bluuebunny/crossref_metadata_2025 huggingface dataset:
Understanding congestion propagation by combining percolation theory with the macroscopic fundamental diagram
Authors: Ambühl Lukas , Menendez Monica , González Marta C.
Published: February 2023

The science of cities aims to model urban phenomena as aggregate properties that are functions of a system’s variables. Following this line of research, this study seeks to combine two well-known approaches in network and transportation science: (i) The macroscopic fundamental diagram (MFD), which examines the characteristics of urban traffic flow at the network level, including the relationship between flow, density, and speed. (ii) Percolation theory, which investigates the topological and dynamical aspects of complex networks, including traffic networks. Combining these two approaches, we find that the maximum number of congested clusters and the maximum MFD flow occur at the same moment, precluding network percolation (i.e. traffic collapse). These insights describe the transition of the average network flow from the uncongested phase to the congested phase in parallel with the percolation transition from sporadic congested links to a large, congested cluster of links. These results can help to better understand network resilience and the mechanisms behind the propagation of traffic congestion and the resulting traffic collapse.
The Chemical Story of Olive Oil: From Grove to Table
Authors: Blatchly Richard , Delen Zeynep , O'Hara Patricia
Published: February 2023

Despite the growing interest in olive oil, most people know very little about what it is or how it is made. This book provides a comprehensive treatment of olive oil from the tree to table, from a molecular and personal perspective.

Growers often do not know what is happening at a molecular level or why certain practices produce superior or inferior results, for example, why adjusting a temperature rewards them with winning oils. This book aims to provide some of the answers as well as the importance of the chemicals responsible for the flavour and health effects. Readers will also get a deeper understanding of what makes an extra virgin olive oil authentic and how scientists are helping to fight fraud regarding this valuable commodity.

Including anecdotes from growers of olives and producers of oils, the authors provide an accessible text for a wide audience from food science students to readers interested in the human story of olive oil production.
Archaeological Chemistry
Authors: Pollard A Mark , Heron Carl , Armitage Ruth Ann
Published: February 2023

The use of chemistry in archaeology can help archaeologists answer questions about the nature and origin of the many organic and inorganic finds recovered through excavation, providing valuable information about the social history of humankind. This textbook tackles the fundamental issues in chemical studies of archaeological materials. Examining the most widely used analytical techniques in archaeology, the third edition of this comprehensive textbook features a new chapter on proteomics, capturing significant developments in protein recognition for dating and characterisation. The textbook has been updated to encompass the latest developments in the field. The textbook explores several archaeological investigations in which chemistry has been employed in tracing the origins of or in studying artefacts, and includes chapters on obsidian, ceramics, glass, metals and resins. It is an essential companion to students in archaeological science and chemistry, as well as to archaeologists, and those involved in conserving human artefacts.
Converting an amorphous covalent organic polymer to a crystalline covalent organic framework mediated by a repairing agent
Authors: Han Xiang-Hao , Liang Rong-Ran , Zhou Zhi-Bei , Qi Qiao-Yan , Zhao Xin
Published: February 2023

This study demonstrates that monofunctional molecules can work as repairing agents to promote conversion from amorphous cross-linked polymers to crystalline covalent organic frameworks (COFs), which could be a new method for the construction of COFs.
Light inhibition of hydrogenation reactions on Au–Pd nanocoronals as plasmonic switcher in catalysis
Authors: Zhang Cancan , Li Yonglong , Hu Yanfang , Du Xiaomeng , Zhu Aonan , Hu Cejun , Fan Chenghao , Xie Wei
Published: February 2023

Finding of light inhibition of hydrogenation reactions and the development of a plasmonic switcher for reaction control, performed through interfacial electron transfer in a hybrid nanoparticle reversed by the plasmonic effect.
Cs[B3O3F2(OH)2]: discovery of a hydroxyfluorooxoborate guided by selective organic–inorganic transformation
Authors: Chen Ziqi , Li Fuming , Han Jian , Yang Zhihua , Pan Shilie , Mutailipu Miriding
Published: February 2023

Herein, we demonstrated that selective organic–inorganic transformation is a simple but effective strategy to find new hydroxyfluorooxoborates. With this, Cs[B3O3F2(OH)2] with three-membered [B3O3F2(OH)2] clusters was synthesized.
Visible-light-induced reactions of methylenecyclopropanes (MCPs)
Authors: Wei Hao-Zhao , Shi Min , Wei Yin
Published: February 2023

We describe recent achievements in the visible-light-induced chemical transformations of methylenecyclopropanes (MCPs), including ring-opening reactions, cyclopropane-producing reactions, and ring-opening reactions via a non-classical radical clock.
Dynamics in the ordered and disordered phases of barocaloric adamantane
Authors: Meijer Bernet E. , Dixey Richard J. C. , Demmel Franz , Perry Robin , Walker Helen C. , Phillips Anthony E.
Published: February 2023

The archetypal plastic crystal adamantane has ideal properties for low-temperature barocaloric cooling. Its large entropy change is explained in terms of differences between the molecular dynamics in the ordered and disordered phases.
A rational design of functional porous frameworks for electrocatalytic CO2reduction reaction
Authors: Wang Changli , Lv Zunhang , Yang Wenxiu , Feng Xiao , Wang Bo
Published: February 2023

