bluuebunny/crossref_metadata_2025 huggingface dataset:
Self-Disclosure Experiences of Adults Who Stutter: An Interpretative Phenomenological Analysis
Authors: Young Megan M. , Byrd Courtney T. , Gabel Rodney , White Andrew Z.
Published: August 2022

Purpose:

Self-disclosure describes the act of revealing personal information to another person. To date, researchers in the area of stuttering have primarily demonstrated the utility of self-disclosure through analysis of listener perceptions. This study explores the utility of informative self-disclosure use from the perspectives of adults who stutter with experience using this strategy over time and across contexts.

Method:

Twelve adults who stutter discussed their self-disclosure experiences in semistructured interviews. Interview transcripts were analyzed using interpretative phenomenological analysis to produce themes reflecting the most salient aspects of self-disclosure experiences. Credibility was achieved through bracketing, investigator triangulation, and member checking.

Results:

Four superordinate themes reflecting experiences shared by all 12 participants were generated. Each superordinate theme contained two to three corresponding subthemes. The superordinate themes included cognitive relief, self-empowerment, social connection, and personalization. These findings reflect the positive impact of informative self-disclosure use on communication and quality of life.

Conclusions:

Adults who stutter perceive informative self-disclosure to be an effective strategy that provides various benefits to the speaker, in addition to facilitating positive listener perceptions. Clinicians should encourage clients to self-disclose in an informative and personalized manner, provide opportunities for practice, and support clients in determining when and where it is most beneficial for them to implement this strategy.
Syntactic Complexity Across Language Sampling Contexts in School-Age Children, Ages 8–11 Years
Authors: Lenhart Michelle H. , Timler Geralyn R. , Pavelko Stacey L. , Bronaugh Dannette A. , Dudding Carol C.
Published: August 2022

Purpose:

Syntax has been called the structural foundation of language, as its development allows for more efficient and effective communication. Complex syntax production is known to lag in children and adolescents with language impairment. Conversation, narrative, and expository language sampling contexts are recommended tools for the comprehensive assessment of school-age children, including syntactic abilities. Despite these recommendations, few studies have examined syntactic differences obtained from these three sampling contexts in a within group sample of school-age children, (i.e., ages 8–11 years). Information about similarities and differences in syntactic measures obtained from these three sampling contexts is needed to identify the optimal sampling context(s) for eliciting complex syntax.

Method:

Conversational, narrative, and expository language samples were elicited from 85 children with typically developing language ages 8;0–11;11 (years;months). Samples were transcribed and analyzed for the mean length of utterance in words and clausal density, or the number of clauses per communication unit as measured by the subordination index.

Results:

Syntactic measures differed significantly across the three sampling contexts. Namely, narrative and expository language samples elicited longer utterances and more syntactically complex language than conversation samples. Age-related differences in the syntactic measures were not detected.

Conclusions:

Differences in syntactic measures between conversation and narrative samples and conversation and expository samples within children ages 8–11 years support use of narrative and expository contexts as the most appropriate language sampling contexts for elicitation of complex syntax in school-age children ages 8–11 years. Conversation sampling is unlikely to elicit children's capacities for complex sentence production.
Transmission network congestion control by DESS through interval computation and capacity optimization via hybrid DE‐PSO technique
Authors: Asija Divya , Viral Rajkumar , Choudekar Pallavi , Bakhsh Farhad Ilahi , Ahmad Akbar
Published: August 2022

Transmission congestion is one of major drawbacks of deregulated power system. Congestion gradually violates the physical, operational and policy constraints of the present electricity market. Congestion management in huge power system remains a challenging and tough task, which can be achieved by introducing one or more Distributed Energy Resources (DERs) such as Distributed Generation (DG), electric vehicles, modern micro grid, Energy Storage Systems (ESSs) etc. over congested lines. Consequently, this work proposes the hourly congestion management by optimal allocation of DG in ‘24 hours’ time frame. Further, Transmission Congestion Rent is used to determine the optimal and sub optimal locations for DG, whereas Differential Evolution and Particle Swarm Optimization based hybrid optimization technique is exploited to identify optimal DG size. In this work, solar based DG along with battery based ESS is considered to act as Distributed Energy Storage System ‘DESS. Subsequently, Interval computation method is introduced in this work to consider the intermittency of solar DG. Battery Energy Storage System ‘BESS’ is integrated with DGs due to its excess energy storage capability during off‐load period and make it available at peak load conditions, thereby enhancing the overall efficiency of the network. The ‘24 hours’ solar irradiance and temperature data of Delhi, India is taken into account to mathematically model the power generated from Solar DG. The proposed methodology is tested on IEEE 30‐bus system and ‘24 hours’ demand data is generated from the original IEEE load data. From the obtained results, it has been established that the hybrid optimization technique results into a better solution as compared to their individual enforcement in managing available generation resources and congestion problem.
A tri‐level approach for coordinated transmission and distribution system expansion planning considering deployment of energy hubs
Authors: Allahvirdizadeh Yousef , Shayanfar Heidarali , Moghaddam Mohsen Parsa
Published: August 2022

