bluuebunny/crossref_metadata_2025 huggingface dataset:
Theoretical prediction of two-dimensional WSi2N4 materials for photocatalytic water splitting
Authors: Zhou Qi , Chen Jun-Liang , Wang XiaoYang , Liang Ji-Sheng , Xu Zhe , Wang Ping , Liao Yun-Tiao , Peng Ying , Miao Lei
Published: November 2022

Recently, novel two-dimensional (2D) crystals, MSi2N4 (M = Mo, W) materials, have been successfully synthesized experimentally and have comparable excellent catalytic properties as that of MoS2. The suitability of MA2Z4 family materials in photocatalytic water splitting can't be fully determined by whether the bandgap edge of the material cross the standard redox potential of water. Photoelectric properties and electron–hole separation are also critical factors to be considered. We investigated the bandgap edge positions and the photoelectric and the electron–hole excitation properties of 2D MoSi2N4 and its family of materials (CrSi2N4, WSi2N4) in water by first-principles calculations, and the results indicate that WSi2N4 may be a relatively high-performing photocatalyst. Relative to the MoSi2N4 bandgap (1.74 eV), the bandgap of WSi2N4 is 2.06 eV, and the conduction-band minimum edge band potential (−0.42 eV) is close to the hydrogen precipitation potential in water at pH = 7. The bandgaps of the MSi2N4 (M = Mo, W) materials cross the water redox potential (1.23 eV), and both have favorable adsorption for H2O molecules. However, compared with the absorption spectrum and excited states of MoSi2N4 in water, WSi2N4 exhibits a broader and more enhanced visible light absorption range and intensity as well as a higher electron–hole separation. 2D WSi2N4 could achieve the half-reaction of photocatalytic water splitting under visible light irradiation, and the photogenerated electrons in the conduction band can spontaneously reduce H+ ions to hydrogen, suggesting that WSi2N4 might be composed of a heterogeneous structure with other photocatalysts to accomplish the redox of water.
Comparing the accuracy of melting temperature prediction methods for high entropy alloys
Authors: Mishra Saswat , Guda Vishnu Karthik , Strachan Alejandro
Published: November 2022

Refractory complex concentrated alloys (RCCAs) are a relatively new class of materials that can exhibit excellent mechanical properties at high temperatures, and determining their melting temperature (Tm) is critical to assess their range of operation. Unfortunately, the experimental determination of this property is challenging and computational tools to predict the Tm of RCCAs from first-principles calculations are highly desirable. We quantify the uncertainties associated with such predictions for two methods that can be used with density functional theory-based molecular dynamics and apply them to predict the melting temperature of equiatomic NbMoTaW. We find that a combination of free energy calculations of individual phases with a dynamical coexistence method can provide accurate results with the minimum possible computational cost. We predict the melting temperature for the RCCA NbMoTaW to be between 3000 and 3100 K.
Testing the conservative character of particle simulations: II. Spurious heating of guiding centers and full orbits subject to fluctuations expressed in terms of E and B
Authors: Bierwage A. , Shinohara K.
Published: November 2022

For an axisymmetric tokamak plasma, Hamiltonian theory predicts that the orbits of charged particles must stay on invariant tori of conserved energy in the moving frame of reference of a wave that propagates along the torus with fixed angular phase velocity, amplitude, and shape. The mode structure in the poloidal plane is arbitrary if the fluctuations are expressed in terms of potentials Φ and A, which satisfy Faraday's law and the solenoidal condition by definition. Consequently, smoothing operations (such as gyroaveraging and noise suppression) do not violate the conservative laws. However, this is not guaranteed for models expressed in terms of the physical fields E and B. Here, we demonstrate that manipulations of E and B in the poloidal (R, z) plane can cause spurious heating that is independent of time steps or numerical methods, but can be sensitive to geometry. In particular, we show that secular acceleration is enhanced when one imposes nonnormal modes that possess strong up–down asymmetry instead of the usual in–out asymmetry of normal toroidal (eigen)modes. We compare full gyro-orbit and guiding center models and find similar behavior. We also examine the effect of ad hoc N-point gyroaveraging in a guiding center model, as is done in some simulation codes. If one uses Faraday's law to (re)compute B(t) after gyroaveraging E, the guiding center motion remains conservative. Otherwise, spurious heating should be expected and monitored, but it may be tolerable when normal modes dominate.
Quasi-3-dimensional simulations and experimental validation of surface leakage currents in high operating temperature type-II superlattice infrared detectors
Authors: Ramos D. , Delmas M. , Ivanov R. , Evans D. , Žurauskaitė L. , Almqvist S. , Becanovic S. , Höglund L. , Costard E. , Hellström P. E.
Published: November 2022

The surface leakage in InAs/GaSb type-II superlattice (T2SL) is studied experimentally and theoretically for photodiodes with small sizes down to 10 × 10 μm2. The dependence of dark current density on mesa size is studied at 110 and 200 K, and surface leakage is shown to impact both generation–recombination (GR) and diffusion dark current mechanisms. A quasi-3-dimensional model to simulate the fabrication process using surface traps on the pixel's sidewall is presented and is used to accurately represent the dark current of large and small pixels with surface leakage in the different temperature regimes. The simulations confirmed that the surface leakage current has a GR and diffusion component at low and high temperature, respectively. Finally, the surface leakage current has been correlated with the change in minority carrier concentration at the surface due to the presence of donor traps.
Hybrid plasma modeling of the interaction between the vacuum arc jet and the hot metallic particle near the current zero
Authors: Cao Zhiyuan , Li Rui , Cao Bo , Yan Wenlong , Sun Liqiong , Wang Jianhua , Geng Yingsan , Wang Zhenxing
Published: November 2022