Rational design of functional porous frameworks for electrocatalytic CO2reduction reaction.
Dual stimuli-responsive phosphorescence of a Pb(ii) coordination polymer to acidic vapors and thermal treatment
Authors: Tunsrichon Sujitra , Chainok Kittipong , Promarak Vinich , Arunlimsawat Suangsiri , Youngme Sujittra , Boonmak Jaursup
Published: February 2023

A phosphorescent Pb(ii) coordination polymer containing heteroatomic and aqua ligands undergoes naked-eye color change under UV light after responding selectively to HCl and HCOOH vapors, and heat.
Charge and mass transport mechanisms in two-dimensional covalent organic frameworks (2D COFs) for electrochemical energy storage devices
Authors: Zhang Hanyin , Geng Yubo , Huang Jin , Wang Zixiao , Du Kun , Li Haoyuan
Published: February 2023

Understanding charge- and mass-transport processes in two-dimensional covalent organic frameworks to design better materials and energy storage devices.
A conformally bonded molecular interface retarded iodine migration for durable perovskite solar cells
Authors: Yuan Ligang , Zhu Weiya , Zhang Yiheng , Li Yuan , Chan Christopher C. S. , Qin Minchao , Qiu Jianhang , Zhang Kaicheng , Huang Jiaxing , Wang Jiarong , Luo Huiming , Zhang Zheng , Chen Ruipeng , Liang Weixuan , Wei Qi , Wong Kam Sing , Lu Xinhui , Li Ning , Brabec Christoph J. , Ding Liming , Yan Keyou
Published: February 2023

A molecular hole transport material retards the iodine migration and delivers high stability in a harsh 85 °C MPP test.
Increasing reductive Fe(ii)/Co(ii) sites on P-doped FeCo2O4−x nanosheets to accelerate the valence cycle for the electroanalysis of As(iii)
Authors: Yang Yuan-Fan , Huang Hong-Qi , Song Zong-Yin , Li Hui-Quan , Yu Xin-Yu , Cui Yu-Min , Yang Meng , Chen Shi-Hua , Huang Xing-Jiu
Published: February 2023

Superior catalytic activity toward As(iii) for P FeCo2O4−x/GCE with increasing reductive Fe(ii)/Co(ii) sites.
Urban stormwater sediment risk assessment from drainage structures in Bogotá, Colombia
Authors: Pimiento María Alejandra , Duque Verónica , Torres Andres
Published: February 2023

Urban stormwater sediments are associated with non-point source pollution that poses risks to the environment and human health.
Automated study on kinetics and biosensing of glow-type luminescence reaction via digital microfluidics–chemiluminescence
Authors: Yang Bing , Shi Lu , Tang Qiaorong , Liu Wei , Li Baoxin , Yang Chaoyong , Jin Yan
Published: February 2023

Automated manipulation of discrete droplets by digital microfluidics (DMF) combined with chemiluminescence (CL) is promising to achieve automated and sensitive biosensing and bioanalysis.
Some interesting insights into the acetone sensing characteristics of monoclinic WO3
Authors: Ghosh Puja , Manikandan M. , Sen Shrabanee , Devi Parukuttyamma Sujatha
Published: February 2023

Considering the importance of tungsten oxide (WO3) in fabricating acetone sensors for the non-invasive diagnosis of diabetes, we have tried to understand the sensing behaviour of this interesting material in detail.
Vertical 0.6 V sub-10 nm oxide-homojunction transistor gated by a silk fibroin/sodium alginate crosslinking hydrogel for pain-sensitization enhancement emulation
Authors: Su Jingya , Li Yanran , Xie Dingdong , Jiang Jie
Published: February 2023

Ultralow-voltage ultrashort-channel vertical transistor with strong pain sensitization abilities is demonstrated based on a silk fibroin/sodium alginate crosslinking hydrogel.
Efficient electroreduction of CO2to syngas over ZIF-8 derived oxygen vacancy-rich ZnO nanomaterials
Authors: Yang Jie , Wang Hui , Yang Han , Dong Weiwei , Gao Mingqi , Zhou Guangying , Tian Haiying , Zhang Renjie , Wan Jiqiang , Yang Dexin
Published: February 2023

The oxygen vacancy-rich ZnO nanomaterials derived from ZIF-8 nanostructures exhibit good performance for CO2electroreduction to syngas with the CO/H2ratio changing from 1/3 to 8.5/1.
Controlling magnetoelectric coupling effect of CoFe2O4–Ba0.8Sr0.2TiO3 multiferroic fluids by viscosity
Authors: Wu Heng , Zhang Yulin , Ao Hong , Zhong Siqi , Zeng Zhixin , Li Wenchuan , Gao Rongli , Fu Chunlin , Chen Gang , Deng Xiaoling , Wang Zhenhua , Lei Xiang , Cai Wei
Published: February 2023