This paper presents a tri‐level stochastic coordinated transmission and distribution system expansion (CTDS) planning considering the deployment of energy hubs (EHs) across the distribution systems (DSs). The first level of the proposed optimization approach deals with transmission system expansion planning (TEP), while the second level develops distribution system expansion planning (DEP). Market clearing is done in the third level to update the locational marginal prices (LMPs) for different distribution system operators (DSOs). The EHs include photovoltaic cells (PVs), wind turbines (WTs), combined heating and power units (CHPs), boilers, and electrical and absorption chillers. The proposed tri‐level approach is solved with an iterative algorithm based on the diagonalization approach and tested on the modified IEEE 30‐bus transmission systems (TS) with several DSOs. Each DSO includes 18‐bus electrical, heating, and cooling energy systems. The numerical analysis shows that the total cost of the transmission system operator (TSO) is not changed with implementing the uncoordinated approach. However, the total cost of the whole system is reduced by 6.54% with accommodation of the EHs in the uncoordinated approach. Moreover, the total cost of the TSO as well as the whole system are reduced by 41.11% and 16.96%, respectively, with the proposed (CTDS) planning.
Using optical flow algorithm based on dynamic illumination mode to examine defects on highly reflective turbine blade surface
Authors: Shang Xuan , Song Wenyan , Chen Zhen , Zhang Congxuan
Published: August 2022

Notion of optical flow literally refers to the displacements of intensity patterns. In that sense, extracting interested information from 2D scene is analogy to modulation/demodulation in random signal processing. To address the limitations presented in computer vision based on static image, we propose a novel metal component defect detection method, specified as the instance of turbine blade surface detection, using optical flow estimation.To start the specified pattern recognition in 2D presentation, we modulate the brightness constancy assumption equation as illumination varying model, by sampling the second image with function whose frequency was chosen according to the Nyquist sampling theorem, and a sinusoidal factor was introduced as an additive factor. This tunable channel based on 2D image transfers intensity features into optical modes. Then, we implement optical flow estimation on two sequential images. Experimental results reveal grayscale space shows completness in representing the optical modes of turbine blade with various kinds of surface characteristics. By modifying the index of information content, we propose quantitative index to evaluate the performance of our method. Evaluation reveals optical flow algorithm is qualified to examine defects on highly reflective turbine blade, and our method extends the application of optical flow.
A multi‐attention dynamic graph convolution network with cost‐sensitive learning approach to road‐level and minute‐level traffic accident prediction
Authors: Wu Mingyao , Jia Hongwei , Luo Dan , Luo Haiyong , Zhao Fang , Li Ge
Published: August 2022

Traffic accident prediction on road levels and minute levels plays an important role in optimizing public safety and improving traffic infrastructure. However, there are still some challenges in this work. Firstly, the dynamic factors (e.g. traffic flow) affecting traffic accidents make the road network have dynamic spatio‐temporal dependency, which leads to biased prediction results. Secondly, the occurrence of traffic accidents is a small probability event, which brings about zero‐inflation problem. To address aforementioned problems, the authors propose a Multi‐Attention Dynamic Graph Convolution Network with Cost Sensitive Learning approach (MADGCN). Specifically, in the spatial dimension, MADGCN calculates the attention scores of different types of dynamic factors through attention mechanism to simulate the different influence degrees of different factors, and models dynamic inter‐road spatial correlation through Graph Convolution Network (GCN). In the temporal aspect, MADGCN adaptively models the dynamic temporal correlations through self‐attention blocks. In addition, MADGCN improves the loss function based on cost‐sensitive learning strategy to increase the cost of false classification of positive samples, so as to accurately mine sparse positive samples. Experimental results on two real‐world traffic accident datasets demonstrate the superiority of MADGCN. Compared with the existing state‐of‐the‐art methods, F1‐score of MADGCN on two real‐world traffic accident datasets is improved by 11.61% and 9.15%, respectively.
Modelling and output voltage distortion with capacitive current feedback control for single phase inverter powering non‐linear load
Authors: Zhong Minghang , Tong Xiangqian
Published: August 2022

The pulse width modulation inverter is widely applied in independent PV renewable generation applications and uninterruptible power supplies. Many control schemes are investigated for the inverter feeding non‐linear loads, aiming to achieve the desired performance. However, the model currently proposed is mostly based on a linear load, which is not suitable for the condition with the non‐linear load. In this paper, the uncontrolled diode rectifier load model based on the AC and DC link power balances is analysed in detail first. Then, the rectifier inverter control system mathematical model is presented. The mathematical model derivation considers the rectifier load, especially non‐linear dead zone circuit performance that is closer to practical application conditions. Based on the proposed model, the output voltage control strategy with capacitor current feedback is further given. The operating principle of the proposed model and control scheme is analysed in detail. Additionally, the conclusions are validated by simulations and experimental results.
CHAC1 as a novel biomarker for distinguishing alopecia from other dermatological diseases and determining its severity
Authors: Karami Hassan , Nomiri Samira , Ghasemigol Mohammad , Mehrvarzian Niloufar , Derakhshani Afshin , Fereidouni Mohammad , Mirimoghaddam Masoud , Safarpour Hossein
Published: August 2022

