric properties, which are independent of the electric field and temperature. However, their low dielectric constant or polarization restricts the stored electrical energy, which makes them less attractive for high energy density storage applications compared to relaxor ferroelectrics or anti-ferroelectrics. Here, we realized an ultrahigh energy density (Ue ∼ 59.4 J/cm3) and high efficiency (∼89%) simultaneously in the Ca0.74Sr0.26Zr0.7Ti0.3O3 (CSZT) linear dielectric thin film, which are competitive with those of other lead-based and lead-free dielectric films deposited on Si wafers. Moreover, the CSZT thin-film capacitor exhibits great thermal stability with the Ue variation less than 3% from −90 °C to 170 °C and good fatigue endurance with the Ue variation of 4.5% after 3 × 107 cycles at 10 kHz. This work also reveals that the exploration of advanced linear dielectric thin films with a medium dielectric constant would benefit from the development of high-performance energy-storage capacitors.
A dual mesh control domain method for the solution of nonlinear Poisson’s equation and the Navier–Stokes equations for incompressible fluids
Authors: Reddy J. N. , Kim Namhee , Martinez Matthew
Published: September 2020

In this study, the dual mesh control domain method, which employs the finite element approximation of the primary variables and the finite volume idea of satisfying the governing equations over a control domain, is used for the numerical solution of the Navier–Stokes equations governing the flows of viscous incompressible fluids using the penalty function formulation for two-dimensional analysis. The primal mesh is the mesh of finite elements used to interpolate the velocity field, while the dual mesh of control domains is used to satisfy the integral form of the Navier–Stokes equations, and thus, the method shares certain desirable features of the two popular methods. Numerical examples involving nonlinear Poisson’s equation and the Navier–Stokes equations are presented to illustrate the methodology and accuracy compared to the finite element and finite volume solutions, the latter depending on the scheme used to solve the discretized equations.
Causal inference in genetic trio studies
Authors: Bates Stephen , Sesia Matteo , Sabatti Chiara , Candès Emmanuel
Published: September 2020

Significance

The goal of genome-wide association studies is to identify meaningful relationships between genotypes and outcomes of interest. One challenge in the analysis of genetic data is that not all true statistical associations represent relevant biological activity; irrelevant but true associations can arise from the confounding effect of environmental conditions or other factors. We propose a method to analyze such data that is immune to this problem because it uses the variation in inheritance as a randomized experiment. The method can leverage any machine-learning algorithm as well as findings from other studies.
Transcription factor expression defines subclasses of developing projection neurons highly similar to single-cell RNA-seq subtypes
Authors: Heavner Whitney E. , Ji Shaoyi , Notwell James H. , Dyer Ethan S. , Tseng Alex M. , Birgmeier Johannes , Yoo Boyoung , Bejerano Gill , McConnell Susan K.
Published: September 2020

Significance

Neurons of the cerebral cortex arise from a common progenitor pool that progressively generates different cell subtypes with distinct features, including deep layer (DL) and upper layer (UL) projection neurons. Several transcription factors (TFs) are known to specify whether a progenitor cell will become UL or DL; however, it is still unknown which upstream and downstream factors contribute to this fate decision. Here, we deeply characterize differential gene expression and chromatin accessibility of UL and DL neurons. We identify TFs that are highly differentially expressed and densely regulated and find that UL neurons retain the transcriptomic signature of their mother cells. We also discover a previously unknown role for the TF Myt1l in cell fate specification.
Systemic complement activation is associated with respiratory failure in COVID-19 hospitalized patients
Authors: Holter Jan C. , Pischke Soeren E. , de Boer Eline , Lind Andreas , Jenum Synne , Holten Aleksander R. , Tonby Kristian , Barratt-Due Andreas , Sokolova Marina , Schjalm Camilla , Chaban Viktoriia , Kolderup Anette , Tran Trung , Tollefsrud Gjølberg Torleif , Skeie Linda G. , Hesstvedt Liv , Ormåsen Vidar , Fevang Børre , Austad Cathrine , Müller Karl Erik , Fladeby Cathrine , Holberg-Petersen Mona , Halvorsen Bente , Müller Fredrik , Aukrust Pål , Dudman Susanne , Ueland Thor , Andersen Jan Terje , Lund-Johansen Fridtjof , Heggelund Lars , Dyrhol-Riise Anne M. , Mollnes Tom E.
Published: September 2020