The multiferroic fluids has an obvious magnetodielectric effects, and presents large magnetoelectric coupling coefficient of 89.8 V (cm Oe)−1.
AuNP/Cu-TCPP(Fe) metal–organic framework nanofilm: a paper-based electrochemical sensor for non-invasive detection of lactate in sweat
Authors: Ji Guangna , Zhu Wenyan , Jia Xuexia , Ji Shuaifeng , Han Dianpeng , Gao Zhixian , Liu Hui , Wang Yu , Han Tie
Published: February 2023

Effective and real-time detection of lactate (LA) content in human sweat has attracted considerable attention from researchers.
Magnetic-field-dependent spin properties of divacancy defects in silicon carbide
Authors: Yan Fei-Fei , Wang Jun-Feng , He Zhen-Xuan , Li Qiang , Lin Wu-Xi , Zhou Ji-Yang , Xu Jin-Shi , Li Chuan-Feng , Guo Guang-Can
Published: February 2023

We investigate the optically detected magnetic resonance (ODMR) spectra and coherence times of divacancy spins in silicon carbide with a magnetic field orientation. Both the ODMR contrast and coherence time decrease with the magnetic field angle.
Improving anion-exchange efficiency and spectrum stability of perovskite quantum dots via an Al3+ bonding-doping synergistic effect
Authors: Yang Linxiang , Shan Qingsong , Zhang Shuai , Zhou Yihui , Li Yan , Zou Yousheng , Zeng Haibo
Published: February 2023

We report an Al3+ bonding-doping synergistic strategy by anion exchange for stable deep-blue perovskite QD and QLED. The QD exhibits superior stability against moisture and electric field, the spectrum-stable QLED achieves an EQE of 1.38% at 463 nm.
Terpenes as natural building blocks for the synthesis of hierarchically porous polymers: bio-based polyHIPEs with high surface areas
Authors: Kramer Stanko , Skušek Nika , Krajnc Peter
Published: February 2023

Terpenes, namely limonene, carvone and myrcene were polymerized with multifunctional actylates within high internal phase emulsions to yield bio based macroporous monolithic polymers-polyHIPEs.
Co-doped MnO2 with abundant oxygen vacancies as a cathode for superior aqueous magnesium ion storage
Authors: Xu Liming , Pan Guodong , Yu Caiyan , Li Jiabao , Gong Zhiwei , Lu Ting , Pan Likun
Published: February 2023

Co-doped manganese dioxide was fabricated for an aqueous magnesium ion hybrid supercapacitor, showing excellent energy density and long-term cycle life.
CaIn2S4–In2O3hybrid nanofibers with expedited photocarrier separation for fast photocatalytic bacterial inactivation under visible light
Authors: Wang Lina , Wan Zhiping , Xu Xiaoxiang , Qian Jun
Published: February 2023

CaIn2S4–In2O3hybrid fibers deliver exceptionally high photocatalytic activity for bacterial inactivation due to a strong interplay between CaIn2S4and In2O3.
Non-fouling flow reactors for nanomaterial synthesis
Authors: Besenhard Maximilian O. , Pal Sayan , Gkogkos Georgios , Gavriilidis Asterios
Published: February 2023

This review provides a holistic description of flow reactor fouling for wet-chemical nanomaterial syntheses. Fouling origins and consequences are discussed together with the variety of flow reactors for its prevention.
A ZIF-8 composite SiO2-enhanced high-performance PEO-based solid-state electrolyte for Li-metal batteries
Authors: Zhang Furong , Jiang Kunpeng , Zhu Guisheng , Xu Huarui , Zhang Xiuyun , Zhao Yunyun , Zhang Yejun , Wang Qiangbin , Pang Pengfei , Yu Aibing
Published: February 2023

Solid-state lithium batteries (SSLBs) are promising energy-storage devices.
Preserving fast ion dynamics while introducing mechanical rigidity in gelatin-based ionogels
Authors: Pabst Florian , Kraus Jennifer , Reynolds Matthew , Mattsson Johan , Blochowicz Thomas
Published: February 2023

Combining light scattering, dielectric spectroscopy and rheology on a gelatin-based ionogel, we demonstrate that microscopic ion transport and dynamics are unaffected by the gel matrix, even though the matrix dominates the mechanical response.
Fabrication of submillimeter-sized spherical self-oscillating gels and control of their isotropic volumetric oscillatory behaviors
Authors: Lee Won Seok , Enomoto Takafumi , Akimoto Aya Mizutani , Yoshida Ryo
Published: February 2023

Here we fabricated millimeter-sized spherical self-oscillating gels by inverse-suspension polymerization. We found a specific relationship between the self-oscillatory behavior (the period and amplitude) and the amount of Ru(bpy)3 in the gel network.
Vinylene carbonate reactivity at lithium metal surface: first-principles insights into the early steps of SEI formation
Authors: Fasulo Francesca , Muñoz-García Ana B. , Massaro Arianna , Crescenzi Orlando , Huang Chen , Pavone Michele
Published: February 2023