Alopecia Areata (AA) is characterised by an autoimmune response to hair follicles (HFs) and its exact pathobiology remains unclear. The current study aims to look into the molecular changes in the skin of AA patients as well as the potential underlying molecular mechanisms of AA in order to identify potential candidates for early detection and treatment of AA. We applied Weighted Gene Co‐expression Network Analysis (WGCNA) to identify key modules, hub genes, and mRNA–miRNA regulatory networks associated with AA. Furthermore, Chi2 as a machine‐learning algorithm was used to compute the gene importance in AA. Finally, drug‐target construction revealed the potential of repositioning drugs for the treatment of AA. Our analysis using four AA data sets established a network strongly correlated to AA pathogenicity based on GZMA, OXCT2, HOXC13, KRT40, COMP, CHAC1, and KRT83 hub genes. Interestingly, machine learning introduced these genes as important in AA pathogenicity. Besides that, using another ten data sets, we showed that CHAC1 could clearly distinguish AA from similar clinical phenotypes, such as scarring alopecia due to psoriasis. Also, two FDA‐approved drug candidates and 30 experimentally validated miRNAs were identified that affected the co‐expression network. Using transcriptome analysis, suggested CHAC1 as a potential diagnostic predictor to diagnose AA.
First absolute wind measurements in Saturn’s stratosphere from ALMA observations
Authors: Benmahi B. , Cavalié T. , Fouchet T. , Moreno R. , Lellouch E. , Bardet D. , Guerlet S. , Hue V. , Spiga A.
Published: August 2022

Context. Past observations of Saturn with ground-based and space telescopes have enabled the monitoring of tropospheric wind speeds using cloud-tracking techniques. The most remarkable feature is a broad and fast prograde jet at the equator that reaches speeds of ~400 m s−1. Saturn’s stratospheric dynamics are less well-known. At low latitudes, they are characterized by the thermal signature of an equatorial oscillation; the observed thermal structure implies that there is a strong oscillating vertical shear of the zonal winds throughout the stratosphere. However, wind speeds in this region cannot be measured by cloud-tracking techniques and remain unknown.

Aims. The objective of this study is to measure directly and for the first time the zonal winds in Saturn’s stratosphere using the ALMA interferometer.

Methods. We observed the spectral lines of CO at 345.796 GHz and HCN at 354.505 GHz with the high spatial (~0.6″ × 0.5″) and spectral resolutions enabled by ALMA, and measured the Doppler shift induced by the winds on the lines at the planet limb where the emission is the strongest. After subtracting the beam-convolved planet rotation, we derived the zonal wind speeds as a function of latitude.

Results. We measured the zonal winds from ~20°S to the northern polar latitudes. Latitudes between 20°S and 45°S were obscured by the rings and were inaccessible southward of 45°S. The zonal wind profiles obtained on the eastern and western limbs are consistent within the error bars and probe from the 0.01 to the 20 mbar level. We most noticeably detect a broad super-rotating prograde jet that spreads from 20°S to 25°N with an average speed of 290 ± 30 m s−1. This jet is asymmetrical with respect to the equator, a possible seasonal effect. We tentatively detect the signature of the Saturn semi-annual oscillation (SSAO) at the equator, in the form of a ~−50 ± 30 m s−1 peak at the equator which lies on top of the super-rotating jet. We also detect a broad retrograde wind (−45 ± 20 m s−1) of about 50 m s−1 in the mid-northern latitudes. Finally, in the northern polar latitudes, we observe a possible auroral effect in the form of a ~200 m s−1 jet localized on the average position of the northern main auroral oval and in couter-rotation, like the Jovian auroral jets.

Conclusions. Repeated observations are now required to monitor the temporal evolution of the winds and quantify the variability of the SSAO jet, to test the seasonality of the asymmetry observed in the broad super-rotating jet, and to verify the presence of auroral jets in the southern polar region of Saturn.
Arthroscopic rotator interval release for frozen shoulder, comparative study between diabetic and non-diabetic patients
Authors: Tawfeek Wessam , Addosooki Ahmad , Elsayed Moustafa
Published: August 2022

Introduction: The objective of this study is to evaluate the outcomes of arthroscopic rotator interval release for the treatment of frozen shoulder and compare the results in patients with and without diabetes. Methods: thirty-two patients with frozen shoulders were divided into two groups; 19 diabetics and 13 non-diabetics. All patients underwent arthroscopic rotator interval release. The VAS and UCLA score were assessed pre-operatively and post-operatively; after 1, 3, and 12 months and compared between groups. Results: The VAS and UCLA score was significantly improved in both groups during follow-up intervals (p < 0.01). There was no significant difference between diabetic and non-diabetic patients in VAS and UCLA scores during follow-up times (p-values > 0.05). Conclusion: Arthroscopic rotator interval release provides significant improvement of frozen shoulder with no difference in results between diabetic and non-diabetic patients.

