bluuebunny/crossref_metadata_2025 huggingface dataset:
DNA-compatible combinatorial synthesis of functionalized 2-thiobenzazole scaffolds
Authors: Li Xianfeng , Liu Changyang , Gao Yuting , Zhang Gong , Li Yangfeng , Li Yizhou
Published: July 2023

DNA-compatible combinatorial synthetic reaction allowed the introduction of the pharmaceutically privileged 2-thiobenzimidazole and 2-thiobenzoxazole scaffold.
Coexistence of ferroelectricity and ferromagnetism in hex-GeS nanowires
Authors: Zhu Jiajun , Zhao Heyun , Hu Wanbiao
Published: July 2023

A novel 1D ferroelectric hex-GeS nanowire with coexisting ferromagnetism is predicted, with the potential for high-performance spintronic applications.
Evaporation kinetics during containerless chemical synthesis of ZIF-8 in levitated droplets
Authors: Zheng Yuhang , Zhuang Qiang , Ruan Ying , Wei Bingbo
Published: July 2023

Zeolitic imidazolate framework-8 was synthesized in a containerless state via acoustic levitation.
Spin-splitting and switchable half-metallicity in a van der Waals multiferroic CuBiP2Se6/GdClBr heterojunction
Authors: Zhang Kai , Wang Xiaocha , Mi Wenbo
Published: July 2023

Multiferroic van der Waals (vdW) heterojunctions have a strong and nonvolatile magnetoelectric coupling effect, which is of great significance in spintronic devices.
Water molecules mute the dependence of the double-layer potential profile on ionic strength
Authors: Limaye Aditya , Suvlu Dylan , Willard Adam P.
Published: July 2023

We study the effects of changing electrolyte concentration on interfacial potential profiles, specifically comparing the predictions of continuum-level theory and all-atom molecular dynamics simulation.
A scalable stable porous coordination polymer synthesized from low-cost precursors for efficient C2H2/C2H4 separation
Authors: Huang Hengcong , Gu Yifan , Wang Luyao , Jia Tao , Kitagawa Susumu , Li Fengting
Published: July 2023

A potential adsorbent for C2H2/C2H4 separation, TJE-1, integrating high performance and low cost, is designed by the rational distribution of supramolecular interaction sites on stable coordination structure from low-cost precursors and scale-up synthesis.
Towards environmentally friendly processing of ionic liquid-based photoresists with a boosted lithography performance
Authors: Liu Lifei , Song Kuntong , Feng Tong , Song Ting , Li Jintong , Chen Shangqing , Zhao Weizhen , Zhang Suojiang
Published: July 2023

The development of a sustainable process for producing high-performance photoresists is desirable yet challenging.
Quantum tailoring for polarization-discriminating Bi2S3 nanowire photodetectors and their multiplexing optical communication and imaging applications
Authors: Yi Huaxin , Ma Churong , Wang Wan , Liang Huanrong , Cui Rui , Cao Weiwei , Yang Hailin , Ma Yuhang , Huang Wenjing , Zheng Zhaoqiang , Zou Yichao , Deng Zexiang , Yao Jiandong , Yang Guowei
Published: July 2023

Programmable optoelectronic dichroism has been demonstrated by quantum tailoring of Bi2S3 nanowire photodetectors, and multiplexing optical communications as well as polarimetric imaging have been developed.
Magnetic Fe NPs as a peroxidase nanozyme for sensitive and rapid colorimetric monitoring of H2O2 and xanthine
Authors: Wu Yan , He Mengjie , Zang Honghui , Wang Junli , Li Jing , Yue Ting , Xu Rong , Jiang Yueshan , Zhao Fang , Chen Siyi
Published: July 2023

A colorimetric approach employing magnetic Fe NPs with peroxidase-like activity as a nanozyme for rapid and sensitive monitoring of H2O2 and blood xanthine has been proposed.
4-Chloro-3-nitrocoumarin as a precursor for synthesis of 2-arylchromeno[3,4-b]pyrrol-4(3H)-ones: a case of nitro group directed reductive coupling
Authors: Sathyanarayana Balasubrahmanya K. , Manjappa Kiran B. , Yang Ding-Yah
Published: July 2023

An unprecedented, base-mediated, nitro group-directed reductive coupling of 4-chloro-3-nitrocoumarin with α-bromoacetophenone under metal-free conditions is reported. The subsequent reductive intramolecular cyclization leads to versatile pyrrolocoumarins.
Exploiting the network architecture of thiol–ene photo-crosslinked poly(ε-caprolactone) towards tailorable materials for light-based 3D-printing
Authors: Quaak Astrid , Thijssen Quinten , Van Vlierberghe Sandra
Published: July 2023

Thiol–ene photo-crosslinked poly-ε-caprolactone networks, exhibiting varying network architectures, were employed to fine-tune physico-chemical characteristics, while simultaneously exploring their potential application in digital light processing.
Going beyond structural effects: explicit solvation influence on the rotational isomerism of C-glycosylated flavonoids
Authors: de Andrade Karine N. , Martorano Lucas H. , Correa Guilherme S. , dos Santos Fernando M. , Carneiro José Walkimar de M. , de Albuquerque Ana Carolina F. , Gomes Anne Caroline C. , Fiorot Rodolfo G.
Published: July 2023

Quantum-chemical calculations reveal that solvation plays a crucial role to the rotational isomerism in C-glycosyl-flavonoids, besides of the substituent effects.
A membrane intercalating metal-free conjugated organic photosensitizer for bacterial photodynamic inactivation
Authors: Magni Arianna , Mattiello Sara , Beverina Luca , Mattioli Giuseppe , Moschetta Matteo , Zucchi Anita , Paternò Giuseppe Maria , Lanzani Guglielmo
Published: July 2023