In this paper, the interaction between the vacuum arc plasma jet and the hot metallic particle near current zero was investigated by numerical simulation. A vacuum arc plasma jet model was developed using the hybrid simulation method, in which electrons were considered as a massless fluid, while heavy particles such as atoms and ions were modeled as particles. In this model, the effect of the evaporation of metal atoms from the metallic particle was considered. Additionally, the Monte Carlo collision method was used to model inelastic collisions between electrons and heavy particles. The simulation results demonstrate that the metallic particle blocks the plasma jet, causing an asymmetric and nonuniform distribution in the plasma jet. Furthermore, some of the evaporated atoms from the hot metallic particle are converted into Cu1+ ions by ionization collisions with electrons. The drift velocity of Cu1+ ions coming from the ionization of metal vapor is much lower than that of highly energetic ions emitted from the cathode spot, making it difficult for them to be completely dissipated as soon as possible during the extinguishing phase. Moreover, the presence of a hot metallic particle causes an increase in the density of plasma in its surroundings, which increases the probability of arc reignition in the post-arc phase.
Multicolor light emission in manganese-based metal halide composites
Authors: Cai Weidong , Kuang Chaoyang , Liu Tianjun , Shang Yuequn , Zhang Jia , Qin Jiajun , Gao Feng
Published: November 2022

Manganese-based organic–inorganic metal halide composites have been considered as promising candidates for lead-free emitters. However, in spite of their excellent luminescence properties in green and red regions, blue emission—a critical component for white light generation—from pristine manganese-based composites is currently missing. In this work, we successfully achieve blue luminescence center in manganese-based composites through selecting specific organic component methylbenzylamine (MBA). Our approach is fundamentally different from green and red emission in manganese-based composites, which result from manganese-halide frameworks. The coexistence of different luminescence centers in our manganese-based composites is confirmed by photoluminescence (PL) and photoluminescence excitation (PLE) results. As a result of different photoluminescence excitation responses of different emission centers, the resulting emission color can be tuned with selecting different excitation wavelengths. Specifically, a white light emission can be obtained with Commission Internationale de l'éclairage coordinates of (0.33, 0.35) upon the 330 nm excitation. We further demonstrate the promise of our manganese-based composites in the anti-counterfeiting technology and multicolor lighting. Our results provide a novel strategy for full-spectral emission in manganese-based organic–inorganic metal halide composites and lay a solid foundation for a range of new applications.
Cascaded forward Brillouin lasing in a chalcogenide whispering gallery mode microresonator
Authors: Shanavas Thariq , Grayson Michael , Xu Bo , Zohrabi Mo , Park Wounjhang , Gopinath Juliet T.
Published: November 2022

We report the first observation of cascaded forward stimulated Brillouin scattering in a microresonator platform. We have demonstrated 25 orders of intramodal Stokes beams separated by a Brillouin shift of 34.5 MHz at a sub-milliwatt threshold at 1550 nm. An As2S3 microsphere of diameter 125 µm with a quality factor of 1 × 106 was used for this demonstration. Theoretical modeling is used to support our experimental observations of Brillouin shift and threshold power. We expect our work will advance the field of forward stimulated Brillouin scattering in integrated photonics, with applications in gas sensing and photonic radio frequency sources.
Time-domain thermoreflectance (TDTR) data analysis using phonon hydrodynamic model
Authors: Xiang Zeyu , Jiang Puqing , Yang Ronggui
Published: November 2022

Time-domain thermoreflectance (TDTR) is a powerful pump–probe technique for measuring thermal properties of materials and interface thermal conductance. However, a diffusive thermal transport model is often used for data analysis, leading to underestimated thermal conductivities for high thermal conductivity materials, for example, single-crystalline semiconductors like Si at low temperatures. In this work, we have developed a theoretical model based on phonon hydrodynamics, an approximation of the phonon Boltzmann transport equation, for TDTR data analysis. We apply this model to process the TDTR signals of Si measured between 80 and 300 K. The extracted thermal conductivities using the phonon hydrodynamic model agree remarkably well with the bulk values measured by the steady-state technique, providing a more appropriate way of TDTR data analysis. The effectiveness of the phonon hydrodynamic model is further verified by analyzing TDTR signals of Ge at room temperature.
Differentiable quantum chemistry with PySCF for molecules and materials at the mean-field level and beyond
Authors: Zhang Xing , Chan Garnet Kin-Lic
Published: November 2022

We introduce an extension to the PySCF package, which makes it automatically differentiable. The implementation strategy is discussed, and example applications are presented to demonstrate the automatic differentiation framework for quantum chemistry methodology development. These include orbital optimization, properties, excited-state energies, and derivative couplings, at the mean-field level and beyond, in both molecules and solids. We also discuss some current limitations and directions for future work.
Lubrication effects on droplet manipulation by electrowetting-on-dielectric (EWOD)
Authors: Yamamoto K. , Takagi S. , Ichikawa Y. , Motosuke M.
Published: November 2022