Level of evidence: Level 2; Prospective Comparative study.
Brønsted Acid Catalyzed Carbocyclizations Involving Electrophilic Activation of Alkynes
Authors: Toullec Patrick Y. , Hermange Philippe , Gicquiaud Julien , Barbier Morgan , Karnat Alexandre
Published: August 2022

This review focuses on the carbocyclization reactions of alkyne-containing substrates catalyzed by Brønsted acids. The electrophilic activation occurs either by direct protonation of the alkyne or by formation of an intermediate cation that further reacts with the alkyne to give a key vinyl cation intermediate. Specific focus is placed on the selectivity of the various methodologies described herein and on mechanistic rationales.

1 Introduction

2 Brønsted Acid Catalyzed Alkyne Carbocyclization Involving C(sp) Reaction Partners

2.1 Brønsted Acid Catalyzed Cyclization of Diynes

2.2 Brønsted Acid Catalyzed Cyclization of Allenynes

3 Brønsted Acid Catalyzed Alkyne Carbocyclization Involving C(sp2) Reaction Partners

3.1 Brønsted Acid Catalyzed Cycloisomerization of Enynes

3.1.1 Initial Protonation of the Alkene Function

3.1.2 Initial Protonation of the Alkyne Function

3.1.3 A Conia-Ene Reaction

3.2 Electrophile-Induced Carbocyclization Involving Other C(sp2)-Based Reaction Partners

3.2.1 Iminium Electrophiles

3.2.2 Oxonium Electrophiles

3.2.3 Isocyanate and Thioisocyanate Electrophiles

3.3 Brønsted Acid Catalyzed Cycloisomerization of Aryl-alkynes

3.3.1 Reactions Using Excess or Stoichiometric Amounts of Brønsted Acid

3.3.2 Reactions Using Substoichiometric Amounts of Brønsted Acid

3.3.3 Heteroatom-Substituted Alkynes

3.3.4 Enantioselective Brønsted Acid Catalyzed Cycloisomerization of Aryl-alkynes

4 Brønsted Acid Catalyzed Alkyne Carbocyclization Involving C(sp3) Reaction Partners: Alkyne-alkane Cycloisomerization

5 Conclusion and Outlook
Construction and Characterization of a Diphase Two-Dimensional Halogen-Bonded Organic Framework Based on a Pyrene Derivative
Authors: Chen Shigui , Gong Guanfei , Xie Fei , Wang Lu , Wang Jike
Published: August 2022

Crystalline porous materials have received extensive attention due to their fascinating structures and wide range of applications. We report a novel diphase two-dimensional (2D) halogen-bonded organic framework (XOF-TPP) based on 1,3,6,8-tetra(pyridin-4-yl)pyrene (TPP). XOF-TPP was constructed through [N···I+···N] interactions between the pyridyl groups of TPP and iodonium cations. The formation of XOF-TPP was monitored by X-ray photoelectron spectroscopy, IR spectroscopy, powder X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy, and simulated theoretically. Small-angle X-ray scattering indicated that the XOF-TPP exists as a 2D periodic structure. This diphase 2D halogen-bonded organic framework has promise for practical applications in supramolecular functional materials.
Unwrapping a full temporal cycle in time domain thermoreflectance for enhanced measurement sensitivity in thermally insulating materials
Authors: Donovan Brian F. , Gray Taylor L. , Wilson Adam A. , Warzoha Ronald J.
Published: August 2022

Time delayed pump–probe measurement techniques, such as Time Domain Thermoreflectance (TDTR), have opened up a wealth of opportunities for metrology at ultra-fast timescales and nanometer length scales. For nanoscale thermal transport measurements, typical thermal lifetimes used to measure thermal conductivity and thermal boundary conductance span from sub-picosecond to ∼6 nanoseconds. In this work, we demonstrate a simple rearrangement and validation of a configuration that allows access to the entire 12.5 ns time delay available in the standard pulse train. By reconfiguring a traditional TDTR system so that the pump and probe arrive concurrently when the delay stage reaches its midpoint, followed by unwrapping the temporal scan, we obtain a dataset that is bounded only by the oscillator repetition rate. Sensitivity analysis along with conducted measurements shows that great increases in measurement sensitivity are available with this approach, particularly for thin films with low thermal conductivities.
Electrical and optical properties of InSe with various interfaces
Authors: Zhou Lili , Lv Yanhui , Zhao Yue , Wu Gang , Xiao Peiyao , Cho Jiung , Choi Miri , Ó Coileáin Cormac , Chang Ching-Ray , Wu Han-Chun
Published: August 2022

In this work, we investigated how the electrical and photoelectrical properties of InSe based devices depend on the interfaces made with standard materials such as SiO2, BN, and PMMA. The use of a BN layer is found to not only change the carrier type but also weaken the out-of-plane vibration of InSe. Field-effect transistor devices show a p-type behavior for InSe on SiO2, while for InSe on BN, the majority carriers are electrons. Moreover, due to the weakened electron–phonon interaction the electron mobility of InSe on BN is more than two magnitudes greater than its hole mobility on SiO2. A p–n junction diode is also demonstrated with InSe/SiO2 and InSe/BN with a rectification ratio as high as 102 and a photoresponsivity of 52 A/W, which can be enhanced to 103 and 1.6 × 104 A/W with a PMMA coverlayer. Our results may be useful for the design of high-performance van der Waals heterojunction photodetectors.
Plasma-based GHz tunable bandstop filter
Authors: Wei Guoqiang , Nie Qiuyue , Zhang Zhonglin , Chen Peiqi , Yan Changshi
Published: August 2022