Density Functional Embedding Theory (DFET) unveils the mechanism of Vinylene Carbonate (VC) degradation at the Li metal surface.
Search for simple β-AIMIIIO2-type intrinsic ferroelectric semiconductors with simultaneous robust built-in electric field and full-spectrum absorption for superior photocatalysts
Authors: Wang Ruichen , Xu Lanlan , Liu Qingshi , Shi Qiang , Liu Xiaojuan
Published: February 2023

Based on first-principles calculation, four substitutable β-AMO2 IFSs with combined full-spectrum absorption and built-in electric-field properties are obtained through a functionally oriented screening of high-performance photocatalysts.
A robust carbon dot-based antibacterial CDs-PVA film as a wound dressing for antibiosis and wound healing
Authors: Mou Chengjian , Wang Xinyuan , Liu Yanchao , Xie Zhigang , Zheng Min
Published: February 2023

CDs-PVA films were fabricated from PVA and carbon dots (CDs), which have broad-spectrum antimicrobial activity and can significantly promote full-thickness cutaneous wound healing.
Combined effects of the lewis acidity and electric field of proximal redox innocent metal ions on the redox potential of vanadyl Schiff base complexes: an experimental and theoretical study
Authors: Bhunia Pradip , Gomila Rosa M. , Frontera Antonio , Ghosh Ashutosh
Published: February 2023

Electrostatic potential and 2D vector electric field calculations suggest that not only the Lewis acidity but also the electric field imposed by proximal redox innocent cations has a major role on the shift in the redox potential of V(iv/v) couples.
ortho-C(sp3)–H arylation of aromatic aldehydes using 2-amino-N-methyl-acetamide as a L,L-type transient directing group
Authors: Wang Jinyuan , Liu Yunzhi , Han Nan , Gao Yuan , Luo Jun
Published: February 2023

Pd-catalyzed ortho-C(sp3)–H arylation of aromatic aldehydes using 2-amino-N-methyl-acetamide as a simple, efficient and commercially available L,L-type transient directing group (TDG) is reported.
SAE‐CenterNet: Self‐attention enhanced CenterNet for small dense object detection
Authors: Li Yaoshun , Liu Lizhi , Lu Tongwei
Published: February 2023

The existing object detection models have not been sufficiently optimized for small dense objects. One of the most common solutions is to extract multi‐scale features via feature pyramid network (FPN). However, the information loss of downsampling in multi‐scale feature extraction will seriously affect the detection accuracy. Therefore, a dynamic attention convolution (DAC) for downsampling is developed, which can embed regional information for each single pixel. Besides, an attention fusion module (AFM) is also designed to alleviate the data inconsistency from different layers during multi‐scale feature fusion. Based on these, the proposed model, SAE‐CenterNet, has achieved optimal performance in the mainstream object detection models on the small dense rebar dataset. For example, with 6 FPS decreasing, the , , and of SAE‐CenterNet is 87.3%, 57.6%, 88.6% and 67.2%, respectively, which are 8.0%, 13.5%, 8.3% and 10.4% higher than the baseline CenterNet, respectively.
Sensitivity assessment of a novel earth fault location method with optimally placed distributed measurements for MV networks
Authors: Bach Alexandre , Le Trung Dung , Petit Marc
Published: February 2023

This paper extends the study of a zero‐sequence impedance‐based fault location method (FLM) designed for medium voltage (MV) distribution feeders whose principle has been presented in a previous work Bach et al. This method is able to locate any type of earth fault with any type of neutral grounding inside a convex set of nodes forming the solution area. The total length of the lines inside this area is statistically computable a priori and depends only on the number and location of additional voltage measurements deployed on some remote end secondary substations. To be efficiently applied to the most challenging rural feeders presenting a lot of ramifications, simulations have shown a need for synchronized measurements, such as the ones obtained using phasor measurement units. Besides, this paper addresses the coupling potential of this method with more traditional ones such as Takagi‐based FLMs to enhance the performances of both, solving the multiple estimation problem while potentially locating the fault within one node. Finally, an extensive sensitivity analysis has been carried out, showing a good robustness with respect to impedance estimation errors or fault impedance values while showing the need for synchronization, especially on some remote measurement locations.
A novel 24 GHz circularly polarised metasurface rectenna
Authors: Huang Wei , Du Jinxin , Yang Xue‐Xia , Che Wenquan , Gao Steven
Published: February 2023

A novel 24 GHz circularly polarised metasurface rectenna for wireless power transmission is designed in this study. Based on experimental measurements and retro‐simulation, an effective approach is proposed to extract the parasitic parameters of a Schottky diode. A highly efficient millimetre wave rectifier with a measured efficiency of 63% is constructed based on the exact equivalent circuit parameters of a diode. A circularly polarised metasurface antenna is adopted as the receiving antenna, and the gain is enhanced by introducing metal vias around the metasurface. The antenna and the rectifier are connected directly via a microstrip line. Measurements show that the metasurface antenna has a gain of 11.3 dBic and an axial ratio of 2.5 dB at 24 GHz. The measured conversion efficiency of the rectenna reaches 63% at 300 Ω load when the input power is 15.2 dBm. The rectenna has the advantages of low profile, which can be conformal to the electrical equipment.
A puffy polar planet
Authors: Knudstrup Emil , Albrecht Simon H. , Gandolfi Davide , Marcussen Marcus L. , Goffo Elisa , Serrano Luisa M. , Dai Fei , Redfield Seth , Hirano Teruyuki , Csizmadia Szilárd , Cochran William D. , Deeg Hans J. , Fridlund Malcolm , Lam Kristine W. F. , Livingston John H. , Luque Rafael , Narita Norio , Palle Enric , Persson Carina M. , Van Eylen Vincent
Published: February 2023

