bluuebunny/crossref_metadata_2025 huggingface dataset:
The modified Glasgow prognostic score is a reliable predictor of oncological outcomes in patients with rectal cancer undergoing neoadjuvant chemoradiotherapy
Authors: Shimada Atsushi , Matsuda Takeru , Sawada Ryuichiro , Hasegawa Hiroshi , Yamashita Kimihiro , Harada Hitoshi , Urakawa Naoki , Goto Hironobu , Kanaji Shingo , Oshikiri Taro , Kakeji Yoshihiro
Published: October 2023

There has been no reliable marker for predicting oncological outcomes in patients with locally advanced rectal cancer (LARC) undergoing neoadjuvant chemoradiotherapy (NACRT). We retrospectively analyzed 73 patients with LARC who underwent curative surgery after NACRT. The modified Glasgow prognostic score (mGPS) was assessed after NACRT, and clinical outcomes were compared between the high (mGPS = 1 or 2; n = 23) and low (mGPS = 0; n = 50) groups. Body mass index was significantly higher in the low mGPS group. The 5-year disease-free survival (DFS) rate was significantly worse in the high mGPS group than that in the low mGPS group (36.7% vs. 76.6%, p = 0.002). Univariate and multivariate analyses of DFS revealed that mGPS was the most significant predictor (p < 0.001). mGPS appears to be a reliable predictor of oncological outcomes in patients with LARC undergoing NACRT.
Electrochemical deoxygenative homo-couplings of aromatic aldehydes
Authors: Zhao Xiaoqian , Li Meng , Sun Kunhui , Xu Zhimin , Tian Lifang , Wang Yahui
Published: October 2023

An electrochemical deoxygenative homo-coupling of aromatic aldehydes is achieved to selectively access bibenzyl and stilbene derivatives.
Visible light-mediated C (sp3)–H bond functionalization inside an all-organic nanocavity
Authors: Roy Debojyoti , Paul Sunandita , Dasgupta Jyotishman
Published: October 2023

A new metal-free sp3 C–H bond functionalization in supramolecular confinement is reported that uses visible light to photo-generate C-centered neutral radicals which undergo controlled aerial oxidation in ambient conditions.
High-entropy oxides as photocatalysts for organic conversion
Authors: Li Mingjin , Mei Shuxing , Zheng Yong , Wang Long , Ye Liqun
Published: October 2023

High-entropy oxides exhibit good synergistic effects and have a positive promoting effect on organic oxidation conversion reactions.
Expression of concern: Sodium butyrate ameliorated diabetic nephropathy-associated tubulointerstitial inflammation by modulating tight junction of renal tubular epithelial cells
Authors: Yang Tingting , Li Lin , Heng Cai , Sha Pian , Wang Yiying , Shen Jiaming , Jiang Zhenzhou , Qian Sitong , Wei Chujing , Yang Hao , Zhu Xia , Wang Tao , Wu Mengying , Wang Jianyun , Lu Qian , Yin Xiaoxing
Published: October 2023

Expression of concern for ‘Sodium butyrate ameliorated diabetic nephropathy-associated tubulointerstitial inflammation by modulating tight junction of renal tubular epithelial cells’ by Tingting Yang et al., Food Funct., 2022, accepted manuscript, https://doi.org/10.1039/D2FO00940D.
Present and future of metal nanoparticles in tumor ablation therapy
Authors: Lou Wenjing , Xie Liting , Xu Lei , Xu Min , Xu Fan , Zhao Qiyu , Jiang Tianan
Published: October 2023

This review provides a comprehensive overview of the applications of metallic nanomaterials in various ablation domains and elucidates their underlying mechanisms. In addition, the maximization strategy of combining the two is discussed for the local application of metal nanomaterials in tumors.
Visible light induced regioselective C-3 thiocyanation of imidazoheterocycles through naphthalimide dye based photoredox catalysis
Authors: Saha Pallavi , Kumar Rohit , Das Samarpita , Ansari Toufik , Indra Arindam , Sharma Deepak K.
Published: October 2023

A visible light induced C-3 thiocyanation of imidazo[1,2-a]pyridines and various other heterocycles (benzo[d]imidazo[2,1-b]thiazoles, indoles, azaindoles, and anilines) was performed using a naphthalimide based photoredox catalyst.
One-pot furan synthesis through diethylzinc-mediated coupling reaction between two α-bromocarbonyl compounds
Authors: Hikima Ryo , Takeshima Aika , Kano Taichi
Published: October 2023

Polysubstituted furans were synthesized in one-pot through the Et2Zn-mediated coupling reaction between dibromoketones and monobromo carbonyl compounds and the subsequent β-elimination with bromoacetyl bromide.
Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis
Authors: Yan Chunhui , Fyfe Calum , Minty Laura , Barrington Henry , Jamieson Craig , Reid Marc
Published: October 2023

Solid-phase peptide synthesis can be monitored and optimized using non-contact computer vision methods.
Deformation of soap bubbles in uniform magnetic fields
Authors: Mawet S. , Caps H. , Dorbolo S. , Elias F.
Published: October 2023

A soap bubble in the shape of a hemisphere can be altered by an electric field. When subjected to a vertical and uniform magnetic field, hemispherical bubbles made of ferrofluid soap undergo deformation resulting in entirely distinct shapes.
Self-propulsion of a calcium alginate surfer
Authors: Zahorán Réka , Kumar Pawan , Horváth Dezső , Tóth Ágota
Published: October 2023