Tunability is an important feature for the filter. As a special electromagnetic medium, the plasma has its permittivity being altered in a wideband range. In this work, based on the surface plasmon polaritons of plasma–dielectric–plasma waveguides, we propose a double-stubs structure submerged in a gaseous discharge plasma medium to realize tunable filtering properties in the giga-hertz (GHz) regime. The finite element method is applied to numerically compute filtering properties. The coupled mode theory and orthogonal design method are introduced to verify simulation results and estimate the effect of simulation parameters on the filtering properties. It is shown that the height of two stubs has the most important influence on filtering performance. Although once the filter is fabricated, its size cannot be modified, one can, nevertheless, vary the plasma frequency to effectively adjust the plasma frequency for the best filtering. Thus, such a plasma-modified filter provides a feasible scheme to dynamically adjust the filtering frequency.
Measuring sub-surface spatially varying thermal conductivity of silicon implanted with krypton
Authors: Pfeifer Thomas W. , Tomko John A. , Hoglund Eric , Scott Ethan A. , Hattar Khalid , Huynh Kenny , Liao Michael , Goorsky Mark , Hopkins Patrick E.
Published: August 2022

The thermal properties of semiconductors following exposure to ion irradiation are of great interest for the cooling of electronic devices; however, gradients in composition and structure due to irradiation often make the measurement difficult. Furthermore, the nature of spatial variations in thermal resistances due to spatially varying ion irradiation damage is not well understood. In this work, we develop an advancement in the analysis of time-domain thermoreflectance to account for spatially varying thermal conductivity in a material resulting from a spatial distribution of defects. We then use this method to measure the near-surface (≲1 μm) thermal conductivity of silicon wafers irradiated with Kr+ ions, which has an approximate Gaussian distribution centered 260 nm into the sample. Our numerical analysis presented here allows for the spatial gradient of thermal conductivity to be extracted via what is fundamentally a volumetric measurement technique. We validate our findings via transmission electron microscopy, which is able to confirm the spatial variation of the sub-surface silicon structure, and provide additional insight into the local structure resulting from the effects of ion bombardment. Thermal measurements found the ion stopping region to have a nearly 50× reduction in thermal conductivity as compared to pristine silicon, while TEM showed the region was not fully amorphized. Our results suggest this drastic reduction in silicon thermal conductivity is primarily driven by structural defects in crystalline regions along with boundary scattering between amorphous and crystalline regions, with a negligible contribution being due to implanted krypton ions themselves.
Investigating laser ablated plume dynamics of carbon and aluminum targets
Authors: Finko Mikhail , Crowhurst Jonathan C. , Keller Wesley J. , Rousso Aric C. , Ly Sonny S. , Weisz David G. , Curreli Davide , Radousky Harry B. , Knight Kim B.
Published: August 2022

Recently acquired high-resolution images of nanosecond laser ablation plumes suggest a strong correlation between the internal plume structure and the type of material being ablated. However, the details of this relation are currently not well understood. In this work, we attempt to explore this correlation using a 2D radiation hydrodynamics model to study the dependence of internal plume structure formation on the ablation material. Spatio-temporal emission maps and plume expansion velocities from experimental measurements are compared with the model predictions, including synthetic emission maps. The shape and expansion rate of an outer air plume region are found to be in good agreement for both carbon and aluminum, as are the inner material plume dynamics for carbon ablation. The largest disagreement is observed in the case of a polished aluminum target, where the chaotic inner plume features seen in the experimental images are not observed in the model. The possible physical mechanisms responsible for this discrepancy are discussed. This effort constitutes a continued development toward a predictive model of ablation plume dynamics and chemistry for various materials in extreme environments.
Dynamics of binary solution droplets of an ionic liquid and water impinging on a heated porous surface
Authors: Zhang Fangfang , Tang Jingdan , Chen Geng , Chen Gang
Published: August 2022

The dynamics of a binary solution droplet of ionic liquid and water on heated brass porous surfaces were studied. A comparison was made between the droplet dynamics on the porous and impermeable surfaces. An increasing spreading diameter for the binary solution droplets on the impermeable surfaces was observed, while this was not found on the porous surfaces. The time required for the droplet to penetrate the porous surfaces was significantly shorter than that for the droplet to evaporate completely from the impermeable surfaces. During the process of droplet infiltration into the porous medium, the droplet evaporation could be neglected. A higher Weber number and a higher surface temperature resulted in a higher liquid penetration rate. A linear and polynomial change in the residual volume for the binary solution and water droplet, respectively, on the porous surfaces over time was observed.
Optimization of the Ewald method for calculating Coulomb interactions in molecular simulations
Authors: Hammonds K. D. , Heyes D. M.
Published: August 2022