TOI-640 b is a hot, puffy Jupiter with a mass of 0.57 ± 0.02 MJ and radius of 1.72 ± 0.05 RJ, orbiting a slightly evolved F-type star with a separation of 6.33−0.06+0.07 R⋆. Through spectroscopic in-transit observations made with the HARPS spectrograph, we measured the Rossiter-McLaughlin effect, analysing both in-transit radial velocities and the distortion of the stellar spectral lines. From these observations, we find the host star to have a projected obliquity of λ = 184 ± 3°. From the TESS light curve, we measured the stellar rotation period, allowing us to determine the stellar inclination, i⋆ = 23−2+3°, meaning we are viewing the star pole-on. Combining this with the orbital inclination allowed us to calculate the host star obliquity, ψ = 104 ± 2°. TOI-640 b joins a group of planets orbiting over stellar poles within the range 80°–125°. The origin of this orbital configuration is not well understood.
Cosmic-ray sputtering of interstellar ices in the electronic regime
Authors: Dartois E. , Chabot M. , da Costa C. A. P. , Nguyen T. , Rojas J. , Duprat J. , Augé B. , Domaracka A. , Rothard H. , Boduch P.
Published: February 2023

Aims. With this article, we aim to provide the sputtering yields for molecular species of potential astrophysical interest and in the electronic regime of interaction characteristic of cosmic rays. We specifically target molecules that are constitutive of interstellar ice mantles.

Methods. We used a compendium of existing data on electronic sputtering to calculate the prefactors leading to the generalisation of the stopping-power-dependent sputtering yield for many species condensing at low temperature. In addition, we present new experimental results to constrain the yield for solid CH4, C6, and CH3CN.

Results. Electronic sputtering is constrained using literature data for H2, HD, D2, Ne, N2, CO, Ar, O2, Kr, Xe, CO2, SO2, NH3, S, H2O, D2O, CH3OH, Leucine, C20H12, C24H12, and C60. A first-order relation with the sublimation enthalpy is derived, which allows us to predict the sputtering yield within an order of magnitude for most species. The fluctuations around the mean are partly assignable to the differences in resilience towards radiolysis for individual species, and partly to the micro-physics details of the energy transfer to the lattice.
Application of a neural network classifier for the generation of clean Small Magellanic Cloud stellar samples
Authors: Jiménez-Arranz Ó. , Romero-Gómez M. , Luri X. , Masana E.
Published: February 2023

Context. Previous attempts to separate Small Magellanic Cloud (SMC) stars from the Milky Way (MW) foreground stars are based only on the proper motions of the stars.

Aims. In this paper, we aim to develop a statistical classification technique to effectively separate the SMC stars from the MW stars using a wider set of Gaia data. We aim to reduce the possible contamination from MW stars compared to previous strategies.

Methods. The new strategy is based on a neural network classifier, applied to the bulk of the Gaia DR3 data. We produce three samples of stars flagged as SMC members, with varying levels of completeness and purity, obtained by application of this classifier. Using different test samples, we validated these classification results and compared them with the results of the selection technique employed in the Gaia Collaboration papers, which was based solely on the proper motions.

Results. The contamination of the MW in each of the three SMC samples is estimated to be in the 10–40% range; the “best case” in this range is obtained for bright stars (G < 16), which belong to the Vlos sub-samples, and the “worst case” for the full SMC sample determined by using very stringent criteria based on StarHorse distances. A further check based on the comparison with a nearby area with uniform sky density indicates that the global contamination in our samples is probably close to the low end of the range, around 10%.

Conclusions. We provide three selections of SMC star samples with different degrees of purity and completeness, for which we estimate a low contamination level and which we have successfully validated using SMC RR Lyrae, SMC Cepheids, and SMC-MW StarHorse samples.
Predicting nonlinear optical scattering with physics-driven neural networks
Authors: Gigli C. , Saba A. , Ayoub A. B. , Psaltis D.
Published: February 2023

Deep neural networks trained on physical losses are emerging as promising surrogates for nonlinear numerical solvers. These tools can predict solutions to Maxwell’s equations and compute gradients of output fields with respect to the material and geometrical properties in millisecond times which makes them attractive for inverse design or inverse scattering applications. Here we develop a tunable version of MaxwellNet with respect to incident power, a physics driven neural network able to compute light scattering from inhomogenous media with a size comparable with the incident wavelength in the presence of the optical Kerr effect. MaxwellNet maps the relation between the refractive index and scattered field through a convolutional neural network. We introduce here extra fully connected layers to dynamically adjust the convolutional kernels to take into account the intensity-dependent refractive index of the material. Finally, we provide an example of how this network can be used for the topology optimization of microlenses that is robust to perturbations due to self-focusing.
Magic squares: Latin, semiclassical, and quantum
Authors: De las Cuevas Gemma , Netzer Tim , Valentiner-Branth Inga
Published: February 2023