Osmosis-induced Marangoni-driven self-propulsion of hydrogel surfers develops when sodium alginate solution is dropped into the pool of calcium chloride solution.
Correction: Hybrid lanthanide nanoparticles as a new class of binary contrast agents for in vivo T1/T2 dual-weighted MRI and synergistic tumor diagnosis
Authors: Yi Zhigao , Li Xiaolong , Lu Wei , Liu Hongrong , Zeng Songjun , Hao Jianhua
Published: October 2023

Correction for ‘Hybrid lanthanide nanoparticles as a new class of binary contrast agents for in vivo T1/T2 dual-weighted MRI and synergistic tumor diagnosis’ by Zhigao Yi et al., J. Mater. Chem. B, 2016, 4, 2715–2722, https://doi.org/10.1039/C5TB02375K.
Correction: A multicolor carbon dot doped nanofibrous membrane for unclonable anti-counterfeiting and data encryption
Authors: Qiang Shunfei , Yuan Ke , Cheng Yanyan , Long Guoqiang , Zhang Wenkai , Lin Xiaofeng , Chai Xiuli , Fang Xiaomin , Ding Tao
Published: October 2023

Correction for ‘A multicolor carbon dot doped nanofibrous membrane for unclonable anti-counterfeiting and data encryption’ by Shunfei Qiang et al., J. Mater. Chem. C, 2023, 11, 7076–7087, https://doi.org/10.1039/D3TC00794D.
Risk of delayed bleeding after colorectal endoscopic submucosal dissection: the Limoges Bleeding Score
Authors: Enguita German Monica , Jacques Jérémie , Albouys Jérémie , Montori Pina Sheyla , Boukechiche Safia , Albéniz Eduardo , Vidal Guillaume , Legros Romain , Dahan Martin , Lepetit Hugo , Pioche Mathieu , Schaefer Marion , Geyl Sophie , Carrier Paul , Loustaud-Ratti Veronique , Valgueblasse Virginie , Brule Clémentine , Rodrigues Rebecca
Published: October 2023

Background Clinically significant delayed bleeding (CSDB) is a frequent, and sometimes severe, adverse event after colorectal endoscopic submucosal dissection (ESD). We evaluated risk factors of CSDB after colorectal ESD.

Methods We analyzed a prospective registry of 940 colorectal ESDs performed from 2013 to 2022. The incidence of bleeding was evaluated up to 30 days. Risk factors for delayed bleeding were evaluated by multivariate logistic regression. A Korean scoring model was tested, and a new risk-scoring model was developed and internally validated.

Results CSDB occurred in 75 patients (8.0%). The Korean score performed poorly in our cohort, with a receiver operating characteristic (ROC) curve of 0.567. In the multivariate analysis, risk factors were age ≥75 years (odds ratio [OR] 1.63; 95%CI 0.97–2.73; 1 point), use of antithrombotics (OR 1.72; 95%CI 1.01–2.94; 1 point), rectal location (OR 1.51; 95%CI 0.92–2.48; 1 point), size >50 mm (OR 3.67; 95%CI 2.02–7.14; 3 points), and American Society of Anesthesiologists (ASA) score of III or IV (OR 2.26; 95%CI 1.32–3.92; 2 points). The model showed fair calibration and good discrimination, with an area under the ROC curve of 0.751 (95%CI 0.690–0.812). The score was used to define two groups of patients, those with low–medium risk (0 to 4 points) and high risk (5 to 8 points) for CSDB (respective bleeding rates 4.1% and 17.5%).

Conclusion A score based on five simple and meaningful variables was predictive of CSDB.
Results of an International Survey on Spinal Imaging by the ASNR/ASSR/ESNR/ESSR “Nomenclature 3.0” Working Group
Authors: D'Anna Gennaro , Shah Lubdha , Kranz Peter G. , Hirsch Joshua A. , Khan M. , Johnson Michele , Feydy Antoine , Nathan J. , Manfre L. , Nguyen Dan T. , Sze Gordan , Goethem Johan Van , Vanhoenacker Filip M.
Published: October 2023

Our goal was to determine if “Nomenclature 2.0,” the classification of lumbar disk pathology consensus, should be updated. We conducted a social media and e-mail-based survey on preferences regarding the use of classification on magnetic resonance spine reporting. Members of the European Society of Neuroradiology, European Society of Musculoskeletal Radiology, American Society of Neuroradiology, and American Society of Spine Radiology received a 15-question online survey between February and March 2022. A total of 600 responses were received from 63 countries. The largest number of responses came from Italy and the United States. We found that 71.28% of respondents used Nomenclature 2.0, Classification of Lumbar Disk Pathology. But classification on stenosis is used less often: 53.94% and 60% of respondents do not use any classification of spinal canal stenosis and foraminal stenosis, respectively. When queried about which part of Nomenclature needs improving, most respondents asked for a Structured Reporting Template (SRT), even though 58.85% of respondents do not currently use any template and 54% routinely use a clinical information questionnaire. These results highlight the importance of an updated Nomenclature 3.0 version that integrates the classifications of lumbar disk disease and spinal canal and foraminal stenosis. Further attention should also be directed toward developing a robust endorsed SRT.
Gas Exchange in the Lung
Authors: Petersson Johan , Glenny Robb W.
Published: October 2023