Practical implementations of the Ewald method used to compute Coulomb interactions in molecular dynamics simulations are hampered by the requirement to truncate its reciprocal space series. It is shown that this can be mitigated by representing the contributions from the neglected reciprocal lattice vector terms as a simple modification of the real space expression in which the real and reciprocal space series have slightly different charge spreading parameters. This procedure, called the α′ method, enables significantly fewer reciprocal lattice vectors to be taken than is currently typical for Ewald, with negligible additional computational cost, which is validated on model systems representing different classes of charged system, a CsI crystal and melt, water, and a room temperature ionic liquid. A procedure for computing accurate energies and forces based on a periodic sampling of an additional number of reciprocal lattice vectors is also proposed and validated by the simulations. The convergence characteristics of expressions for the pressure based on the forces and the potential energy are compared, which is a useful assessment of the accuracy of the simulations in reproducing the Coulomb interaction. The techniques developed in this work can reduce significantly the total computer simulation times for medium sized charged systems, by factors of up to ∼5 for those in the classes studied here.
Quantum firefly algorithm with stochastic search strategies
Authors: Dong Yumin , Zhao Shiqi , Hu Wanbin
Published: August 2022

The firefly algorithm (FA) is a popular swarm intelligence optimization algorithm. The FA is used to solve various optimization problems, but it still has some deficiencies, such as high complexity, slow convergence rate, and low accuracy of the solution. This paper proposes a highly efficient quantum firefly algorithm with stochastic search strategies (QSSFA). In QSSFA, individuals are generated in the way of quantum angle coding by introducing the laws of quantum physics and quantum gates, and combined with the random neighborhood attraction model, an adaptive step size strategy is also introduced in the optimization. The complexity of the algorithm is greatly reduced, and the global search ability of the algorithm is optimized. The convergence speed of the algorithm, the ability to jump out of the local optimum, and the algorithm accuracy are improved. The proposed QSSFA’s performance is tested on ten mathematical test functions. The obtained results show that the QSSFA algorithm is very competitive compared to the firefly algorithm and three other FA variants.
Macromolecular complex viscosity from space-filling equilibrium structure
Authors: Chakraborty R. , Singhal D. , Kanso M. A. , Giacomin A. J.
Published: August 2022

Macromolecular theory for the rheology of polymer liquids usually proceeds from a scale much larger than chemical bonding. For instance, a bead in a general rigid bead-rod theory can represent a length of the polymer. This is why we sculpt the shape of the macromolecule with a rigid bead-rod model. From the macromolecular hydrodynamics that follow, we then discover that the rheology of polymeric liquids depends on the macromolecular moments of inertia. In this paper, we use this discovery to arrive at a way of proceeding directly from the chemical bonding diagram to dimensionless complex viscosity curves. From the equilibrium conformation of the macromolecule, its atomic masses and positions, we first arrive at the macromolecular principal moments of inertia. From these, we then get the shapes of the complex viscosity curves from first principles thusly. We call this the macromolecular moment method. The zero-shear viscosity and relaxation time must still be fit to measurement. Using space-filling equilibrium structures, we explore the roles of (i) end group type, (ii) degree of polymerization, and (iii) pendant group type. We compare our results with complex viscosity measurements of molten atactic polystyrene.
Stable organic radicals and their untapped potential in ionic liquids
Authors: Ellingsen Theo A. , Hoffmann Natasha , Olivier Wesley J. , Thickett Stuart C. , Silvester Debbie S. , Fuller Rebecca O.
Published: August 2022

Stable organic radicals have an open shell structure that makes them suitable for use in a diverse set of applications. Specifically, it is the reversible one-electron redox behaviour that makes these species suitable for energy storage and in molecular electronics. Maintaining chemical stability, low redox potential and charge transfer capabilities, are key to the further development of these materials. To date, researchers have largely focused on the the preparation of new molecules with improved redox capabilities for use in traditional solvents. More recently exploration into the use of ionic liquids to stabilise charged species and reduce side reactions has shown promise. Computational and preliminary experimental studies have explored the impact of ionic liquids on radical stabilisation, and notable improvements have been observed for nitroxide-based materials when traditional solvents are replaced by ionic liquids. However, these gains require significant refinement based on the identity of the radical species and the ionic liquid. In this highlight, we focus on the current state of using ionic liquids as solvents to stabilise organic radicals and suggestions on the future direction of the field.
Primary care and the older person with complex needs: reflections on the implementation of a primary–secondary model of integrated care
Authors: Mann Jennifer , Devine Sue , Strivens Edward
Published: August 2022

The demand and complexity of the health needs of older people is growing. Traditionally siloed, condition-centric care is no longer appropriate. It is costly to the Australian health system and life-threatening to the individual. In parallel to demographic change is increasing global awareness of the impact of social, behavioural, and environmental factors on health outcomes. Although significant when not addressed, the amenable nature of many personal contextual factors is an opportunity to improve health and quality of life. A move away from reactive, episodic models of health care delivery towards patient focussed integrated care is required to meet the changing demands of an aging population. This forum article provides a reflection on the current state of integration for older people with complex needs through the lens of a local community facing model: OPEN ARCH. Australia still has some way to go to establishing system level enablers for an integrated approach to care. However, the OPEN ARCH experience furthers the evidence for ground-up approaches of integrated care that can meet the increasing demand and complexity of older people’s needs.
Unveiling the mechanism for selective cleavage of C-C bonds in sugar reactions on tungsten trioxide–based catalysts
Authors: Liu Yue , Zhang Wei , Hao Cong , Wang Shuai , Liu Haichao
Published: August 2022