Quantum magic squares have recently been introduced as a “magical” combination of quantum measurements. In contrast to quantum measurements, they cannot be purified (i.e., dilated to a quantum permutation matrix)—only the so-called semiclassical ones can. Purifying establishes a relation to an ideal world of fundamental theoretical and practical importance; the opposite of purifying is described by the matrix convex hull. In this paper, we prove that semiclassical magic squares can be purified to quantum Latin squares, which are “magical” combinations of orthonormal bases. Conversely, we prove that the matrix convex hull of quantum Latin squares is larger compared to the semiclassical ones. This tension is resolved by our third result: we prove that the quantum Latin squares that are semiclassical are precisely those constructed from a classical Latin square. Our work sheds light on the internal structure of quantum magic squares, on how this is affected by the matrix convex hull, and, more generally, on the nature of the “magical” composition rule, both at the semiclassical and at the quantum level.
Temperature dependent performance of Schmidt–Boelter heat flux sensors
Authors: Miller Ruth A. , Alpert Hannah S.
Published: February 2023

The total heat flux sensors for NASA’s Mars Entry, Descent, and Landing Instrumentation 2 (MEDLI2) sensor suite on the Mars 2020 vehicle and the Low-Earth Orbit Flight Test of an Inflatable Decelerator (LOFTID) technology demonstration mission are passively cooled Schmidt–Boelter gauges. The output of these sensors has been experimentally demonstrated to be dependent on the temperature of the sensing element. The experimental results are shown to align with a model that assumes temperature-dependent material properties, specifically the Seebeck coefficient. The MEDLI2 and LOFTID flight total heat flux sensors did not undergo a full thermal calibration prior to being installed on the flight vehicles since the temperature dependence was unknown ahead of time. Additionally, the material properties are not known due to the designs being proprietary. For these reasons, an approximate correction factor was derived. The applicability and associated uncertainty of this temperature-dependent correction factor are presented. The error that would be introduced into the measurement if temperature effects were not accounted for would be as high as 9.5% and 16% for the MEDLI2 and LOFTID total heat flux sensors, respectively. As a best practice for future flight missions and ground-based applications that employ similar passively cooled heat flux sensors, it is recommended to individually calibrate each sensor across all applicable use temperatures to account for sensor-to-sensor variations and minimize measurement uncertainty.
Fragmentation of SO2q+ (q = 2–4) induced by 1 keV electron collision
Authors: Chen Lei , Wang Enliang , Zhao Wenchao , Gong Maomao , Shan Xu , Chen Xiangjun
Published: February 2023

We report an investigation on the fragmentation dynamics of SO2q+ (q = 2–4) induced by 1 keV electron collision utilizing an ion momentum imaging spectrometer. Six complete Coulomb explosion channels were observed using the time-of-flight correlation map. The kinetic energy release distributions for these channels were obtained and compared with those available in the literature. The fragmentation mechanisms of the three-body dissociation channels were analyzed by the Dalitz plots and Newton diagrams. Both concerted breakup and sequential fragmentation pathways were identified in the channel SO23+ → O+ + O+ + S+, whereas only the concerted breakup mechanism was confirmed for the channels SO24+ → O+ + O+ + S2+ and SO24+ → O2+ + O+ + S+. Using the Coulomb explosion model, we determined the molecular geometry from the concerted fragmentation channels, and the obtained bond lengths and angles from the higher kinetic energy release peaks are close to that of the neutral SO2 obtained by high-level quantum chemical calculation. The present results indicate that the electron impact experiment is a potential tool for the Coulomb explosion imaging of small molecules.
The advantages of sub-sampling and Inpainting for scanning transmission electron microscopy
Authors: Browning Nigel D. , Castagna Jony , Kirkland Angus I. , Moshtaghpour Amirafshar , Nicholls Daniel , Robinson Alex W. , Wells Jack , Zheng Yalin
Published: February 2023

Images and spectra obtained from aberration corrected scanning transmission electron microscopes (STEM) are now used routinely to quantify the morphology, structure, composition, chemistry, bonding, and optical/electronic properties of nanostructures, interfaces, and defects in many materials/biological systems. However, obtaining quantitative and reproducible atomic resolution observations from some experiments is actually harder with these ground-breaking instrumental capabilities, as the increase in beam current from using the correctors brings with it the potential for electron beam modification of the specimen during image acquisition. This beam effect is even more acute for in situ STEM observations, where the desired outcome being investigated is a result of a series of complicated transients, all of which can be modified in unknown ways by the electron beam. The aim in developing and applying new methods in STEM is, therefore, to focus on more efficient use of the dose that is supplied to the sample and to extract the most information from each image (or set of images). For STEM (and for that matter, all electron/ion/photon scanning systems), one way to achieve this is by sub-sampling the image and using Inpainting algorithms to reconstruct it. By separating final image quality from overall dose in this way and manipulating the dose distribution to be best for the stability of the sample, images can be acquired both faster and with less beam effects. In this paper, the methodology behind sub-sampling and Inpainting is described, and the potential for Inpainting to be applied to novel real time dynamic experiments will be discussed.
Physical Asymptotic-Solution nets: Physics-driven neural networks solve seepage equations as traditional numerical solution behaves
Authors: Shen Luhang , Li Daolun , Zha Wenshu , Zhang Li , Tan Jieqing
Published: February 2023