The molecule BV-1 is designed to target the bacterial membrane and produce reactive oxygen species at this location, leading to E. coli photo-inhibition at a relatively low minimum inhibition concentration.
Polymer up-cycling by mangana-electrocatalytic C(sp3)–H azidation without directing groups
Authors: Maksso Isaac , Samanta Ramesh C. , Zhan Yifei , Zhang Kai , Warratz Svenja , Ackermann Lutz
Published: July 2023

Selective up-cycling of polyolefins to C(sp3)–H azidated materials was achieved by electrocatalysis. The broad scope, ease of scale-up, and late-stage click-diversification are key features.
A selective chemosensor via click chemistry for Cu2+ and Hg2+ ions in organic media
Authors: Kumar Sachin , Lal Bajrang , Tittal Ram Kumar , Singh Gurleen , Singh Jandeep , D. Ghule Vikas , Sharma Renu , Sabane Jagjivan K.
Published: July 2023

A simple chemosensor, 4-amino antipyrine linked bis-1,2,3-triazole, was synthesized via the “click” approach using the CuAAC method and characterized by FTIR, NMR, and ESI-MS spectroscopy, for the selective detection of Hg(ii) and Cu(ii) ions.
A note about convected time derivatives for flows of complex fluids
Authors: Stone Howard A. , Shelley Michael J. , Boyko Evgeniy
Published: July 2023

We provide a direct derivation of the typical time derivatives used in a continuum description of complex fluid flows, relying on principles of the kinematics of line elements.
Mimicking effects of cholesterol in lipid bilayer membranes by self-assembled amphiphilic block copolymers
Authors: Wang Xiaoyuan , Xu Shixin , Cohen Fredric S. , Zhang Jiwei , Cai Yongqiang
Published: July 2023

Amphiphilic polymers self-assembly mimics phospholipid-cholesterol bilayer membranes.
Ultrahigh-voltage aqueous electrolyte for wide-temperature supercapacitors
Authors: Huang Shan , Li Zhuo , Li Peng , Du Xianfeng , Ma Mingbo , Liang Zhongshuai , Su Yaqiong , Xiong Lilong
Published: July 2023

This work provides a promising strategy to expand the wide electrochemical stability window of low concentrated aqueous electrolytes to replace commercial organic electrolytes with the aim of pushing aqueous supercapacitors into practical applications.
In situ insertion of shutter ions in MnO2 to boost the supercapacitive performance of flexible supercapacitors
Authors: Wei Haoyu , Sun Tongchuan , Liu Mingyue , Pang Qingyang , Qian Yuting , Dou Xinwen , Zhang Yuwei , Ju Qiang , Fang Zhenlan
Published: July 2023

Elevating the energy density of flexible supercapacitors by in situ insertion of a series of shutter ions into an akhtenskite-type MnO2 matrix in combination with constructing asymmetric supercapacitors with an extended voltage window.
Apta-sensor for selective determination of dopamine using chitosan-stabilized Prussian blue nanoparticles
Authors: Lee Han Been , Son Seong Eun , Seong Gi Hun
Published: July 2023

Chitosan-stabilized Prussian blue nanoparticles (CS/PBNPs) were fabricated by a simple synthetic method and used to develop a novel aptamer-based colorimetric assay for selective determination of dopamine (DA).
Computational insights into the interaction of water with the UiO-66 metal–organic framework and its functionalized derivatives
Authors: Zhang Jierui , Paesani Francesco , Lessio Martina
Published: July 2023

UiO-66 small tetrahedral pores host the preferential water adsorption sites. Hydrophilic functional groups boost the affinity of the octahedral pores for water, explaining the higher water uptake of functionalized UiO-66 at low relative humidity.
Body trajectory optimisation of walking gait for a quadruped robot
Authors: Zhang Minghuan , Zhu Yaguang , Cao Ao , Wei Qibin , Liu Qiong
Published: July 2023

To ensure that the robot can follow the planned trajectory, smooth switching between swinging legs and a smooth transition of motion process is realised. The previous motion planning work is analysed, and a method for improving the optimisation objective function and constraint conditions is proposed to eliminate the sudden change of acceleration and reduce the peak value of acceleration change. This method eliminates the impact phenomenon in the motor drive process and reduces the motor drive energy consumption, thus ensuring the smooth and consistent movement of the robot. The results show that the improved optimisation method has a better motion effect than the previous approach in terms of centre of mass motion speed, trajectory fitting and body posture change, and realises more robust motion of quadruped robots in a senseless state.
XQR-30: Black hole masses and accretion rates of 42 z  ≳  6 quasars
Authors: Mazzucchelli C. , Bischetti M. , D’Odorico V. , Feruglio C. , Schindler J.-T. , Onoue M. , Bañados E. , Becker G. D. , Bian F. , Carniani S. , Decarli R. , Eilers A.-C. , Farina E. P. , Gallerani S. , Lai S. , Meyer R. A. , Rojas-Ruiz S. , Satyavolu S. , Venemans B. P. , Wang F. , Yang J. , Zhu Y.
Published: July 2023