Conversion of naturally occurring sugars, the most abundant biomass resources on Earth, to fuels and chemicals provides a sustainable and carbon-neutral alternative to the current fossil resource–based processes. Tungsten-based catalysts (e.g., WO
3
) are efficient for selectively cleaving C-C bonds of sugars to C
2,3
oxygenate intermediates (e.g., glycolaldehyde) that can serve as platform molecules with high viability and versatility in the synthesis of various chemicals. Such C-C bond cleavage follows a mechanism distinct from the classical retro-aldol condensation. Kinetic, isotope
13
C-labeling, and spectroscopic studies and theoretical calculations, reveal that the reaction proceeds via a surface tridentate complex as the critical intermediate on WO
3
, formed by chelating both α- and β-hydroxyls of sugars, together with the carbonyl group, with two adjacent tungsten atoms (W-O-W) contributing to the β-C-C bond cleavage. This mechanism provides insights into sugar chemistry and enables the rational design of catalytic sites and reaction pathways toward the efficient utilization of sugar-based feedstocks.
Reconstructing non-contrastive stress in Austronesian and the role of the mora in stress shift, gemination and vowel shift
Authors: Smith Alexander D.
Published: August 2022

Competing schools of thought on the reconstruction of Proto-Austronesian stress contend that primary stress was either regular (falling on the penultimate syllable with possible phonetic conditions that triggered stress shift to the final syllable) or lexical (falling unpredictably either on the penult or ultima). In this study, I argue that the comparative evidence supports the first position: that primary stress fell regularly on the penultimate syllable and was not lexical. Further, primary stress was repelled to the final syllable if the penultimate syllable was open and contained a schwa nucleus. Three Austronesian first-order subgroups, Malayo-Polynesian, Western Formosan, and Paiwan, are shown to directly continue the reconstructed stress system of Proto-Austronesian, with stress falling regularly on the penultimate syllable but shifting to the final syllable after a schwa.

I also argue that the inability of schwa to hold stress is a result not of quality, but rather of quantity, as it is shown that schwa was a zero-weight vowel in Proto-Austronesian. Words with a schwa in the penultimate syllable, CəCVC, are shown to be sub-minimal, containing only a single mora. Daughter languages in Malayo-Polynesian underwent multiple cases of phonologically motivated drift, including consonant gemination, the deletion of penultimate schwa in three-syllable words, and vowel shift. These sound changes are argued to be part of a phonological conspiracy whose outcome is the addition of a mora to sub-minimal words. This study therefore offers both a reconstruction of Proto-Austronesian stress as well as a phonological explanation for these various sound changes in Malayo-Polynesian.
Dorothy Schafer: Sculpting the next generation of microglia researchers
Authors: Morgado-Palacin Lucia
Published: August 2022

Dorothy Schafer investigates the role of microglia in neural circuit development and plasticity with a special focus on neurological disorders.
Reconstruction of small and extended regions in EIT with a Robin transmission condition
Authors: Granados Govanni , Harris Isaac
Published: August 2022

We consider an inverse shape problem coming from electrical impedance tomography with a Robin transmission condition. In general, a boundary condition of Robin type models corrosion. In this paper, we study two methods for recovering an interior corroded region from electrostatic data. We consider the case where we have small volume and extended regions. For the case where the region has small volume, we will derive an asymptotic expansion of the current gap operator and prove that a MUSIC-type algorithm can be used to recover the region. In the case where one has an extended region, we will show that the regularized factorization method can be used to recover said region. Numerical examples will be presented for both cases in two dimensions in the unit circle.
Detuning modulated composite segments for robust optical frequency conversion
Authors: Reches Yuval , Elias Elazar , Suchowski Haim
Published: August 2022

The creation of efficient broadband frequency conversion devices while maintaining robustness to manufacturing and setup errors is crucial for accurate multiphoton spectroscopy, broadband imaging and the design of robust optical sources. Traditionally, nonlinear optical conversion processes are either efficient but narrowband or broadband but with low photon conversion yield. Several methods have been introduced in recent years to obtain both with great success, among them we can find adiabatic frequency conversion and Shaka–Pines composite segmented design. Here, we expand the composite design and introduce the detuning modulated composite segmented (DMCS) scheme in nonlinear optics, which offers a broadband, efficient and robust method for frequency conversion. We also present the constant-length DMCS scheme, which offers multiple efficient and robust wavelength regimes for broadband upconversion. We apply these schemes to a system of quasi-phase-matching crystal for the sum frequency generation process, and demonstrate the high robustness and bandwidth of the composite schemes. We show that these schemes are robust to temperature and crystal length variations and can have a superior conversion bandwidth under length and power constraints compared to other conversion schemes, such as periodically poled and adiabatic chirped crystals. We believe that the new family of DMCS schemes will have many uses in applications of frequency conversion, due to their robustness, low energy demand and compact size.
Advances in theoretical calculations of MXenes as hydrogen and oxygen evolution reaction (water splitting) electrocatalysts
Authors: Hou Pengfei , Tian Yumiao , Jin Di , Liu Xiaochun , Xie Yu , Du Fei , Meng Xing
Published: August 2022