Deep learning for solving partial differential equations (PDEs) has been a major research hotspot. Various neural network frameworks have been proposed to solve nonlinear PDEs. However, most deep learning-based methods need labeled data, while traditional numerical solutions do not need any labeled data. Aiming at deep learning-based methods behaving as traditional numerical solutions do, this paper proposed an approximation-correction model to solve unsteady compressible seepage equations with sinks without using any labeled data. The model contains two neural networks, one for approximating the asymptotic solution, which is mathematically correct when time tends to 0 and infinity, and the other for correcting the error of the approximation, where the final solution is physically correct by constructing the loss function based on the boundary conditions, PDE, and mass conservation. Numerical experiments show that the proposed method can solve seepage equations with high accuracy without using any labeled data, as conventional numerical solutions do. This is a significant breakthrough for deep learning-based methods to solve PDE.
Convective mass deposition near a topologically singular transition
Authors: Dubrovski Oles , Glouckhovski Robert , Suss Matthew E. , Manor Ofer
Published: February 2023

The leading-edge of a substrate undergoing convective mass deposition is a region of significant local deposition rate compared to the mass deposition at the downstream Leveque concentration boundary layer. The local increase in mass deposition is due to an intrinsic topological transition at the leading edge, a transition that is usually in the chemistry or geometry of the target surface for deposition. We study two leading-edge cases for model convective electrodeposition: a flat and a corner/step transitions between the inert wall and active cathode. We find that mass deposition at the leading-edge is faster than at the boundary layer and is connected to the Pećlet number differently. Its rate is correlated with the transition length and decays downstream to match the deposition rate at the boundary layer.
Investigation of the flow around two tandem rotated square cylinders using the least square moving particle semi-implicit based on the vortex particle method
Authors: Firdaus Al-Faisal , Nguyen Van Luc , Zuhal Lavi Rizki
Published: February 2023

Characteristics of the flow around two rotated square cylinders in tandem arrangements at low Reynolds numbers (Re) and normalized gap spacings (S) were numerically investigated using a newly proposed least squares moving particle semi-implicit based on vortex particle method. The proposed method removes the background grid dependencies from the late vortex particle method and improves the computational cost using multiresolution particles. It is found that the proposed method captures the flow characteristics well. In this study, five vortex wake patterns are revealed at different Re (Re=3−150) and spacing (S=0.5–6.0). The time history and variations of aerodynamics coefficients, such as drag and lift coefficients, root mean square value of lift coefficient, and Strouhal number, alongside vorticity contours, are discussed to clarify each flow pattern's characteristics. A significant increase in aerodynamics coefficients is observed for both cylinders at the critical spacing, which may range from 1.5 to 3.0, depending on the Re. The Strouhal number has an increasing trend past the critical spacing at all selected Re. Meanwhile, the mean drag coefficient of both cylinders remains mostly the same. Conversely, the root mean square value of the lift coefficient of the downstream cylinder has a decreasing trend and, in specific cases, becomes lower than the upstream cylinder.
A hierarchical autoencoder and temporal convolutional neural network reduced-order model for the turbulent wake of a three-dimensional bluff body
Authors: Xia Chao , Wang Mengjia , Fan Yajun , Yang Zhigang , Du Xuzhi
Published: February 2023

We propose a novel reduced-order model and examine its applicability to the complex three-dimensional turbulent wake of a generic square-backed bluff body called the Ahmed body at the Reynolds number ReH = U∞H/ν = 9.2 × 104 (where U∞ is free-stream velocity, H the height of the body, and ν viscosity). Training datasets are obtained by large eddy simulation. The model reduction method consists of two components—a Visual Geometry Group (VGG)-based hierarchical autoencoder (H-VGG-AE) and a temporal convolutional neural network (TCN). The first step is to map the high-dimensional flow attributes into low-dimensional features, namely latent modes, which are employed as the input for the second step. The TCN is then trained to predict the low-dimensional features in a time series. We compare this method with a TCN based on proper orthogonal decomposition (POD), which utilizes time coefficients as the input in the second part. It turns out that the H-VGG-AE has a lower reconstruction error than POD when the number of latent modes is relatively small in the first part. As the number of latent modes increases, POD exceeds in the performance of model reduction. However, the H-VGG-AE-based TCN is still more effective in terms of spatiotemporal predictions because it has a lower prediction error and costs much less time.
Experimental study on flow kinematics of dam-break induced surge impacting onto a vertical wall
Authors: Tan Ting , Ma Yuxiang , Zhang Jie , Niu Xuyang , Chang Kuang-An
Published: February 2023