Electrowetting has the potential to realize stand-alone point-of-care devices. Here, we report droplet-migration characteristics on oil-infused electrowetting-on-dielectric substrates. We prepare sparse micropillars to retain the oil layer in order to exploit the layer as a lubricating film. A physical model of the droplet velocity is developed, and the effects of the lubrication, the oil viscosity, the droplet volume, and the thickness of solid and liquid dielectric layers are discussed. It is found that the droplet velocity is scaled as U≈E2, which differs from a relationship of U≈E3, which is predicted from the dominant drag force for droplets sliding down on liquid-infused surfaces by gravity. Furthermore, our device achieves droplet velocity (19 μl) of ∼1 mm s−1 at the applied voltage of 15 V. The velocity is approximately tenfold as high as the same condition (applied voltage and oil viscosity) on porous-structure-based liquid-infused surfaces. The achieved high velocity is explained by a lubrication-flow effect.
Uneven crystallization of lead halide perovskite in the carbon-electrode based, low-temperature mesoscopic perovskite solar cells
Authors: Rong Qing , Guo De’en , Ma Jiao , Lin Siyuan , Huang Han , Kong Deming , Gao Yongli , Zhou Conghua
Published: November 2022

Crystallization of perovskite is monitored in carbon-electrode based, low-temperature, mesoscopic perovskite solar cells. Crystallographic and morphological properties of the perovskite are examined through changes in the film thickness of carbon-electrode or the volume of perovskite precursor. It is observed that, when a relatively thin carbon-electrode or large volume of perovskite precursor is used, perovskite crystallites mainly form on the device surface, leaving the bottom part of the device un-wetted. However, if a thicker carbon-electrode or less perovskite precursor is used, crystallization could be seen in the whole porous skeleton, and relative uniform distribution of perovskite crystallites is achieved. As such, uneven crystallization is observed. Such behavior is due to solvent evaporation on the surface, which facilitates nucleation processes on the surface, while retards crystallization on the bottom due to the Ostwald ripening effect. Charge transfer/recombination processes and photo-to-electric power conversion properties are studied. As expected, uneven crystallization results in retarded charge transfer and increased risk of recombination, and poor power conversion efficiency, for example, ∼3%. In contrast, uniform crystallization accelerates charge transfer and reduces recombination risk, and increases the efficiency to higher than 11% (AM1.5G, 100 mW/cm2).
Negative Poisson's ratio effect of P2/m phosphine
Authors: Zhou Chunli , Bai Lingling , Gao Yifan , Liang Xiao , Sun Jiaying , Yang Shaohua , Wen Minru , Wu Fugen , Dong Huafeng
Published: November 2022

Negative Poisson's ratio materials have the advantages of good shear resistance, dent resistance, and fracture resistance. Thus, they have great application potential in the manufacturing field with high requirements for material mechanical flexibility. However, negative Poisson's ratio materials are relatively rare. In this paper, the first principles calculation is used to study the single-layer P2/m-P phosphorene. It is found that when −5% to 5% strain is applied along the zigzag (Y) direction, there is a negative Poisson's ratio effect along the Z direction, and Poisson's ratio is −0.288, which is about ten times that of the single-layer black phosphorus (the negative Poisson's ratio of the single-layer black phosphorus is −0.027). Compared with black phosphorene, it has more potential applications in wearable and impact resistant equipment.
Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution
Authors: Imamura Kosuke , Yokogawa Daisuke , Higashi Masahiro , Sato Hirofumi
Published: November 2022

We propose a new hybrid approach combining quantum chemistry and statistical mechanics of liquids for calculating the nuclear magnetic resonance (NMR) chemical shifts of solvated molecules. Based on the reference interaction site model self-consistent field with constrained spatial electron density distribution (RISM–SCF–cSED) method, the electronic structure of molecules in solution is obtained, and the expression for the nuclear magnetic shielding tensor is derived as the second-order derivative of the Helmholtz energy of the solution system. We implemented a method for calculating chemical shifts and applied it to an adenine molecule in water, where hydrogen bonding plays a crucial role in electronic and solvation structures. We also performed the calculations of 17O chemical shifts, which showed remarkable solvent dependence. While converged results could not be sometimes obtained using the conventional method, in the present framework with RISM–SCF–cSED, an adequate representation of electron density is guaranteed, making it possible to obtain an NMR shielding constant stably. This introduction of cSED is key to extending the method’s applicability to obtain the chemical shift of various chemical species. The present demonstration illustrates our approach’s superiority in terms of numerical robustness and accuracy.
Motion of dark solitons in a non-uniform flow of Bose–Einstein condensate
Authors: Ivanov S. K. , Kamchatnov A. M.
Published: November 2022

We study motion of dark solitons in a non-uniform one-dimensional flow of a Bose–Einstein condensate. Our approach is based on Hamiltonian mechanics applied to the particle-like behavior of dark solitons in a slightly non-uniform and slowly changing surrounding. In one-dimensional geometry, the condensate’s wave function undergoes the jump-like behavior across the soliton, and this leads to generation of the counterflow in the background condensate. For a correct description of soliton’s dynamics, the contributions of this counterflow to the momentum and energy of the soliton are taken into account. The resulting Hamilton equations are reduced to the Newton-like equation for the soliton’s path, and this Newton equation is solved in several typical situations. The analytical results are confirmed by numerical calculations.
2D rare-earth metal carbides (MXenes) Mo2NdC2T2 electronic structure and magnetic properties: A DFT + U study
Authors: Yao Shukai , Anasori Babak , Strachan Alejandro
Published: November 2022