Gas exchange in the lung depends on tidal breathing, which brings new oxygen to and removes carbon dioxide from alveolar gas. This maintains alveolar partial pressures that promote passive diffusion to add oxygen and remove carbon dioxide from blood in alveolar capillaries. In a lung model without ventilation and perfusion (V̇AQ̇) mismatch, alveolar partial pressures of oxygen and carbon dioxide are primarily determined by inspiratory pressures and alveolar ventilation. Regions with shunt or low

ratios worsen arterial oxygenation while alveolar dead space and high

lung units lessen CO2 elimination efficiency. Although less common, diffusion limitation might cause hypoxemia in some situations. This review covers the principles of lung gas exchange and therefore mechanisms of hypoxemia or hypercapnia. In addition, we discuss different metrics that quantify the deviation from ideal gas exchange.
Main Portal Vein Diameter Changes in Patients Undergoing Gastric Surgery for Malignancy: An Observational CT Study
Authors: Gündoğdu Elif , Bayav Fatma Didem , Karakaya İhsan Burak , Türker Barış , Özer İlter
Published: October 2023

Background In the follow-up computed tomography (CT) examinations of patients who had undergone gastrectomy for gastric malignancy in our center, we noticed by chance that there was an isolated increase in the diameter of the main portal vein (MPV) without other radiological findings of portal hypertension.

Objectives In this study, we aimed to evaluate whether the MPV diameter of patients who had gastric surgery for malignancy differed in the preoperative and postoperative periods and its change over time in patients who underwent postoperative follow-up examinations.

Materials and Methods The CT images of 240 patients who underwent abdomen CT for staging and follow-up gastric malignancy between January 2017 and September 2021 were evaluated retrospectively. The CT scans of the remaining 149 patients after the exclusion criteria were included in the study. All CT imaging was performed using multidetector CT (64 or 128 slice) in portal venous phases. The images were evaluated by two radiologists based on consensus. Maximum MPV diameter were measured outer wall to outer wall with calipers on axial images at the level of 1 cm distal to the portosplenic confluence.

Results One hundred forty-nine patients included in the study had preoperative CT examination. Eighty-three patients had follow-up CT examination at third month, 89 patients at sixth month, and 99 patients at first year. The MPV diameters differed significantly between preoperative CT and postoperative third month, sixth month, and first year CT (p = 0.001, p = 0.001, and p = 0.001, respectively). There was no difference in MPV diameter between postoperative third month CT and postoperative 6th month and 1st year CT (p = 0.514 and p = 0.078, respectively).

Conclusion There is an increase in MPV diameter in the first 3 months postoperatively in patients undergoing gastric surgery for malignancy. This enlargement continues unchanged in the first 1 year follow-up. The radiologists' awareness of this situation may prevent the wrong diagnosis of portal hypertension, unnecessary concern, and further investigation.
Imaging in a Rare Case of Neonatal Arterial Tortuosity Syndrome
Authors: Inserra Maria Cristina , Di Mari Alessia , Passaniti Giulia , Cannizzaro Maria Teresa , La Rosa Giuliana , Poli Daniela , Gitto Placido , Patanè Laura , Romeo Placido
Published: October 2023

Arterial tortuosity syndrome (ATS) is a very rare autosomal recessive disorder that affects the connective tissue. The incidence of ATS is not well known and to date only 106 patients have been described in the literature. ATS affects medium and large size arteries, leading to widespread elongation and intensification of the average vessel tortuousness, responsible of several loops and kinks. Like other connective tissue disorders, ATS can present with joint laxity, hernias, pectus excavatum, scoliosis or other musculoskeletal abnormalities, and ocular defects. Due to the extreme variability of clinical symptoms and the fact that ATS has no curative management, prompt diagnosis is of tremendous importance to prevent disease-associated complications. In this situation, imaging techniques have a central role. In this study, we describe a rare case of a male newborn with tortuosity and lengthening of the main arterial and venous medium and large caliber branches with associated aortic coarctation who passed away prematurely. The finding of aortic coarctation in a newborn with ATS has rarely been described in the literature.
Developments and further applications of ephemeral data derived potentials
Authors: Salzbrenner Pascal T. , Joo Se Hun , Conway Lewis J. , Cooke Peter I. C. , Zhu Bonan , Matraszek Milosz P. , Witt William C. , Pickard Chris J.
Published: October 2023

Machine-learned interatomic potentials are fast becoming an indispensable tool in computational materials science. One approach is the ephemeral data-derived potential (EDDP), which was designed to accelerate atomistic structure prediction. The EDDP is simple and cost-efficient. It relies on training data generated in small unit cells and is fit using a lightweight neural network, leading to smooth interactions which exhibit the robust transferability essential for structure prediction. Here, we present a variety of applications of EDDPs, enabled by recent developments of the open-source EDDP software. New features include interfaces to phonon and molecular dynamics codes, as well as deployment of the ensemble deviation for estimating the confidence in EDDP predictions. Through case studies ranging from elemental carbon and lead to the binary scandium hydride and the ternary zinc cyanide, we demonstrate that EDDPs can be trained to cover wide ranges of pressures and stoichiometries, and used to evaluate phonons, phase diagrams, superionicity, and thermal expansion. These developments complement continued success in accelerated structure prediction.
Low frequency sound isolation by a metasurface of Helmholtz ping-pong ball resonators
Authors: Sabat R. , Cochin E. , Kalderon M. , Lévêque G. , Antoniadis I. , Djafari-Rouhani B. , Pennec Y.
Published: October 2023