Two-dimensional transition metal carbides/nitrides/carbon nitrides (MXenes) have great potential to be excellent H and O evolution reaction (HER and OER) electrocatalysts due to their special properties, such as large specific surface area, good electrical conductivity, and abundant active sites. Researchers have carried out many types of investigations on MXenes as HER and OER electrocatalysts. So far, great progress has been made in screening MXenes as HER and OER electrocatalysts, in which the theoretical calculation method plays an important role. In the present study, we briefly summarize the progress regarding theoretical calculations of MXenes as HER and OER electrocatalysts. First, we introduce the standard computational methods and basic mechanisms of HER and OER. We then present some recent studies of theoretical calculations and experiments combined with theoretical calculations. Finally, some specific perspectives are provided for the future development of MXenes as excellent HER and OER electrocatalysts. We believe theoretical computational studies of MXenes as HER and OER electrocatalysts may flourish by considering the natural reaction environment and electrochemical kinetic processes, the proposal of more activity descriptors, close integration of theory and experiments, and the development of advanced calculation methods.
Unified description of α decay and cluster radioactivity using the neural network approach and universal decay law
Authors: Zhao TianLiang , Zhang HongFei
Published: August 2022

The α decay and cluster radioactivity half-life of nuclei are calculated uniformly. The universal decay law (UDL) (Qi et al 2009 Phys. Rev. Lett.
103 072501) is refitted to include minimum angular momentum effect and unpaired nucleon effect. The UDL formula and neural network approach to describe α decay and cluster radioactivity half-life calculations were improved. We used the UDL formulas and neural network approach to predict the cluster radioactivity half-life of actinide nuclei and α decay half-life of superheavy nuclei Z = 117–120. We hope to contribute to the discovery of new atomic nucleus cluster radioactivity phenomena and theoretical studies of α decay of superheavy nuclei.
Nuclear transverse momentum broadening in the color dipole approach at the LHC regime
Authors: Ben F G , Giannini A V , Machado M V T
Published: August 2022

Transverse momentum broadening of a parton propagating through a large nucleus is evaluated in the color dipole approach using different models for the dipole cross section or unintegrated gluon distribution, which lead to different values of the coefficient

C

F

(

0
,
s

)

. Numerical calculations are compared to data extracted from LHCb, ALICE and PHENIX experiments for the nuclear broadening of J/ψ mesons. We find that different models which describe the small-x data predict values of nuclear broadening of transverse momentum that agree reasonably well with experiment. The centrality dependence was also analysed and the models are consistent with the ALICE measurements. Available experimental results, however, are not able to clearly distinguish the performance of the considered models.
Far-field thermal radiation properties of graphene under uniaxial strain
Authors: Xie Wen-Wu , Qian Wen-Ri , Zhang Yong-Mei
Published: August 2022

Electronic band structure and optical conductivity of single-layer graphene could be altered by applied uniaxial strain. Valley and space inversion symmetries are broken. Dirac cones are deformed. We investigate the effect of uniaxial strain on the radiative properties of graphene from the perspective of direction and modulus. Optical conductivity exhibits wealthy phenomenon due to the degeneracy of the energy band broken by strain. The total energy radiation exhibits a novel behavior of periodicity in

θ

, in accordance with the symmetry of the hexagonal honeycomb lattice.
Dermoscopy lesion classification based on GANs and a fuzzy rank-based ensemble of CNN models
Authors: Li Haiyan , Li Wenqing , Chang Jun , Zhou Liping , Luo Jin , Guo Yifan
Published: August 2022

Background and Objective. Skin lesion classification by using deep learning technologies is still a considerable challenge due to high similarity among classes and large intraclass differences, serious class imbalance in data, and poor classification accuracy with low robustness. Approach. To address these issues, a two-stage framework for dermoscopy lesion classification using adversarial training and a fuzzy rank-based ensemble of multilayer feature fusion convolutional neural network (CNN) models is proposed. In the first stage, dermoscopy dataset augmentation based on generative adversarial networks is proposed to obtain realistic dermoscopy lesion images, enabling significant improvement for balancing the number of lesions in each class. In the second stage, a fuzzy rank-based ensemble of multilayer feature fusion CNN models is proposed to classify skin lesions. In addition, an efficient channel integrating spatial attention module, in which a novel dilated pyramid pooling structure is designed to extract multiscale features from an enlarged receptive field and filter meaningful information of the initial features. Combining the cross-entropy loss function with the focal loss function, a novel united loss function is designed to reduce the intraclass sample distance and to focus on difficult and error-prone samples to improve the recognition accuracy of the proposed model. Main results. In this paper, the common dataset (HAM10000) is selected to conduct simulation experiments to evaluate and verify the effectiveness of the proposed method. The subjective and objective experimental results demonstrate that the proposed method is superior over the state-of-the-art methods for skin lesion classification due to its higher accuracy, specificity and robustness. Significance. The proposed method effectively improves the classification performance of the model for skin diseases, which will help doctors make accurate and efficient diagnoses, reduce the incidence rate and improve the survival rates of patients.