Significance

The new SARS-CoV-2 pandemic leads to COVID-19 with respiratory failure, substantial morbidity, and significant mortality. Overactivation of the innate immune response is postulated to trigger this detrimental process. The complement system is a key player in innate immunity. Despite a few reports of local complement activation, there is a lack of evidence that the degree of systemic complement activation occurs early in COVID-19 patients, and whether this is associated with respiratory failure. This study shows that a number of complement activation products are systemically, consistently, and long-lastingly increased from admission and during the hospital stay. Notably, the terminal sC5b-9 complement complex was associated with respiratory failure. Thus, complement inhibition is an attractive therapeutic approach for treatment of COVD-19.
GRIP1 regulates synaptic plasticity and learning and memory
Authors: Tan Han L. , Chiu Shu-Ling , Zhu Qianwen , Huganir Richard L.
Published: September 2020

Significance

AMPA receptors (AMPARs) are the principle postsynaptic glutamate receptors mediating fast excitatory synaptic transmission in the brain. Regulation of synaptic AMPAR expression is required for the expression of synaptic plasticity and normal brain function. The turnover of AMPARs within synapses is highly dynamic, and the molecular mechanisms underlying AMPAR trafficking remain unclear. Here we report that GRIP1, an AMPAR-binding protein, plays an essential role in delivering AMPAR into synapses during synaptic plasticity, particularly in long-term potentiation. In addition, the deletion of
Grip1
causes synaptic plasticity deficits and impaired learning and memory. Our study reveals a mechanism through which GRIP1 regulates AMPAR trafficking and impacts activity-dependent synaptic strengthening, as well as learning and memory.
Future markers in Western Romance
Authors: Detges Ulrich
Published: September 2020

In this article, which examines the cyclic evolution of future markers in Western Romance (mainly French and Spanish), I make use of the “satellite model” in the version proposed byKoch and Oesterreicher (1996)to capture the complex interplay between functional change, synchronic variation and sociolinguistic evolution. This model conceives of linguistic cycles as push-chains. Thus, I will argue, young future markers originally arise from argumentative patterns that are aimed at validating announcements concerning the speaker’s projected actions. The rationale behind these mechanisms is pragmatic efficiency rather than the functioning of the language system itself. Thus, linguistic systems usually contain more items than are technically needed to keep the language system operative. In the categories of the satellite model, a certain number of younger constructions (“satellites”) exist side-by-side with a canonical construction (i.e., a functionally and sociolinguistically unmarked item), which one of the former may eventually oust from its privileged position. As I will show by sketching the evolution of the numerous future markers of peninsular Spanish from the seventeenth to the twentieth century, this perspective allows a fresh look at the evolution of cycles. More often than not, the competition between the canonical form and its satellites does not cause the former’s replacement by the latter; rather, it normally ends with the obsolescence of one the satellites involved. The eventual replacement of the canonical form by a satellite – that is, the completion of a full cycle – represents a very special (and relatively rare) case.
Contemporary Migrant Health Experience and Unique Health Care Needs in European Prisons and Immigration Detention Settings
Authors: Lungu-Byrne Cassie , Germain Jennifer , Plugge Emma , Hout Marie Claire Van
Published: September 2020

Coinciding with mass population movement of migrants into Europe, populations of those incarcerated and detained in prisons and immigration detention settings have diversified significantly. A scoping review mapped and described extant literature on migrant health experience and unique support needs in these settings. Fifteen records fulfilled inclusion criteria and indicated that migrants are generally in good health on intake/committal, but have complex mental health needs and are particularly vulnerable to environmental and communication stressors in closed settings. Whilst the review underscores the need for operationalization of culturally sensitive health and wellbeing supports for migrants in prisons and immigration detention settings, it is recommended that States reduce their reliance on detention.