We study both numerically and experimentally an acoustic metasurface based on coupled Helmholtz resonators to obtain broadband low-frequency spectral responses for acoustic insulation. A hierarchical approach is proposed, starting from single and coupled Helmholtz resonators, up to a periodic array of resonators. To this end, we performed numerical simulations using the finite element method, in which the resonators are modeled as drilled rigid spheres in airborne environment and experimental demonstrations based on ping-pong balls as Helmholtz resonators in an acoustic reverberation box. We showed the alteration of the low-frequency response of acoustic insulation resulting from inter-unit coupling in acoustic metasurfaces, and the apparition of additional attenuation by inserting a plexiglass board as support for the structure.
Porous pseudo-substrates for InGaN quantum well growth: Morphology, structure, and strain relaxation
Authors: Ji Yihong , Frentrup Martin , Zhang Xiaotian , Pongrácz Jakub , Fairclough Simon M. , Liu Yingjun , Zhu Tongtong , Oliver Rachel A.
Published: October 2023

Strain-related piezoelectric polarization is detrimental to the radiative recombination efficiency for InGaN-based long wavelength micro-LEDs. In this paper, partial strain relaxation of InGaN multiple quantum wells (MQWs) on the wafer scale has been demonstrated by adopting a partially relaxed InGaN superlattice (SL) as the pseudo-substrate. Such a pseudo-substrate was obtained through an electro-chemical etching method, in which a sub-surface InGaN/InGaN superlattice was etched via threading dislocations acting as etching channels. The degree of strain relaxation in MQWs was studied by x-ray reciprocal space mapping, which shows an increase of the in-plane lattice constant with the increase of etching voltage used in fabricating the pseudo-substrate. The reduced strain in the InGaN SL pseudo-substrate was demonstrated to be transferable to InGaN MQWs grown on top of it, and the engineering of the degree of strain relaxation via porosification was achieved. The highest relaxation degree of 44.7% was achieved in the sample with the porous InGaN SL template etched under the highest etching voltage. Morphological and structural properties of partially relaxed InGaN MQWs samples were investigated with the combination of atomic force and transmission electron microscopy. The increased porosity of the InGaN SL template and the newly formed small V-pits during QW growth are suggested as possible origins for the increased strain relaxation of InGaN MQWs.
Coupling of OpenFOAM with a Lagrangian vortex particle method for external aerodynamic simulations
Authors: Pasolari R. , Ferreira C. , van Zuijlen A.
Published: October 2023

In the field of computational aerodynamics, it is vital to develop tools that can accurately, but also efficiently, simulate the flow around bluff objects and calculate the aerodynamic forces acting on them. When strong body–vortex interactions take place, the simulations become more demanding, since complex phenomena appear. To address this issue, hybrid Eulerian–Lagrangian solvers have been developed and are increasingly used in the field. In this paper, a Vortex Particle Method (VPM) is coupled with the OpenFOAM software. The Eulerian solver (OpenFOAM) resolves the regions close to the solid boundaries, while the vortex particles evolve the wake downstream, significantly reducing artificial diffusion. The coupling strategy and the validation results of a hybrid code based on the domain decomposition technique are presented. This work is the first to couple OpenFOAM with a Lagrangian solver in the framework of a hybrid solver. Our objective is twofold: to verify the capability of OpenFOAM to run with a VPM and to validate the hybrid solver using benchmark cases. We demonstrate the validation of the solver on the Lamb–Oseen vortex case, the dipole case in the unbounded domain, and the flow around a cylinder at Re = 550. Our results show that coupling OpenFOAM with a VPM can be achieved without complications and efficiently reproduces the results of pure Eulerian simulations.
In situ monitoring of lithium electrodeposition using transient grating spectroscopy
Authors: Yang Runqing , Szeto Harrison , Zou Brandon , Spitaleri Emily , Liao Bolin , Zhu Yangying
Published: October 2023

Mechanisms of lithium electrodeposition, which overwhelmingly affect lithium metal battery performance and safety, remain insufficiently understood due to its electrochemical complexity. Novel, nondestructive, and in situ techniques to probe electrochemical interfaces during lithium electrodeposition are highly desirable. In this work, we demonstrate the capability of transient grating spectroscopy to monitor lithium electrodeposition at the micrometer scale by generating and detecting surface acoustic waves that sensitively interact with the deposited lithium. Specifically, we show that the evolution of the frequency, velocity, and damping rate of the surface acoustic waves strongly correlates with the lithium nucleation and growth process. Our work illustrates the sensitivity of high-frequency surface acoustic waves to micrometer scale changes in electrochemical cells and establishes transient grating spectroscopy as a versatile platform for future in situ investigation of electrochemical interfaces.
Persistent effects of inertia on diffusion-influenced reactions: Theoretical methods and applications
Authors: Lee Sangyoub , Traytak Sergey D. , Seki Kazuhiko
Published: October 2023