2D rare-earth metal carbides (MXenes) are attractive due to their novel electronic and magnetic properties and their potential as scalable 2D magnets. In this study, we used density functional theory with the Hubbard U correction to characterize the structure, termination, and magnetism in an out-of-plane ordered rare-earth containing M3C2Tx MXene, Mo2NdC2T2 (T = O or OH). We investigated the effect of the U parameter on the stability and magnetism of two possible termination sites: the hollow sites aligned with the inner Nd atoms (Nd-hollow sites) and those aligned with the closest C atoms (C-hollow sites). We found that increasing UMo stabilized the Nd hollow sites, which minimized electrostatic repulsion between C and O atoms. Using UMo = 3.0 eV and UNd = 5.6 eV, obtained via the linear response method, we found that the energetically preferred termination site was C-hollow in Mo2NdC2O2 and Nd-hollow in Mo2NdC2(OH)2. Regardless of termination and the Hubbard U value, we found Mo2NdC2O2 and Mo2NdC2(OH)2 to be magnetic. The C-hollow termination resulted in ferromagnetic states for all Hubbard U tested with no magnetic moment in Mo. In the case of Nd-hollow, Mo became magnetic for UMo ≥ 4 eV. The difference of Mo magnetism in Nd-hollow and C-hollow was explained by crystal field splitting of the Mo d orbital caused by a distorted ligand.
Peculiarities of the pyroelectric current generated using a LiNbO3 single crystal driven by low-frequency sinusoidal temperature variation
Authors: Oleinik A. , Gilts M. , Karataev P. , Klenin A. , Kubankin A.
Published: November 2022

Lithium niobate (LiNbO3) single crystal is one of the pyroelectric materials, which can be applicable in energy storage and conversion devices. A theoretical and experimental study of the sinusoidal temperature variation of a single crystal of LiNbO3 with ultra-low frequency of 1–80 mHz is presented here. The previously unreported phenomenon of the optimal frequency range with the maximum amplitude of pyroelectric current oscillations is shown. It is noted that the observed effect is very sensitive to the thermal properties of the material. The impact of thermal properties of the crystal on the optimal frequency range is discussed. The accurate calculations of the pyroelectric coefficient using sinusoidal temperature variation are introduced. The observed phenomenon can be applied in pyroelectric energy converters and storage devices having a cycle time of 10–1000 s.
Study of electrical transport properties of GaN-based side-gate heterostructure transistors
Authors: Zhou Heng , Lv Yuanjie , Wang Mingyan , Cui Peng , Lin Zhaojun
Published: November 2022

In this study, GaN-based side-gate heterostructure transistors (SGHTs) with two electrical operating modes were fabricated. In the first operating mode, the SGHT was utilized as a common-source voltage amplifier with low power consumption and a broad input signal range. Analysis of the main scattering mechanisms affecting the electrical transport of two-dimensional electron gas (2DEG) in the channel revealed that polar optical phonon scattering and polarization Coulomb field (PCF) scattering play dominant roles under different side-gate voltages. In addition, channel current modulation of 2DEG electron mobility is primarily attributed to PCF scattering. Due to PCF scattering, the channel width also modulates the threshold voltage in this mode of operation. Moreover, in the second operating mode, the SGHT functioned as a traditional GaN high electron mobility transistor, allowing for electrically modulated threshold voltage and transconductance.
The universality of strength and plastic deformation in FCC concentrated solid solution (CSS) alloys at room and cryogenic temperatures
Authors: Ding Qingqing , Ouyang Jie , Zhang Yuefei , Wei Xiao , Zhang Ze , Bei Hongbin
Published: November 2022

To reveal if universal rules may exist in face centered cubic (FCC) concentrated solid solution (CSS) alloys for strength and plastic deformation at room and cryogenic temperatures, we select a FCC CSS superalloy Haynes 188 to demonstrate the deformation mechanisms from atomic to micrometer scales. In FCC CSS alloys, the yield strength (YS) is intrinsically determined by atomic/modulus mismatches and affected extrinsically by grain size; the tensile strength and elongation to fracture (EF) are governed by the plastic process where low stacking fault energy is beneficial. Moreover, almost all CSS alloys show that YS and EF increase simultaneously with the decrease in the temperature. Our findings may expand alloy application and can be used as a design strategy for stronger and tougher alloys.
Micro-fabricated caesium vapor cell with 5 mm optical path length
Authors: Dyer T. , Ingleby S. J. , Dunare C. , Dodds K. , Lomax P. , Griffin P. F. , Riis E.
Published: November 2022