We present bolometric luminosities, black hole masses, and Eddington ratios for 42 luminous quasars at z ≳ 6 using high signal-to-noise ratio VLT/X-shooter spectra, acquired as part of the enlarged ESO Large Programme XQR-30. In particular, we derived the bolometric luminosities from the rest-frame 3000 Å luminosities using a bolometric correction from the literature, as well as the black hole masses by modeling the spectral regions around the C IV 1549 Å and the Mg II 2798 Å emission lines, with scaling relations calibrated in the Local Universe. We find that the black hole masses derived from both emission lines are in the same range and the scatter of the measurements agrees with expectations from the scaling relations. The Mg II-derived masses are between ∼(0.8−12) ×109 M⊙ and the derived Eddington ratios are within ∼0.13−1.73, with a mean (median) of 0.84(0.72). By comparing the total sample of quasars at z > 5.8, from this work and from the literature, to a bolometric luminosity distribution-matched sample at z ∼ 1.5, we find that quasars at high redshift host slightly less massive black holes, which accrete slightly more rapidly than those at lower z, with a difference in the mean Eddington ratios of the two samples of ∼0.27. These findings are in agreement with the results of recent works in the literature.
Grading evaluation of non-API OCTG quality level based on working conditions
Authors: Xu Mengfei , Feng Chun , Zhu Lijuan , Zhu Shidong , He Lei
Published: July 2023

The non-API standard series of oil country tubular goods (OCTG) have been developed rapidly to meet the increasing demand of the oil and gas fields, while the frequent accidents of non-API OCTG still occur due to the lack of a perfect quality management system. In this paper, the main types, service conditions, and the current status of quality evaluation technology of non-API OCTG at home and abroad were introduced. For the quality problems of non-API OCTG during the domestic application, the needs of the industry development needs and continuous improvement of quality management system were taken into consideration. Based on the working conditions, the quantitative evaluation method of quality grading was built by the grading idea represented by capability maturity model integration (CMMI) based on the field working conditions. And an evaluation method, including process maturity level, items, indexes and procedures, was proposed and verified. The results showed that the average value and level of quantitative evaluation results of quality grading were 81.5 and C, respectively, which was in good accordance with the current status of non-API product management. The evaluation method is more quantitative and targeted, which would provide for the completeness of the non-API product quality management system with methodological support and theoretical reference.
Can We Do Anything Else before Removing a Button Battery from the Esophagus?—Hyaluronic Acid
Authors: Bada-Bosch I. , Blanco Verdú M.D. , Cerdá J.A. , Fanjul M. , Ordoñez J. , Tolín Hernani M.M. , Miranda Cid C. , Sánchez Sánchez C. , De Agustín J.C.
Published: July 2023

Objective This article tests the protective effect of a commercially available mixture of hyaluronic acid, chondroitin sulfate, and poloxamer 407 on the damage caused by the exposure of esophageal mucosa to button batteries in an animal model.

Methods Experimental study. Sixty porcine esophageal samples were distributed in three groups: control (CG), exposure (EG), and exposure-protection (EPG). In EG and EPG, one CR2032 button battery per sample was inserted, both were subdivided into 2-, 4-, 6-, and 24-hour exposure subgroups, with subsequent battery removal. EPG samples were irrigated with the solution 1 hour after battery exposure. Esophageal pH and final voltage of the battery were measured.

Results pH in CG remained stable. No significant differences in pH at 1 hour were found between EG and EPG. In EPG, the pH of the mucosa exposed to the anode was lower than in GE at 2 hours (12.44 vs. 11.89, p = 0.203) and 4 hours (13.78 vs. 11.77, p < 0.0001). In the cathode pH was significantly higher in EG at 2 hours (2.5 vs. 4.11, p < 0.0001), 4 hours (2.33 vs. 4.78, p < 0.0001), and 6 hours (2.17 vs. 2.91, p < 0.0001). Significant voltage reduction at 1 hour was found in EG compared to EPG (0.48 vs. 1.08 V, p = 0.004).

Conclusion Exposure to hyaluronic acid solution buffers the acidification on the side exposed to the cathode and basification on the anode. This effect can be maintained up to 3 to 5 hours, even after stopping its application. Our results suggest that a solution containing hyaluronic acid could be used as an esophageal protector after accidental ingestion of button batteries.
Acid-Catalyzed [4+1]-Dearomatization Spiroannulation of Hydroquinones and Naphthols
Authors: Li Zhi , Ding Nan
Published: July 2023

Acid-catalyzed [4+1]-dearomatization spiroannulation reactions of electron-rich hydroquinone and naphthol derivatives were demonstrated as convenient methods to access spirocyclic cyclohexadienone derivatives. The Lewis acid Bi(OTf)3 exhibited the best catalytic performance when a 1,2-dialkynylbenzene was used as the electrophile for the spiroannulation, whereas the Brønsted acid benzene-1,2-disulfonic acid was the best catalyst when 2-ethynylbenzylic esters were used as electrophiles. Most of the reaction conditions are mild, efficient, and simple to operate.
Impact of a Novel Homeopathic Complex Medicine on the Management of Multiple Antibiotic-Resistant Bovine Mastitis: An Open-Label, Non-Randomized, Placebo-Controlled Trial
Authors: Laginestra Bruna de Fatima Antunes , de Sá Thaís Camaso , Borges Jessé Lahos , Marçal Matheus Basilio , Simões João Vitor Morais , Rodrigues Selma Alves , Gazim Zilda Cristiani , Piau Júnior Ranulfo
Published: July 2023

Background Bovine mastitis is characterized by an inflammatory process in the mammary gland and represents one of the main diseases affecting a dairy herd. Management of mastitis is most commonly via antibiotics, but the rising incidence of multiple antibiotic resistance (MAR) means that additional options are needed. Homeopathic products can be administered in dairy farming for a range of clinical reasons and may be preferential due to the absence of residues.