The Cattaneo–Vernotte model has been widely studied to take momentum relaxation into account in transport equations. Yet, the effect of reactions on the Cattaneo–Vernotte model has not been fully elucidated. At present, it is unclear how the current density associated with reactions can be expressed in the Cattaneo–Vernotte model. Herein, we derive a modified Cattaneo–Vernotte model by applying the projection operator method to the Fokker–Planck–Kramers equation with a reaction sink. The same modified Cattaneo–Vernotte model can be derived by a Grad procedure. We show that the inertial effect influences the reaction rate coefficient differently depending on whether the intrinsic reaction rate constant in the reaction sink term depends on the solute relative velocity or not. The momentum relaxation effect can be expressed by a modified Smoluchowski equation including a memory kernel using the Cattaneo–Vernotte model. When the intrinsic reaction rate constant is independent of the reactant velocity and is localized, the modified Smoluchowski equation should be generalized to include a reaction term without a memory kernel. When the intrinsic reaction rate constant depends on the relative velocity of reactants, an additional reaction term with a memory kernel is required because of competition between the current density associated with the reaction and the diffusive flux during momentum relaxation. The competition effect influences even the long-time reaction rate coefficient.
Switching current distributions in ferromagnetic anomalous Josephson junctions
Authors: Guarcello C. , Bergeret F. S. , Citro R.
Published: October 2023

We investigate the switching current distributions of ferromagnetic anomalous Josephson junctions subjected to a linearly increasing bias current. Our study uncovers a significant correlation between the position of the switching current distributions and crucial system parameters, such as the strength of the spin–orbit coupling and the Gilbert damping parameter. This indicates that these parameters can be directly determined through experimental measurements. By conducting a comprehensive analysis of the interplay among noise, magnetization, phase dynamics, and the statistical properties of the switching current distribution, we deepen our understanding of these intriguing cryogenic spintronics devices. These findings hold potential for applications in the field of quantum computing architectures and information processing technologies.
Capturing the interactions in the BaSnF4 ionic conductor: Comparison between a machine-learning potential and a polarizable force field
Authors: Lian Xiliang , Salanne Mathieu
Published: October 2023

BaSnF4 is a prospective solid state electrolyte for fluoride ion batteries. However, the diffusion mechanism of the fluoride ions remains difficult to study, both in experiments and in simulations. In principle, ab initio molecular dynamics could allow to fill this gap, but this method remains very costly from the computational point of view. Using machine learning potentials is a promising method that can potentially address the accuracy issues of classical empirical potentials while maintaining high efficiency. In this work, we fitted a dipole polarizable ion model and trained machine learning potential for BaSnF4 and made comprehensive comparisons on the ease of training, accuracy and efficiency. We also compared the results with the case of a simpler ionic system (NaF). We show that contrarily to the latter, for BaSnF4 the machine learning potential offers much higher versatility. The current work lays foundations for the investigation of fluoride ion mobility in BaSnF4 and provides insight on the choice of methods for atomistic simulations.
Active and passive microrheology with large tracers in hard colloids
Authors: Orts F. , Maier M. , Fuchs M. , Ortega G. , Garzón E. M. , Puertas A. M.
Published: October 2023

The dynamics of a tracer particle in a bath of quasi-hard colloidal spheres is studied by Langevin dynamics simulations and mode coupling theory (MCT); the tracer radius is varied from equal to up to seven times larger than the bath particles radius. In the simulations, two cases are considered: freely diffusing tracer (passive microrheology) and tracer pulled with a constant force (active microrheology). Both cases are connected by linear response theory for all tracer sizes. It links both the stationary and transient regimes of the pulled tracer (for low forces) with the equilibrium correlation functions; the velocity of the pulled tracer and its displacement are obtained from the velocity auto-correlation function and the mean squared displacement, respectively. The MCT calculations give insight into the physical mechanisms: At short times, the tracer rattles in its cage of neighbours, with the frequency increasing linearly with the tracer radius asymptotically. The long-time tracer diffusion coefficient from passive microrheology, which agrees with the inverse friction coefficient from the active case, arises from the transport of transverse momentum around the tracer. It can be described with the Brinkman equation for the transverse flow field obtained in extension of MCT, but cannot be recovered from the MCT kernel coupling to densities only. The dynamics of the bath particles is also studied; for the unforced tracer the dynamics is unaffected. When the tracer is pulled, the velocity field in the bath follows the prediction of the Brinkman model, but different from the case of a Newtonian fluid.
Numerical investigation of the flow characteristics of supercritical carbon dioxide in a high-speed rotating annular gap
Authors: Lu Fengxiong , Guo Chaohong , Zhang Shijie , Chen Buze , Xu Xiang
Published: October 2023

The flow characteristics of Taylor–Couette–Poiseuille flow induced by supercritical carbon dioxide in an annular gap play a pivotal role in determining the overall performance of the rotating machinery. To accurately design the structural components of rotating machinery and enhance its efficiency, this study employs the large eddy simulation method to investigate the flow behavior of Taylor–Couette–Poiseuille flow with supercritical carbon dioxide within an annular gap. The results reveal that vortices are predominantly generated near the inner wall. Initially, the flow exhibits small swirl vortices, spiral ring vortices, and annular vortices along the flow direction. As the flow progresses, these small vortices at the inlet region transition into hairpin swirl vortices. Finally, turbulent flow disturbances lead to the fragmentation and merging of spiral and annular vortices, resulting in a flow field characterized by high-frequency hairpin swirl vortices and small vortices with strong randomness. An increase in the swirl number causes the initial position of the Taylor vortex to shift toward the inlet, while the turbulent kinetic energy is more active on the outer wall side than the inner wall side. Along the flow direction, the vortices experience a developmental process involving stabilization, diffusion, and mixing. Varying the radius ratio affects the magnitude of vorticity, reduces velocity fluctuations in a regular pattern, and alters the distribution of helicity bands from wide and sparse to compact and dense groupings. As the axial Reynolds number increases, the magnitude of vortices grows, leading to more severe velocity fluctuations and the transformation of the helicity bands from a regular annular pattern to fluctuating vortices bands, accompanied by a decrease in helicity.
Multi-layer Rayleigh–Taylor instability: Consequences for naturally occurring stratified mixing layers
Authors: Sengupta Aditi , Ulloa Hugo N. , Joshi Bhavna
Published: October 2023