Micro-fabricated vapor cells have applications in a number of emerging quantum technology-based devices including miniaturized atomic magnetometers, atomic clocks, and frequency references for laser systems. Increasing the cell optical path length (OPL) and smallest cell dimension are normally desirable to increase the signal to noise ratio (SNR) and minimize the de-polarization rate due to collisions between atomic or molecular species and the cell walls. This paper presents a fully wafer-level scalable fabrication process to manufacture vapor cells with dimensions approaching those of glass-blown cells. The fabrication process is described, and spectroscopic measurements (optical absorption and magnetic resonance) are reported. A magnetic resonance linewidth of 350 Hz is demonstrated, and this is the smallest linewidth reported to date for a micro-fabricated vapor cell.
Typical at glance but interesting when analyzed in detail: A story of Tris hydration
Authors: Agieienko V. , Neklyudov V. , Buchner R.
Published: November 2022

This paper provides results of dielectric relaxation (DR) spectroscopy of aqueous solutions of tris(hydroxymethyl)aminomethane (Tris) covering frequencies of 0.05 ≤ ν/GHz ≤89. The DR spectra can be well fit by a sum of Cole–Cole relaxation, assigned to the solute, and 2 Debye modes already observed for neat water. Analysis of the amplitudes reveals that Tris is hydrated by 7 H2Os up to its solubility limit. However, the rather high effective solute dipole moment of ≈12 D suggests that H2O dipoles in contact with Tris should reorient independently from it. Accordingly, an alternative description of the DR spectra with a superposition of 4 Debyerelaxations was attempted. In this model, the slowest mode at ∼4 GHz arises from solute reorientation and that at ∼8 GHz was assigned to dynamically retarded hydration water, whereas relaxations at ∼18 and ∼500 GHz are again those of (rather unperturbed) bulk water. Analysis of the solvent-related modes shows that Tris indeed slows down 7–8 H2O molecules. However, the solute–solvent interaction strength is rather weak, excluding the rotation of an alleged Tris-(7–8) H2O cluster as an entity. The now derived effective dipole moment of (6.3 ± 0.5) D for the bare Tris molecule allows speculations on its conformation. With the help of computational methods, we suggest that Tris dissolved in water most likely possesses an intramolecular H-bond between the nitrogen and hydrogen atoms of amino and hydroxyl groups, respectively. In addition, computational results indicate that the seven hydration H2Os found by DR bind directly to the Tris OH groups.
VpdC is a ubiquitin-activated phospholipase effector that regulates
Legionella
vacuole expansion during infection
Authors: Li Xiao , Anderson D. Eric , Chang Yuen-Yan , Jarnik Michal , Machner Matthias P.
Published: November 2022

Intravacuolar pathogens need to gradually expand their surrounding vacuole to accommodate the growing number of bacterial offspring during intracellular replication. Here we found that
Legionella pneumophila
controls vacuole expansion by fine-tuning the generation of lysophospholipids within the vacuolar membrane. Upon allosteric activation by binding to host ubiquitin, the type IVB (Dot/Icm) effector VpdC converts phospholipids into lysophospholipids which, at moderate concentrations, are known to promote membrane fusion but block it at elevated levels by generating excessive positive membrane curvature. Consequently,
L. pneumophila
overproducing VpdC were prevented from adequately expanding their surrounding membrane, trapping the replicating bacteria within spatially confined vacuoles and reducing their capability to proliferate intracellularly. Quantitative lipidomics confirmed a VpdC-dependent increase in several types of lysophospholipids during infection, and VpdC production in transiently transfected cells caused tubulation of organelle membranes as well as mitochondria fragmentation, processes that can be phenocopied by supplying cells with exogenous lysophospholipids. Together, these results demonstrate an important role for bacterial phospholipases in vacuolar expansion.
The development and preliminary validation of a new measure of self-efficacy
Authors: Kutuk Gulsah , Putwain David W. , Kaye Linda K. , Garrett Bethan
Published: November 2022

Learners’ self-efficacy plays a crucial role in achieving success in second language (L2) acquisition. As a
determinant of success and failure, self-efficacy should be measured appropriately and effectively using empirically and
theoretically based instruments. Many of the current measures, however, are either not necessarily designed to assess
self-efficacy in L2 learning, or they are lengthy, making them impractical to use alongside other instruments. The purpose of this
study was therefore to develop and validate a new 11-item Questionnaire of Self-Efficacy in Learning a Foreign Language (QSLL). In
Study 1, the initial items were piloted with 323 English as a foreign language (EFL) learners from three universities in Turkey.
In Study 2, a revised version of the questionnaire was administered to 701 EFL learners from an additional three Turkish
universities. The analyses supported a bifactor model over the other four models tested. The bifactor model had one general L2
self-efficacy factor that underlined each of the items. Separately, there were two specific factors, namely L2 reception (i.e.,
reading and listening) self-efficacy and L2 production (i.e., speaking and writing) self-efficacy. Empirical evidence supporting
measurement invariance and predictive validity were also provided. Overall, the results show strong evidence for the reliability
and validity of the QSLL. Implications for research and practice are discussed.
“Our nights do not belong to us”
Authors: Wosińska Weronika , Zagórska Wanda
Published: November 2022

The research aim was to gain a more thorough understanding of the experiences by former prisoners of the trauma
of the time spent in a Nazi concentration camp and reworking it by dreaming. The material comprised 117 written accounts obtained
by psychiatrist Stanisław Kłodziński in the 1970s from 38 former Polish national prisoners of KL Auschwitz-Birkenau (17 women and
21 men). A quantitative and qualitative analysis of the narratives was carried out and two types of dreams were compared in terms
of chosen characteristics: camp and post-camp dreams. Camp experiences and a negative emotional tone occurred significantly more
often in post-camp dreams. The “beauty” and “symbolicity” categories were present significantly more frequently in camp dreams. It
was found that motives related to the time spent in the camp appeared persistently in dreams. This was accompanied by a negative
affect and lack of symbolicity typical of PTSD nightmares.
A local pointwise inequality for a biharmonic equation with negative exponents
Authors: Chen Fan , Chen Jianqing , Ruan Qihua
Published: November 2022