Objectives The aim of this study was to assess the potential of a novel homeopathic complex medicine in managing bovine mastitis.

Methods Twenty-four lactating Holstein cows with mastitis were divided into two groups: the homeopathic complex group received a homeopathic complex daily for 60 days at a dose of 20 g/d; the placebo group received the calcium carbonate vehicle without homeopathic medicines at the same dose and repetition. The main outcome measure was somatic cell count (SCC; cells/mL), with additional outcome measures including milk production (kg/d), milk constituents (percentage of protein, fat, lactose and total milk solids), and serum levels of cortisol, glucose, ammonia and lactic acid. All outcomes were measured at the beginning of the study and after 30 and 60 days. Milk samples were also collected from all animals at the beginning of the study, confirming a high (>0.2) MAR index for isolated bacterial cultures.

Results Assessment of SCC showed a statistically significant difference favoring the homeopathic complex versus placebo group at day 60. A reduction in serum cortisol levels and an increase in fat, lactose and total milk solids in animals treated with the homeopathic complex at day 60 were also seen. Other outcome measures did not show statistically significant inter-group differences.

Conclusion The results of this non-randomized, open-label, placebo-controlled trial suggest the potential for a novel homeopathic complex medicine in management of multiple antibiotic-resistant bovine mastitis, thus offering dairy farmers an additional option to antibiotics and making dairy products safer for consumer health and milk production more sustainable.
Skull and Scalp En-Bloc Harvest Protects Calvarial Perfusion: A Cadaveric Study
Authors: Lopez Christopher D. , Girard Alisa O. , Lake Isabel V. , Suresh Visakha , Abdou Hossam , Morrison Jonathan J. , Yang Robin , Gordon Chad R. , Redett Richard J.
Published: July 2023

Background Calvarial defects are severe injuries that can result from a wide array of etiologies. Reconstructive modalities for these clinical challenges include autologous bone grafting or cranioplasty with biocompatible alloplastic materials. Unfortunately, both approaches are limited by factors such as donor site morbidly, tissue availability, and infection. Calvarial transplantation offers the potential opportunity to address skull defect form and functional needs by replacing “like-with-like” tissue but remains poorly investigated.

Methods Three adult human cadavers underwent circumferential dissection and osteotomy to raise the entire scalp and skull en-bloc. The vascular pedicles of the scalp were assessed for patency and perfused with color dye, iohexol contrast agent for computed tomography (CT) angiography, and indocyanine green for SPY-Portable Handheld Imager assessment of perfusion to the skull.

Results Gross changes were appreciated to the scalp with color dye, but not to bone. CT angiography and SPY-Portable Handheld Imager assessment confirmed perfusion from the vessels of the scalp to the skull beyond midline.

Discussion/Conclusion Calvarial transplantation may be a technically viable option for skull defect reconstruction that requires vascularized composite tissues (bone and soft tissue) for optimal outcomes.
Ultrastable, high-repetition-rate attosecond beamline for time-resolved XUV–IR coincidence spectroscopy
Authors: Ertel D. , Schmoll M. , Kellerer S. , Jäger A. , Weissenbilder R. , Moioli M. , Ahmadi H. , Busto D. , Makos I. , Frassetto F. , Poletto L. , Schröter C. D. , Pfeifer T. , Moshammer R. , Sansone G.
Published: July 2023

The implementation of attosecond photoelectron–photoion coincidence spectroscopy for the investigation of atomic and molecular dynamics calls for a high-repetition-rate driving source combined with experimental setups characterized by excellent stability for data acquisition over time intervals ranging from a few hours up to a few days. This requirement is crucial for the investigation of processes characterized by low cross sections and for the characterization of fully differential photoelectron(s) and photoion(s) angular and energy distributions. We demonstrate that the implementation of industrial-grade lasers, combined with a careful design of the delay line implemented in the pump–probe setup, allows one to reach ultrastable experimental conditions leading to an error in the estimation of the time delays of only 12 as over an acquisition time of 6.5 h. This result opens up new possibilities for the investigation of attosecond dynamics in simple quantum systems.
Theoretical designs and experiments on dual-band input coupler for gyrotron traveling wave tube
Authors: Chen Rutai , Zhao Qixiang , Zhang Yanyan , Liang Yanyan , Lv You , Lu Ruiqi , Ma Mengshi , Feng Jinjun
Published: July 2023

In this paper, a novel K/Ka dual-band input coupler for the gyrotron traveling wave tube is theoretically and experimentally investigated. This input coupler mainly consists of three modules, a Y-type power division coupler, a coaxial cavity coupler, and a Bragg reflector. When the dual-band coupler operates in K-band, the Y-type coupler couples out the TE11 mode, and simulation results show the −1 dB bandwidth is 3.3 GHz in the frequency range of 17.9–21.2 GHz. In Ka-band, the TE21 mode coupled out by the coaxial cavity coupler, the −1 dB bandwidth is 3.5 GHz within 33.7–37.2 GHz, and the reflection coefficient keeps a pretty low level. The prototype was fabricated and measured to further verify the designed dual-band input coupler's performance. The back-to-back cold test results show that the −3 dB bandwidth of the K-band is about 2.5 GHz, and the −3 dB bandwidth of the Ka-band is 2.44 GHz.
Surface passivation of sequentially deposited perovskite solar cells by octylammonium spacer cations
Authors: Loizos Michalis , Tountas Marinos , Mangelis Panagiotis , Rogdakis Konstantinos , Kymakis Emmanuel
Published: July 2023