The present study investigates the behavior of multi-layer Rayleigh–Taylor instability (RTI) and enstrophy transport in the flow using a three-dimensional computational framework. The dynamics of RTI are explored in a monotonically unstable stratified fluid system composed of air at different constant temperatures, initially separated by insulating partitions. Our results illustrate the formation of a multi-layer RTI system and the growth of convective mixing layers from interfaces between consecutive layers. The behavior of single-layer and multi-layer RTI is compared by considering the influence of Atwood numbers on growth and characteristics of the mixing layers. We found that the presence of multiple layers affects the onset and development of RTI. The merging of top layers leads to accelerated mixing layer growth, while the bottommost layer experiences early-stage RTI. Furthermore, we utilize the compressible enstrophy transport equation to characterize dominant mechanisms controlling the spatiotemporal evolution of the multi-layer RTI. The results highlight the significance of viscous and compressibility terms, especially in the center. In contrast, the vortex stretching term dominates near side walls for later stages of the RTI. These insights enrich the understanding of multi-layer RTI and its effects on enstrophy transport and mixing in unstably stratified fluid systems, providing valuable data for validating numerical methods and informing future research in related fields.
Reynolds number effect correction of multi-fidelity aerodynamic distributions from wind tunnel and simulation data
Authors: Yang Hua , Chen Shu-sheng , Gao Zheng-hong , Jiang Quan-feng , Jin Shi-yi
Published: October 2023

Conventional wind tunnels cannot simulate actual flight Reynolds numbers because of testing condition constraints. The changes in aerodynamic characteristics caused by differences in the Reynolds number are especially sensitive on transonic supercritical airfoils and wings. Accordingly, this study proposes a correction method for the Reynolds number effect based on feature extraction of multi-fidelity aerodynamic distributions. Correcting wind tunnel test results at low Reynolds numbers with large amounts of numerical simulation data across various Reynolds numbers allows this method to achieve greater precision on airfoil pressure distribution predictions at high Reynolds numbers. The first step is to extract the primary features of the surface pressure distribution of the supercritical airfoil using the proper orthogonal decomposition technique. Next, a multi-fidelity neural network model is employed to relate the (low-fidelity) simulation data to the (high-fidelity) wind tunnel data acquired at low Reynolds numbers. Finally, the model is used to predict the airfoil pressure distributions at high Reynolds numbers, and the predictions are validated using wind tunnel test data collected from the RAE2822 airfoil. The results indicate that this approach can provide more accurate estimations than numerical simulations and single-fidelity models. Additionally, it can effectively reduce the impact of the Reynolds number difference on the transonic aerodynamic properties of supercritical airfoils.
The hidden order of Turing patterns in arid and semi‐arid vegetation ecosystems
Authors: Ge Zhenpeng
Published: October 2023

Vegetation Turing patterns play a critical role in the ecological functioning of arid and semi‐arid ecosystems. However, the long-range spatial features of these patterns have been neglected compared to short-range features like patch shape and spatial wavelength. Drawing inspiration from hyperuniform structures in material science, we find that the arid and semi‐arid vegetation Turing pattern exhibits long-range dispersion similar to hyperuniformity. As the degree of hyperuniformity of the vegetation Turing pattern increases, so does the water-use efficiency of the vegetation. This finding supports previous studies that suggest that Turing patterns represent a spatially optimized self-organization of ecosystems for water acquisition. The degree of hyperuniformity of Turing-type ecosystems exhibits significant critical slowing down near the tipping point, indicating that these ecosystems have non-negligible transient dynamical behavior. Reduced rainfall not only decreases the resilience of the steady state of the ecosystem but also slows down the rate of spatial optimization of water-use efficiency in long transient regimes. We propose that the degree of hyperuniformity indicates the spatial resilience of Turing-type ecosystems after strong, short-term disturbances. Spatially heterogeneous disturbances that reduce hyperuniformity lead to longer recovery times than spatially homogeneous disturbances that maintain hyperuniformity.
The adaptive stochasticity hypothesis: Modeling equifinality, multifinality, and adaptation to adversity
Authors: Carozza Sofia , Akarca Danyal , Astle Duncan
Published: October 2023