In this paper, we are inspired by Ngô, Nguyen and Phan’s (2018 Nonlinearity
31 5484–99) study of the pointwise inequality for positive C
4-solutions of biharmonic equations with negative exponent by using the growth condition of solutions. They propose an open question of whether the growth condition is necessary to obtain the pointwise inequality. We give a positive answer to this open question. We establish the following local pointwise inequality

−

Δ
u

u

+
α

|
∇
u

|

2

u

2

+
β

u

−

q
+
1

2

⩽

C

R

2

for positive C
4-solutions of the biharmonic equations with negative exponent

−

Δ

2

u
=

u

−
q

i
n

B

R

where B

R
denotes the ball centered at x
0 with radius R, n ⩾ 3, q > 1, and some constants α ⩾ 0, β ⩾ 0, C > 0.
Development of low noise pixels and readout architectures for scientific applications in a 180 nm CMOS image sensor process
Authors: Sedgwick I. , Benhammadi S. , Guerrini N. , Marsh B.
Published: November 2022

Noise values of below 1e− for CMOS Image Sensors are now regularly reported for pixels with high conversion gain. This has allowed advances in many fields of imaging. However, there are also scientific applications where other properties such as radiation hardness are required alongside good noise performance. The layout changes required for this however, often lead to a reduction in conversion gain, making achieving the noise performance more challenging. In this paper, we present PRECISE, a test chip designed to apply the techniques of low noise imaging to pixels for other scientific applications, particularly those requiring radiation hardness. The design of the chip will be discussed, and first test results presented on some of the pixel types on the chip.
Extended producer responsibility for fossil fuels
*
Authors: Jenkins Stuart , Kuijper Margriet , Helferty Hugh , Girardin Cécile , Allen Myles
Published: November 2022

Energy policy faces a triple challenge: increasing resilience and guaranteeing the security of supply of both fossil and non-fossil energy, minimising the impact on consumer energy prices, and retaining consistency with Paris Agreement climate goals. High prices and producer rents, however, also present an opportunity: to open a conversation about applying the principle of extended producer responsibility (EPR) to fossil fuels. We demonstrate that this could deconflict energy security and climate policy at an affordable cost by stopping fossil fuels from causing further global warming. Implementing EPR through a combination of geological CO2 storage and nature-based solutions can deliver net zero at comparable or lower costs than conventional scenarios driven with a global carbon price and subject to constraints on CO2 storage deployment. It would also mean that the principal beneficiary of high fossil fuel prices, the fossil fuel industry itself, plays its part in addressing the climate challenge while reducing the risk of asset stranding.
The effect of electron beam surface remelting on the wear behavior of Ti-6Al-4V by EBF3
Authors: Sun Shihao , Qian Ning , Yao Zhengjun , Su Honghua
Published: November 2022

Ti-6Al-4V alloy is one of the key materials in the aerospace and chemical industries. Additive manufacturing (AM), e.g., electron beam freeform fabrication (EBF3), is increasingly applied to manufacture the titanium part due to its low cost, high flexibility, high efficiency, etc. At the same time, the wear resistance and hardness of the Ti-6Al-4V alloy synthesized by AM can deteriorate during fabrication. In this paper, electron beam surface remelting (EBSR) is used to improve the wear resistance and hardness of the titanium alloy made by EBF3. The phase, microstructure, element composition, and wear track profile of layers remelted at three EBSR-beam currents were analyzed. According to the results, the synthesized alloy consists of a homogeneous α′ martensitic structure with numerous embedded nano-scale particles rather than a dual α + β lamellar structure when a rapid cooling rate is applied during EBSR. Simultaneously, the coarser prior-β grain boundary was eliminated in the process. The wear rate of the as-obtained remelted layers at the EBSR-beam currents of 0 (as-deposited), 3, 6, and 9 mA was determined as 7.7 × 10−10, 5.7 × 10−10, 7.9 × 10−10, and 8.9 × 10−10 m3/Nm, respectively. The evolution of the structure accounts for the high hardness and superior wear resistance. EBSR successfully modified the as-deposited microstructure to achieve favorable wear properties, which widens the application potential and extends service life.
Optimizing parameter for electrophoretic deposition of hydroxyapatite coating with superior corrosion resistance on pure titanium
Authors: Rahmadani Sri , Anawati Anawati , Gumelar Muhammad Dikdik , Hanafi Razie , Jujur I Nyoman
Published: November 2022