Effective passivation of defects is an important step toward achieving highly efficient and stable Perovskite Solar Cells (PSCs). In this work, we introduce the incorporation of two different octylammonium based spacer cations as 2D perovskite passivation layers, namely Octylammonium Bromide (OABr) and octylammonium iodide. PSCs with OABr as a 2D passivation layer demonstrated an enhanced Power Conversion Efficiency (PCE) of 21.40% (the control device has a PCE of 20.26%), resulting in a higher open circuit voltage of 40 mV. The 2D perovskite passivation layers lead to a smoother interface and a better contact with the hole transport layer, while transient photoluminescence and transient photovoltage measurements indicated reduced non-radiative recombination. Unencapsulated devices retained almost 90% of their initial PCE after 500 h of exposure under high ambient humidity conditions, confirming that the surface passivation treatment has led to improved device stability.
MATILDA.FT: A mesoscale simulation package for inhomogeneous soft matter
Authors: Jedlinska Zuzanna M. , Tabedzki Christian , Gillespie Colin , Hess Nathaniel , Yang Anita , Riggleman Robert A.
Published: July 2023

In this paper, we announce the public release of a massively parallel, graphics processing unit (GPU)-accelerated software, which is the first to combine both coarse-grained particle simulations and field-theoretic simulations in one simulation package. MATILDA.FT (Mesoscale, Accelerated, Theoretically Informed, Langevin, Dissipative particle dynamics, and Field Theory) was designed from the ground-up to run on CUDA-enabled GPUs with Thrust library acceleration, enabling it to harness the possibility of massive parallelism to efficiently simulate systems on a mesoscopic scale. It has been used to model a variety of systems, from polymer solutions and nanoparticle-polymer interfaces to coarse-grained peptide models and liquid crystals. MATILDA.FT is written in CUDA/C++ and is object oriented, making its source-code easy to understand and extend. Here, we present an overview of the currently available features, and the logic of parallel algorithms and methods. We provide the necessary theoretical background and present examples of systems simulated using MATILDA.FT as the simulation engine. The source code, along with the documentation, additional tools, and examples, can be found on the GitHub MATILDA.FT repository.
Unified non-equilibrium simulation methodology for flow through nanoporous carbon membrane
Authors: Monet Geoffrey , Bocquet Marie-Laure , Bocquet Lydéric
Published: July 2023

The emergence of new nanoporous materials, based, e.g., on 2D materials, offers new avenues for water filtration and energy. There is, accordingly, a need to investigate the molecular mechanisms at the root of the advanced performances of these systems in terms of nanofluidic and ionic transport. In this work, we introduce a novel unified methodology for Non-Equilibrium classical Molecular Dynamic simulations (NEMD), allowing to apply likewise pressure, chemical potential, and voltage drops across nanoporous membranes and quantifying the resulting observables characterizing confined liquid transport under such external stimuli. We apply the NEMD methodology to study a new type of synthetic Carbon NanoMembranes (CNM), which have recently shown outstanding performances for desalination, keeping high water permeability while maintaining full salt rejection. The high water permeance of CNM, as measured experimentally, is shown to originate in prominent entrance effects associated with negligible friction inside the nanopore. Beyond, our methodology allows us to fully calculate the symmetric transport matrix and the cross-phenomena, such as electro-osmosis, diffusio-osmosis, and streaming currents. In particular, we predict a large diffusio-osmotic current across the CNM pore under a concentration gradient, despite the absence of surface charges. This suggests that CNMs are outstanding candidates as alternative, scalable membranes for osmotic energy harvesting.
Giant exchange bias in the nanostructured MnAl thin ribbons
Authors: Ma Xiaobai , Yang Wenyun , Zhao Hui , Yang Shuai , Yun Chao , Luo Zhaochu , Liu Shunquan , Han Jingzhi , Du Honglin , Xu Qing , Wang Changsheng , Sun Kai , Chen Dongfeng , Yang Jinbo
Published: July 2023

In this study, Mn54Al46 thin ribbons composed of nanostructured ferromagnetic and antiferromagnetic phases were fabricated by a melt spinning method, and a tunable exchange bias field was obtained by precisely controlling the wheel speed and the cooling field. The x-ray diffraction result confirms the existence of the nanostructured Mn-poor ε phase. The pinned ferromagnetic Mn-poor ε phase coupled with the antiferromagnetic Mn-rich ε phase accounts for the exchange bias observed in the sample fabricated at a wheel speed of 65 m/s in which almost no τ phase is formed. Furthermore, the exchange bias field first increases and reaches the most significant reported value of 41 kOe in this system and then decreases with the increase in the cooling field, exhibiting an inversely proportional relationship with the magnetization. The decrease in the exchange bias field is believed to be related to the increased coupling thickness of the ferromagnetic phases with the increase in the cooling field.
A self-aligned Ga2O3 heterojunction barrier Schottky power diode
Authors: Hu T. C. , Wang Z. P. , Sun N. , Gong H. H. , Yu X. X. , Ren F. F. , Yang Y. , Gu S. L. , Zheng Y. D. , Zhang R. , Ye J. D.
Published: July 2023