Neural phenotypes are the result of probabilistic developmental processes. This means that stochasticity is an intrinsic aspect of the brain as it self-organizes over a protracted period. In other words, while both genomic and environmental factors shape the developing nervous system, another significant—though often neglected—contributor is the randomness introduced by probability distributions. Using generative modeling of brain networks, we provide a framework for probing the contribution of stochasticity to neurodevelopmental diversity. To mimic the prenatal scaffold of brain structure set by activity-independent mechanisms, we start our simulations from the medio-posterior neonatal rich club (Developing Human Connectome Project,
n
= 630). From this initial starting point, models implementing Hebbian-like wiring processes generate variable yet consistently plausible brain network topologies. By analyzing repeated runs of the generative process (>10
7
simulations), we identify critical determinants and effects of stochasticity. Namely, we find that stochastic variation has a greater impact on brain organization when networks develop under weaker constraints. This heightened stochasticity makes brain networks more robust to random and targeted attacks, but more often results in non-normative phenotypic outcomes. To test our framework empirically, we evaluated whether stochasticity varies according to the experience of early-life deprivation using a cohort of neurodiverse children (Centre for Attention, Learning and Memory;
n
= 357). We show that low-socioeconomic status predicts more stochastic brain wiring. We conclude that stochasticity may be an unappreciated contributor to relevant developmental outcomes and make specific predictions for future research.
Evolution and environment of Caribbean coastal ecosystems
Authors: Jackson Jeremy B. C. , O’Dea Aaron
Published: October 2023

Isolation of the Caribbean Sea from the tropical Eastern Pacific by uplift of the Isthmus of Panama in the late Pliocene was associated with major, taxonomically variable, shifts in Caribbean biotic composition, and extinction, but inferred causes of these biological changes have remained elusive. We addressed this through falsifiable hypotheses about how independently determined historical changes in oceanographic conditions may have been responsible. The most striking environmental change was a sharp decline in upwelling intensity as measured from decreases in intra-annual fluctuations in temperature and consequently in planktonic productivity. We then hypothesized three general categories of biological response based upon observed differences in natural history between the oceans today. These include changes in feeding ecology, life histories, and habitats. As expected, suspension feeders and predators became rarer as upwelling declined. However, predicted increases in benthic productivity by reef corals, and benthic algae were drawn out over more than 1 Myr as seagrass and coral reef habitats proliferated; a shift that was itself driven by declining upwelling. Similar time lags occurred for predicted shifts in reproductive life history characteristics of bivalves, gastropods, and bryozoans. Examination of the spatial variability of biotic change helps to understand the time lags. Many older species characteristic of times before environmental conditions had changed tended to hang on in progressively smaller proportions of locations until they became extinct as expected from metapopulation theory and the concept of extinction debt. Faunal turnover may not occur until a million or more years after the environmental changes ultimately responsible.
Meaning integration in pseudocoordination
Authors: Kinn Torodd
Published: October 2023

Pseudocoordination in Scandinavian languages looks like VP
coordination but has a number of characteristics which have led some
researchers to regard it as not representing coordination. Research on
pseudocoordination has often focused on grammaticalization of the first
verb. But most researchers have concluded that very few such verbs actually
exhibit any notable degree of grammaticalization. This indicates that
grammaticalization is secondary, and it and calls for an improved
understanding of non-grammaticalized pseudocoordination – in itself and as a
precursor to grammaticalization. This article argues that pseudocoordination
represents VP coordination with additional semantic integration:
facilitation and backgrounding.
The fight metaphor in translation: From patriotism to pragmatism
Authors: Wu Yang
Published: October 2023

The fight metaphors discussed in this article are linguistic expressions of physical conflict, a revolutionary legacy that still lingers in contemporary Chinese political discourse. This article takes a critical cognitive-linguistic approach to fight metaphors in translation, analysing a dataset comprising the Chinese governmental and Communist Party of China’s congressional reports and their official English-language translations from 2004 to 2020. The discussion highlights conceptual metaphor’s representational role and its ideological potential in discourse, and operationalises the English-based metaphor identification procedure (Steen et al. 2010) for Mandarin texts. Drawing on corpus-based evidence, the article argues that fight metaphors in the source texts (STs) legitimise and consolidate Beijing’s dominance of domestic power by generating positive representations and reproducing patriotic ideology. The translations of those metaphors transform Beijing’s image, assertive in the STs, into a non-aggressive one for the international readership. The target texts (TTs) also reproduce favourable representations from the STs to justify China’s unique political system and to satisfy a pragmatic need – that of constructing positive images for the Chinese authority and China internationally.
Ferroelectricity and Large Rashba Splitting in Two-Dimensional Tellurium
Authors: Wang 王 Yao 垚 , Lei 雷 Zhenzhen 珍珍 , Zhang 张 Jinsen 金森 , Tao 陶 Xinyong 新永 , Hua 华 Chenqiang 陈强 , Lu 陆 Yunhao 赟豪
Published: October 2023

Two-dimensional (2D) ferroelectric (FE) systems are promising candidates for non-volatile nanodevices. Previous studies mainly focused on 2D compounds. Though counter-intuitive, here we propose several new phases of tellurium with (anti)ferroelectricity. Two-dimensional films can be viewed as a collection of one-dimensional chains, and lone-pair instability is responsible for the (anti)ferroelectricity. The total polarization is determined to be 0.34 × 10−10 C/m for the FE ground state. Due to the local polarization field in the FE film, we show a large Rashba splitting (α
R ∼ 2 eV⋅Å) with nonzero spin Hall conductivity for experimental detection. Furthermore, a dipole-like distribution of Berry curvature is verified, which may facilitate a nonlinear Hall effect. Because Rashba-splitting/Berry-curvature distributions are fully coupled with a polarization field, they can be reversed through FE phase transition. Our results not only broaden the elemental FE materials, but also shed light on their intriguing transport phenomena.
Impact of air exposure on growth rate and electrical properties of SnO2 thin films by atmospheric pressure spatial atomic layer deposition
Authors: Tran Thi My Hang , Nguyen Ngoc Linh , Mac Trung Kien , Duong Duc Anh , Nguyen Thien Thanh , Duong Anh-Tuan , Bui Hao Van , Nguyen Viet Huong
Published: October 2023