Bioactive hydroxyapatite (HA) coating is applied on a commercially pure Ti by electrophoretic deposition (EPD). Optimizing the coating structure is necessary to obtain a stable layer and the best corrosion protection. The EPD was conducted at a constant voltage of 20, 30, and 40 V for 30 min in a HA/DMF (dimethylformamide) suspension. Uniform HA layers with a Ca/P ratio of 1.82 were successfully deposited on the Ti surface. The layers, which consisted of HA grains with the size of 1–5 μm, exhibited a gradual increase in thickness of 32, 50, and 60 μm with formation voltage. For the biomedical application, the suitable coating thickness was at least 50 μm. The high compaction of HA grains deposited at 30 V led to an order magnitude higher polarization resistance and ten times lower corrosion current density relative to the other specimens. The porous HA layer formed at 20 V, and the presence of cracks in the 40 V-coating led to a lower corrosion resistance relative to the 30-V coating. The 20 V- and 30 V-coatings remained intact and triggered the deposition of HA during immersion in simulated body fluid for 28 days, while the 40 V-coating dissolved into the solution. The optimum EPD voltage for depositing a stable HA coating with reasonable coating thickness and the best corrosion resistance was 30 V.
Turbulent boundary layer control with DBD plasma actuators
Authors: LI Yueqiang , WU Bin , GAO Chao , ZHENG Haibo , WANG Yushuai , YAN Rihua
Published: November 2022

The flat-plate turbulent boundary layer at Re

τ
= 1140 is manipulated using a spanwise array of bidirectional dielectric barrier discharge (DBD) plasma actuators. Based on the features of no moving mechanical parts in the DBD plasma control technology and hot-wire anemometer velocity measurements, a novel convenient method of local drag reduction (DR) measurement is proposed by measuring the single-point velocity within the linear region of the viscous sublayer. We analyze the premise of using the method, and the maximum effective measurement range of −73.1% < DR < 42.2% is obtained according to the experimental environment in this work. The local drag decreases downstream of the center of two adjacent upper electrodes and increases downstream of the upper electrodes. The magnitude of the local DR increases with increasing voltage and decreases as it moves away from the actuators. For the spanwise position in between, the streamwise distribution of the local DR is very dependent on the voltage. The variable-interval time-average detection results reveal that all bursting intensities are reduced compared to the baseline, and the amount of reduction is comparable to the absolute values of the local DR. Compared with previous results, we infer that the control mechanism is that many meandering streaks are combined together into single stabilized streaks.
Computational investigations of the excited state dynamics and quenching mechanisms of polycyclic aromatic hydrocarbon DNA adducts in solution
Authors: Effah Solomon Yamoah , Kaushalya W K D N , Hix Mark A , Walker Alice R
Published: November 2022

Synthetically modified fluorescent nucleotides (SFNs) are highly popular in a variety of experiments to explore biochemistry in molecular imaging, but the connection between their photodynamics and quenching mechanisms to their molecular structure remain relatively unstudied computationally. We combine various levels of theory, including classical force field dynamics and excited state quantum mechanic/molecular mechanic Born–Oppenheimer dynamics to characterize a set of polycyclic aromatic hydrocarbon based substituents bound to cytidine (dC) and guanine (dG) nucleobases. We specifically focus on perylene (P) bound to C5 and C6 of dC, and the naturally occurring benzo[a]pyrene diol epoxide (B[a]PDE) on dG. We find that specific angles of the connection points between them modulate mechanisms of intramolecular charge transfer, where an electron moves from P to dC and dG to B[a]PDE once an optimal angle is reached. Functionalization location and flexibility of the substituent affect access to these angles and, therefore, the amount of rapid charge transfer quenching of the fluorescence that we observe. This work demonstrates that the choice of functionalization location for SFNs changes the accessibility of charge transfer mechanisms via steric hindrance, and suggest that this feature can be applied for future tuning of fluorescence properties.
Zygmund type and flag type maximal functions, and sparse operators
Authors: Flores Guillermo , Li Ji , Ward Lesley
Published: November 2022

We prove that the maximal functions associated with a Zygmund dilation dyadic structure in three-dimensional Euclidean space, and with the flag dyadic structure in two-dimensional Euclidean space, cannot be bounded by multiparameter sparse operators associated with the corresponding dyadic grid. We also obtain supplementary results about the absence of sparse domination for the strong dyadic maximal function.
Preprint Highlight: Zasp52 strengthens whole embryo tissue integrity through supracellular actomyosin networks
Authors: Ríos-Barrera Luis Daniel
Published: November 2022

Tissue folding requires proper coordination between constricting cells and their neighbors that are not undergoing cell shape changes. Many studies have addressed how different cell populations contribute to tissue rearrangements but few have shown how forces are then restrained to specific compartments. Here, the authors show that Zasp52 acts as a coordinator between junctional actomyosin in different tissues during embryogenesis in Drosophila melanogaster. Zasp52 reinforces actomyosin supracellular cables at tissue boundaries, balancing force distribution and allowing cell shape changes to occur. This model explains how force propagation is restrained to a given tissue through the action of actomyosin cables and Zasp52, which create boundaries that mechanically isolate tissues as they are being rearranged. Given the evolutionary conservation of Zasp52, it may also perform similar roles during development in other animals.

This preprint has been assigned the following badges: New Hypothesis, Cross-Validation, Open Data.