We report an alignment-free gallium oxide (Ga2O3) heterojunction barrier Schottky (HJBS) power diode, which utilizes the self-assembled Ni nanostructures as in situ masks for the trench etching of Ga2O3 and the subsequent selective-area filling of p-type NiO. By increasing the trench depth to 200 nm, the relevant HJBS diode exhibits improved reverse blocking capabilities including the reduced leakage current density of 10−8 A/cm2 (at a reverse bias of 100 V) and the enhanced breakdown voltage of 748 V, while maintaining the forward biasing characteristics similar to the Schottky barrier diode (SBD). The variation of turn-on voltage and the reverse breakdown features indicate the conversion of the HJBS diodes characteristics from Ni/Ga2O3 SBD to the NiO/Ga2O3 p-n heterojunction diode. The electrical field simulations and experimental facts imply that the remarkable lateral pinch-off effect in the 200-nm trenched diodes shields the electric field in the depletion region underneath the Ni/Ga2O3 Schottky contact. This work provides a straightforward strategy to simplify the fabrication process of Ga2O3-based HJBS diodes with both promising forward and reverse performances.
Investigating horizontal-axis wind turbine aerodynamics using cascade flows
Authors: Golmirzaee Narges , Wood David
Published: July 2023

The simplest aerodynamic model of horizontal-axis wind turbines is the blade element momentum theory, which assumes that the blades behave as airfoils, but a correct two-dimensional representation is an infinite cascade of lifting bodies. This study analyzes the conventional and impulse forms of the forces on cascades of airfoils at spacings and pitch angles typical of wind turbine applications. OpenFOAM software was used to simulate steady, incompressible flow at a Reynolds number of 6×106 through cascades of NACA 0012 airfoils. The force equations agree well (less than 1% error) with the forces determined directly from OpenFOAM for four spacing ratios. We concentrate on the “wake vorticity” term, which is ignored in blade element momentum analysis. At a pitch angle of 90°, this term balances the viscous drag when the angle of attack is zero. At zero pitch, which models the outer region of a wind turbine blade at a high tip speed ratio, the term can account for 27% of the axial thrust when the angle of attack is about 4°. The normal force equation, like the angular momentum equation for wind turbines, has no viscous term, which forces the body drag to contribute to the circulation in the wake. It is shown that the airfoil assumption is conservative in that cascade elements have higher lift-to-drag ratios than airfoils at the same angle of attack. An associated result is that separation occurs at higher angles of attack on a cascade element compared to an airfoil.
Gyrokinetic simulations of neoclassical electron transport and bootstrap current generation in tokamak plasmas in the TRIMEG code
Authors: Rekhviashvili Lana , Lu Zhixin , Hoelzl Matthias , Bergmann Andreas , Lauber Philipp
Published: July 2023

For magnetic confinement fusion in tokamak plasmas, some of the limitations to the particle and energy confinement times are caused by turbulence and collisions between particles in toroidal geometry, which determine the “anomalous” and the neoclassical transport, respectively. Neoclassical effects are also responsible for the intrinsically generated bootstrap current, and only the self-consistent modeling of neoclassical and turbulent processes can ultimately give accurate predictive results. In this work, we focus on the implementation of neoclassical physics in the gyrokinetic code TRIMEG, which is a TRIangular MEsh-based Gyrokinetic code that can handle both the closed and open field line geometries of a divertor tokamak. We report on the implementation of a simplified Lorentz collision operator in TRIMEG. For comparison with neoclassical theory, the calculation of flux surface averages is necessary. Since the code uses an unstructured mesh, a procedure for calculating the flux surface averages of particle and energy fluxes and the bootstrap current is derived without relying on the poloidal coordinate, which is useful also for other simulations in unstructured meshes. With the newly implemented collision operator, we study electron transport and bootstrap current generation in a plasma with a finite density gradient but uniform temperature for various simplified and realistic geometries. Compared with neoclassical theory, good agreement is obtained for the large aspect ratio case regarding the particle and energy fluxes as well as the bootstrap current. However, some discrepancies are observed at moderate aspect ratio and for a case with the realistic geometry of the ASDEX Upgrade tokamak. These deviations can be explained by different treatments and approximations in theory and simulation. In this paper, we demonstrate the capability to calculate the electron transport and bootstrap current generation in TRIMEG, which will allow for the self-consistent inclusion of neoclassical effects in gyrokinetic simulations in the future.
Hexagonal higher-symmetric dielectric periodic structures for planar graded-index lenses
Authors: Yang Shiyi , Zetterstrom Oskar , Xue Zhenghui , Mesa Francisco , Quevedo-Teruel Oscar
Published: July 2023

We investigate dispersion properties of a hexagonal dielectric periodic structure that can be used to engineer dielectric graded-index lenses. The connection between the geometry of the hexagonal periodic structure and its symmetries is explained. Furthermore, we demonstrate that a hexagonal structure with increased symmetry is more isotropic than its conventional counterpart. To validate our analysis, we designed, manufactured, and measured a planar Luneburg lens antenna. The antenna has a neat fan-shaped beam from 23 to 31 GHz. The results validate the broadband operation of the periodic structure and could be of interest for the design of cost-effective antennas.
Lateral nanoscale field emission comb for frequency mixing
Authors: De Rose L. B. , Jones W. M. , Scherer A.
Published: July 2023

Nanoscale field emission devices are promising candidates to design high-frequency electronics due to the lack of scattering in the vacuum channel that enables ballistic transport. In-plane devices are relatively easy to fabricate with current fabrication techniques and offer sub-fF capacitance. In this work, the characteristics of lateral gold multi-tip field emission arrays are studied. Vacuum gaps between the electrodes of 30 nm are fabricated, which allow < 10 V operation. The effect of number of emitting tips on measured current is investigated. By taking advantage of the strong non-linearity in the emission characteristic, frequency mixing in the MHz range is also demonstrated.
Self-passivated freestanding superconducting oxide film for flexible electronics
Authors: Jia Zhuoyue , Tang Chi Sin , Wu Jing , Li Changjian , Xu Wanting , Wu Kairong , Zhou Difan , Yang Ping , Zeng Shengwei , Zeng Zhigang , Zhang Dengsong , Ariando Ariando , Breese Mark B. H. , Cai Chuanbing , Yin Xinmao
Published: July 2023