SnO2 thin film is one of the most studied transparent conductive materials that can be deposited using vacuum-free techniques such as atmospheric pressure spatial atomic layer deposition (AP-SALD). This work studies SnO2 thin films prepared from tin(II) acetylacetonate and water vapor, with a particular focus on the impact of air exposure during the AP-SALD process on the growth rate and electrical properties of the films. In-situ resistance measurements and ex-situ Hall effect characterization demonstrated that longer exposure time of the growing film surface to the open air (t
air) at 240 °C led to conductivity degradation, while the film thickness decreases. The theoretical calculations show that −OH and

O

2

dm

(oxygen molecule adsorbed on the five-coordinated Sn atom, also called O2 dimer) are the two most stable surface structures. The formation of

O

2

dm

is shown as the most thermodynamically favorable oxygen-related species on SnO2(110) surface formed when the film is exposed to the open air, giving rise to both the decrease of film thickness (associated with the desorption of −OH surface groups) and the increase of film resistivity versus t
air. The optimized polycrystalline SnO2 sample demonstrated relatively good electrical performance, including an electrical resistivity of 9.3 × 10−3 Ω.cm, carrier density of 9.2 × 1019 cm−3, and Hall mobility of 7.3 cm2 V−1 s−1 at a growth temperature as low as 240 °C. Our findings reveal the critical impact of processing in the open air on the electrical conductivity of the obtained SnO2 films by AP-SALD coating technology.
Improved genetic algorithm for 2D resin flow model optimization in VARTM process
Authors: Liu Meijun , Cheng Liwei , Xu Jiazhong
Published: October 2023

In this study, a combination of block-centered grid modeling and an enhanced genetic algorithm (GA) is introduced with the aim of optimizing the random permeability field within the Vacuum Assisted Resin Transfer Molding (VARTM) infusion model to enhance the accuracy of predicted resin flow distribution. Within the established 2D-VARTM model, random permeability values in the x and y directions are assigned to each grid. The model is then solved using the central difference method in conjunction with the upstream weighting method to predict the resin flow distribution. Subsequently, an improved GA based on heuristic mutation strategies was designed and validated. This algorithm employs the discrepancy between model predictions and actual sampling results as its fitness function and integrates heuristic strategies for iterative optimization. Simulation results revealed a significant improvement in the predictive accuracy of the model, with a jump from an initial 87.49%–97.19%. In practical applications, the predictive accuracy of the model reached 95.25%. This research offers an effective optimization approach for VARTM models and underscores the potential applicability of the enhanced GA in related fields.
High photoresponsivity MoS2 phototransistor through enhanced hole trapping HfO2 gate dielectric
Authors: Long Pei-Xuan , Lai Yung-Yu , Kang Pei-Hao , Chuang Chi-Huang , Cheng Yuh-Jen
Published: October 2023

Phototransistor using 2D semiconductor as the channel material has shown promising potential for high sensitivity photo detection. The high photoresponsivity is often attributed to the photogating effect, where photo excited holes are trapped at the gate dielectric interface that provides additional gate electric field to enhance channel charge carrier density. Gate dielectric material and its deposition processing conditions can have great effect on the interface states. Here, we use HfO2 gate dielectric with proper thermal annealing to demonstrate a high photoresponsivity MoS2 phototransistor. When HfO2 is annealed in H2 atmosphere, the photoresponsivity is enhanced by an order of magnitude as compared with that of a phototransistor using HfO2 without annealing or annealed in Ar atmosphere. The enhancement is attributed to the hole trapping states introduced at HfO2 interface through H2 annealing process, which greatly enhances photogating effect. The phototransistor exhibits a very large photoresponsivity of 1.1 × 107 A W−1 and photogain of 3.3 × 107 under low light illumination intensity. This study provides a processing technique to fabricate highly sensitive phototransistor for low optical power detection.
Implications of fitting a two-compartment model in single-shell diffusion MRI
Authors: Chad Jordan A , Sochen Nir , Chen J Jean , Pasternak Ofer
Published: October 2023

It is becoming increasingly common for studies to fit single-shell diffusion MRI data to a two-compartment model, which comprises a hindered cellular compartment and a freely diffusing isotropic compartment. These studies consistently find that the fraction of the isotropic compartment (f) is sensitive to white matter (WM) conditions and pathologies, although the actual biological source of changes in f has not been validated. In this work we put aside the biological interpretation of f and study the sensitivity implications of fitting single-shell data to a two-compartment model. We identify a nonlinear transformation between the one-compartment model (diffusion tensor imaging, DTI) and a two-compartment model in which the mean diffusivities of both compartments are effectively fixed. While the analytic relationship implies that fitting this two-compartment model does not offer any more information than DTI, it explains why metrics derived from a two-compartment model can exhibit enhanced sensitivity over DTI to certain types of WM processes, such as age-related WM differences. The sensitivity enhancement should not be viewed as a substitute for acquiring multi-shell data. Rather, the results of this study provide insight into the consequences of choosing a two-compartment model when only single-shell data is available.