Read the preprint on bioRxiv ( Ashour et al., 2022 ): https://doi.org/10.1101/2022.10.11.511783 .
Radiesse Rescue: A Preliminary Study for a Simple and Effective Technique for the Removal of Calcium Hydroxyapatite–Based Fillers
Authors: Cohen Steven R , Patton Sarah , Wesson Jordan , Tiryaki K Tunc , Mora Alexandra
Published: November 2022

Background

Radiesse, or calcium hydroxyapatite (CaHA), is a semipermanent, biodegradable injectable filler that provides immediate aesthetic improvement, while also stimulating neocollagenesis for biological effects. The physical properties of CaHA make it difficult, if not impossible, to remove. Unlike some hyaluronic acid–based fillers, CaHA cannot be easily dissolved.

Objectives

The aim of this study was to present a simple and reliable technique for debulking and removing excess CaHA in the event of nodule formation, vascular compression, or overcorrection.

Methods

An 18-gauge needle was used to make an incision near the filler excess. A 1-mm-diameter grater-type microliposuction cannula (Lipocube, Inc.; London, UK) was attached to a 5- to 10-mL syringe under negative pressure. The cannula under syringe suction was used in a back-and-forth reaming motion beginning in the base of the material and gradually moving toward the surface until the desired effect was achieved. Identification of the CaHA can be established and removal confirmed with ultrasound (Clarius, Inc.; Vancouver, BC, Canada) if available.

Results

Although nodules, excess material and vascular compression secondary to CaHA are very rare occurrences, 4 patients were treated with excess material and/or nodules. In 1 patient, the prominent cheek filler was reduced and a 1-cm nodule that was palpable in the buccal region was eliminated. In the other 3 other patients, the palpable excess material was easily removed, in 2 at the time of injection and in the third, 6 months later. No patient required repeat treatment or replacement.

Conclusions

This removal technique has been shown to adequately remove excess CaHA filler but is not applicable to inadvertent intravascular injection.
Allopatric origin, secondary contact and subsequent isolation of sympatric rockfishes (Sebastidae: Sebastes) in the north-western Pacific
Authors: Muto Nozomu , Kai Yoshiaki
Published: November 2022

Understanding how speciation occurs is central to biology. Gene flow between diverging taxa is correlated with geography and other aspects of speciation; therefore, the examination of gene flow during divergence is a potent approach to understanding the nature of speciation. Here, we inferred the speciation process of the sympatric rockfishes Sebastes steindachneri and Sebastes wakiyai in the north-western Pacific and its marginal seas based on genome-wide single nucleotide polymorphism and mitochondrial DNA data. Model-based demographic inference showed that gene flow between the two species was absent in the initial and late stages of divergence and present only in the middle stage. Population expansion occurred before or during the period of gene flow. The estimated timings of the initial divergence and population expansion fell within the Pleistocene, during which the seas currently inhabited by the two species were repeatedly isolated and reconnected. Contemporary isolation was supported by the absence of hybrids and the shared mitochondrial DNA haplotypes. Our results suggest that the two species initially diverged in allopatry, followed by secondary contact and introgression and by the completion of reproductive isolation. Given that complete isolation following secondary contact has rarely been tested or documented in marine organisms, we highlight the importance of careful consideration of alternative divergence scenarios to be tested, which should take into account the geological and environmental settings.
Climate shapes patterns of sexual size and shape dimorphism across the native range of the green anole lizard,Anolis carolinensis(Squamata: Dactyloidae)
Authors: Toyama Ken S , Mahler D Luke , Goodman Rachel M
Published: November 2022

Geographical variation in sexual size dimorphism (SSD) can result from the combined effects of environmental and sexual selection. To understand the determinants of SSD across geographical landscapes, we tested for relationships between SSD and climatic variables in the widespread lizard Anolis carolinensis. To distinguish alternative hypotheses for observed patterns of variation in SSD, we also examined sex-specific patterns of body size evolution and asked whether SSD was associated with certain patterns of sexual shape dimorphism. We found strong evidence for Rensch’s rule (an increase in male-biased SSD with average body size) in A. carolinensis and evidence for the reversed version of Bergmann’s rule (an increase in body size towards warmer environments) in males. Across populations, SSD was positively related to temperature; however, female body size was not related to any climatic variable, suggesting that the latitudinal gradient of SSD might be driven by a gradient in the intensity of sexual selection acting on males. Sexual size dimorphism was positively correlated with sexual dimorphism in head shape and negatively correlated with limb length dimorphism, suggesting that sexual selection in males might drive the evolution of SSD and that differences in size and limb shape between sexes might represent alternative strategies to avoid competition for the same resources.
Existence of matching priors on compact spaces
Authors: Duanmu Haosui , Roy Daniel M , Smith Aaron
Published: November 2022

A matching prior at level $1-\alpha$ is a prior such that an associated $1-\alpha$ credible region is also a $1-\alpha$ confidence set. We study the existence of matching priors for general families of credible regions. Our main result gives topological conditions under which matching priors for specific families of credible regions exist. Informally, we prove that, on compact parameter spaces, a matching prior exists if the so-called rejection-probability function is jointly continuous when we adopt the Wasserstein metric on priors. In light of this general result, we observe that typical families of credible regions, such as credible balls, highest-posterior density regions, quantiles, etc., fail to meet this topological condition. We show how to design approximate posterior credible balls and highest-posterior density regions that meet these topological conditions, yielding matching priors. Finally, we evaluate a numerical scheme for computing approximately matching priors based on discretization and iteration. The proof of our main theorem uses tools from nonstandard analysis and establishes new results about the nonstandard extension of the Wasserstein metric that may be of independent interest.