The integration of high-temperature superconducting YBa2Cu3O6+x (YBCO) into flexible electronic devices has the potential to revolutionize the technology industry. The effective preparation of high-quality flexible YBCO films therefore plays a key role in this development. We present a novel approach for transferring water-sensitive YBCO films onto flexible substrates without any buffer layer. Freestanding YBCO film on a polydimethylsiloxane substrate is extracted by etching the Sr3Al2O6 sacrificial layer from the LaAlO3 substrate. In addition to the obtained freestanding YBCO thin film having a Tc of 89.1 K, the freestanding YBCO thin films under inward and outward bending conditions have Tc of 89.6 and 88.9 K, respectively. A comprehensive characterization involving multiple experimental techniques, including high-resolution transmission electron microscopy, scanning electron microscopy, Raman, and x-ray absorption spectroscopy, is conducted to investigate the morphology, structural, and electronic properties of the YBCO film before and after the extraction process where it shows the preservation of the structural and superconductive properties of the freestanding YBCO virtually in its pristine state. Further investigation reveals the formation of a YBCO passivated layer serves as a protective layer that effectively preserves the inner section of the freestanding YBCO during the etching process. This work plays a key role in actualizing the fabrication of flexible oxide thin films and opens up new possibilities for a diverse range of device applications involving thin-films and low-dimensional materials.
Bandgap engineering and photodetector applications in Bi(I1-xBrx)3 single crystals
Authors: Li Dan , Xu Zhongfei , Yang Ming , Zhong Jingyuan , Hao Weichang , Du Yi , Zhuang Jincheng
Published: July 2023

Exploration of low-dimensional semiconductors with tunable band structures is of particular interest in the applications of nano-electronics and optoelectronics. In this work, Bi(I1−xBrx)3 single crystals have been synthesized by a flux-improved physical vapor transport method, where the electronic bandgaps of these single crystals are effectively modulated by the concentration of the halide elements ratios. The first-principle calculations confirm the modulation of bandgap and reveal the orbit contributions for the conduction band minimum and valence band maximum. The properties of Bi(I1-xBrx)3-based photodetectors are measured, where a competition mechanism is identified, leading to the realization of best performance sample with a Br content of 0.18. Our results provide a route to improve the performance of BiI3-based photodetectors and to achieve controllable response spectra.
Integral back-stepping active disturbance rejection control for piezoelectric stick-slip drive nanopositioning stage
Authors: Liu Keping , Yu Shuai , Zhang Zhenguo , Fan Piao , Cheng Tinghai , Lu Xiaohui
Published: July 2023

Piezoelectric stick-slip driven nanopositioning stage (PSSNS) with nanometer resolution has been widely used in the field of micro-operation. However, it is difficult to achieve nanopositioning over large travel, and its positioning accuracy is affected by the hysteresis characteristics of the piezoelectric elements, external uncertain disturbances, and other nonlinear factors. To overcome the above-mentioned problems, a composite control strategy combining stepping mode and scanning mode is proposed in this paper, and an integral back-stepping linear active disturbance rejection control (IB-LADRC) strategy is proposed in the scanning mode control phase. First, the transfer function model of the system in the micromotion part was established, and then the unmodeled part of the system and the external disturbance were treated as the total disturbance and extended to a new system state variable. Second, a linear extended state observer was used as the core of the active disturbance rejection technique to estimate displacement, velocity, and total disturbance in real time. In addition, by introducing virtual control variables, a new control law was designed to replace the original linear control law and improve the positioning accuracy and robustness of the system. Furthermore, the effectiveness of the IB-LADRC algorithm was verified by simulation comparison experiments and experimentally validated on a PSSNS. Finally, experimental results show that the IB-LADRC is a practical solution for a controller capable of handling disturbances during the positioning of a PSSNS with a positioning accuracy of less than 20 nm, which essentially remains constant under load.
A tunable leaky integrate-and-fire neuron based on one neuromorphic transistor and one memristor
Authors: Mao Huiwu , Zhu Yixin , Ke Shuo , Zhu Ying , Shi Kailu , Wang Xiangjing , Wan Changjin , Wan Qing
Published: July 2023

Artificial leaky integrate-and-fire (LIF) neurons have attracted significant attention for building brain-like computing and neuromorphic systems. However, previous artificial LIF neurons have primarily focused on implementing integrate-and-fire function, and the function of dendritic modulation has rarely been reported. In this Letter, a tunable artificial LIF neuron based on an IGZO electric-double-layer (EDL) transistor and a TaOx memristor is fabricated, and dendritic modulation is investigated. An IGZO-based EDL transistor with a modulatory terminal is used to realize dendritic nonlinear integration and filtering capability, as well as the tunable neural excitability. An Ag/TaOx/ITO threshold switching memristor mimics the all-or-nothing spiking and threshold switching of the soma. By incorporating these two components in a customized way, such artificial LIF neuron can emulate the key function of biological neuron with rich computational flexibility. Our artificial LIF neurons with rich nonlinear dynamics have great potential to perform more complex tasks in future spiking neuromorphic systems.
Consistent third-order one-particle transition and excited-state properties within the algebraic-diagrammatic construction scheme for the polarization propagator
Authors: Maier Rouven , Bauer Marco , Dreuw Andreas
Published: July 2023

The intermediate state representation (ISR) formalism allows for the straightforward calculation of excited state properties and state-to-state transition moments using the algebraic-diagrammatic construction (ADC) scheme for the polarization propagator. Here, the derivation and implementation of the ISR in third-order perturbation theory for the one-particle operator are presented, enabling, for the first time, the calculation of consistent third-order ADC [ADC(3)] properties. The accuracy of ADC(3) properties is evaluated with respect to high-level reference data and compared to the previously used ADC(2) and ADC(3/2) schemes. Oscillator strengths and excited state dipole moments are computed, and typical response properties are considered: dipole polarizabilities, first-order hyperpolarizabilities, and two-photon absorption strengths. The consistent third-order treatment of the ISR leads to an accuracy similar to that of the mixed-order ADC(3/2) method; the individual performance, however, depends on the property and molecule under investigation. ADC(3) produces slightly improved results in the case of oscillator strengths and two-photon absorption strengths, while excited state dipole moments, dipole polarizabilities, and first-order hyperpolarizabilities exhibit similar accuracy at ADC(3) and ADC(3/2) levels. Taking the significant increase of central processing unit time and memory requirements of the consistent ADC(3) approach into account, the mixed-order ADC(3/2) scheme offers a better compromise between accuracy and efficiency for the properties considered.
Helical dichroism in enantiomeric solutions
Authors: Jain Ashish , Bégin Jean-Luc , Bhardwaj Ravi
Published: July 2023

A novel chiroptical sensing technique was recently introduced that utilized the helical phase of the structured light as a chiral reagent instead of polarization of light to differentiate enantiopure chiral liquids. The unique advantage of this non-resonant, nonlinear technique is that the chiral signal can be scaled and tuned. In this paper, we extend this technique to enantiopure powders of alanine and camphor by dissolving them in solvents of varying concentrations. We show the differential absorbance of helical light to be an order of magnitude higher relative to conventional resonant linear techniques and is comparable to nonlinear techniques that use circularly polarized light. The origin of helicity dependent absorption is discussed in terms of induced multipole moments in nonlinear light–matter interaction. These results opens up new opportunities in using helical light as a primary chiral reagent in nonlinear spectroscopic techniques.
Effect of the transverse magnetic field on the Kelvin–Helmholtz instability of the supersonic mixing layer
Authors: Shi Qi-Chen , Zhang Huan-Hao , Zhao Zhi-Jie , Chen Zhi-Hua , Zheng Chun
Published: July 2023

The Kelvin–Helmholtz instability (KHI) stems from the velocity shear in a single continuous fluid or a velocity difference across the interface between two distinct fluids. The effect of the transverse magnetic field on the KHI of the supersonic mixing layer is investigated by numerical method. An algorithm with corner-transport-upwind and constrained-transport is used to solve the equations of magnetohydrodynamic (MHD). The evolutions of vorticity, pressure, and shock-vortex structure of the supersonic mixing layer with and without the magnetic field are studied qualitatively and quantitively. The suppression mechanism of the transverse magnetic field on the KHI is analyzed from the aspects of magnetic pressure and magnetic tension, respectively. The results show that the transverse magnetic field has a significant influence on the evolution of shock-vortex structure in the supersonic mixing layer. The magnetic pressure makes the vorticity deposition at the shear layer, and the magnetic tension produces an anti-bending torque on the shear layer. Under these two kinds of effects, the instability of the shear layer is suppressed effectively, and a long-standing banded structure of the shear layer is formed and teared later, which results in a “fishhook-like” structure occurred. Moreover, the transverse magnetic field inhibits the formation of the high-convection Mach value (Mc) regions, which effectively inhibits the formation of shocklets. In addition, with the effect of the magnetic field, a premature laminar-turbulent transition is stimulated at the core region of the vortex structure.
Nonlocal suppression of Biermann battery magnetic-field generation for arbitrary atomic numbers and magnetization
Authors: Davies J. R.
Published: July 2023

The Biermann battery term of magnetohydrodynamics (MHD) generates a magnetic field where electron density gradients and electron temperature gradients are perpendicular to one another. Kinetic simulations and experiments have shown that the rate of magnetic-field generation is lower than Biermann when the electron mean free path becomes comparable to or greater than the temperature gradient scale length, known as the nonlocal regime. We investigate the nonlocal suppression of the Biermann term using simplified Fokker–Planck simulations covering a wide range of parameters. We provide the first fit for nonlocal Biermann suppression that has physically accurate behavior for small and large values of a suitable nonlocality parameter, valid for an arbitrary atomic number, and that includes the effect of magnetization on nonlocality. The fit is intended to provide an approximate method to account for reduced magnetic-field generation in MHD codes and theory.
Phase patterning in multi-stable metamaterials: Transition wave stabilization and mode conversion
Authors: Wang Chongan , Frazier Michael J.
Published: July 2023

This Letter proposes a design strategy leveraging tunable structural defects in multi-stable mechanical metamaterials for manipulating the propagation of the supported transition waves toward the endowment of a multi-phase patterning capability. The defect reversibly adjusts the on-site potential in order to affect the motion of the transition waves which traverse it, either prohibiting wave transmission (i.e., stabilization) or permitting transmission of specific modes, possibly converting one mode into another. Thus, the defect is able to control the occurrence and distribution of the structural phases and realize the desired phase patterns. Although the metamaterial model for our analytical and numerical study is a one-dimensional (1D) architecture comprising tri-stable elements, the proposed method is shown to apply to 2D architectures and is amenable to elements possessing more than three stable states, demonstrating greater flexibility in metamaterial design than current approaches. The proposed method expands the configuration space of phase-transforming metamaterials, which contributes to efforts aimed at re-programmable mechanical/dynamic performance.