Tsunami surges are frequently simulated by dam-break flows over dry beds. The purpose of this study is to quantitatively investigate the flow kinematics and turbulent characteristics of a surge impacting onto a vertical wall. To quantify the flow kinematics, the particle image velocimetry technique was used in the non-aerated region, while the bubble image velocimetry technique was employed to measure the impact-induced turbulent flow with air entrainment. The measured velocity fields of the impact-induced splash confirmed the feasibility of Ko and Yeh's [Coastal Eng. 131, 1–11 (2018)] model employing a solid-body motion assumption of splash that estimates the impact force by bores and surges at the initial impact stage. Velocity fields and streamlines revealed that the main water body overturned backward and formed a large two-phase vortex, while a small counter rotating vortex was also formed at the corner of the wall-bed junction. The mean velocity magnitude of the small corner vortex is about two-thirds that of the main water body. The mean turbulent intensity of these aerated regions is about 3.4 times that of the non-aerated regions. Based on a wavelet transform-based method, the result reveals that the mean turbulence length scale of the aerated region is about two-thirds that of the non-aerated region. This study reveals for the first time the quantitative flow field results of the surge impact process, which deepen insight of tsunami risk in coastal engineering, thus improving the accuracy of post-damage prediction in coastal areas.
Unrelaxed tensile stress impacts on the instability of viscoelastic sheets with the gas velocity oscillation
Authors: Liu Luhao , Yao Muwei , Dong Ruoyu , Qian Lijuan , Fu Qingfei
Published: February 2023

A temporal instability analysis of a viscoelastic liquid sheet with unrelaxed tensile stresses in the oscillation gaseous flow field has been studied with the Floquet method in the present research. Effects of the oscillated amplitude and frequency of incoming gaseous flow on the instability features in the different instability regions are analyzed systematically. Results reveal that the unrelaxed tensile stress has a positive effect on stabilizing the liquid sheet, while the higher oscillation amplitude would promote the sheet breakup. Besides, it is indicated that when the stress tensor would be controlled by the viscoelastic effects, elastic impacts would suppress the breakup, while it shows an opposite impact when the stress tensor is dominated by the tensile stress. The existence of parametric instability regions is influenced by the oscillated and elastic parameters as well.
Ponderomotive recoil for electromagnetic waves
Authors: Ochs Ian E. , Fisch Nathaniel J.
Published: February 2023

When waves damp or amplify on resonant particles in a plasma, nonresonant particles experience a recoil force that conserves the total momentum between particles and electromagnetic fields. This force is important to understand, as it can completely negate current drive and rotation drive mechanisms that are predicted on the basis of only resonant particles. Here, the existing electrostatic theory of this recoil force is extended to electromagnetic waves. While the result bears close similarity to historical fluid theories of laser–plasma interactions, it now incorporates both resonant and nonresonant particles, allowing momentum conservation to be self-consistently proven. Furthermore, the result is shown to be generally valid for kinetic plasmas, which is verified through single-particle hot-plasma simulations. The new form of the force provides physical insight into the nature of the generalized Minkowski (plasmon) momentum of geometrical optics, which is shown to correspond to the momentum gained by the field and nonresonant particles as the wave is self-consistently ramped up from vanishing amplitude.
Linear analysis on pressure-dilatation behind shock waves
Authors: Chen Chang Hsin
Published: February 2023

Linear interaction analysis is a popular tool to analyze shock–turbulence interactions. With assumptions that simplify the complicated two-way interactions, linear analysis presents explicit solutions for post-shock turbulence. The present work extends the analytical expressions to pressure-dilatation. Both the streamwise and transverse components are presented as a function of mean Mach number and streamwise location. The proposed solutions for pressure-dilatation agree well with data from direct numerical simulations when the adopted assumptions in linear analysis are met. The spatial evolutions under different flow conditions are presented, and the asymptotic states observed with increasing Mach number are discussed.
Effect of rotation and cross thermal buoyancy on the nanofluidic transport around a circular cylinder
Authors: Garai Sourav , Chatterjee Dipankar , Mondal Bittagopal
Published: February 2023

We numerically explore the coupled effect of a primary free stream nanofluid flow and secondary induced flows due to rotation and thermal buoyancy around a rotating and heated circular cylinder. The free stream flow of the Cu–H2O nanofluid is considered for a Reynolds number range 10≤Re≤30. The solid fraction (Cu-nanoparticles) varies in the base fluid (H2O) in the range 0%≤φ≤10%. The rotation and thermal buoyancy induced flows are considered for the range of dimensionless rotational speed, 0≤Ω≤3, and Richardson number, 0≤Ri<5. We estimate the first and the second critical rotational speeds characterizing the complete suppression of the steady and unsteady wakes. We also demonstrate a second vortex shedding mode originated at high rotational speeds. Furthermore, this study determines the critical thermal buoyancy to initiate the vortex shedding. The critical buoyancy parameter is found to increase with the increasing rotation rate and decrease with the increasing Reynolds number. However, it drops, rises, or remains constant depending on the solid fraction present in the base fluid.
Clogging: The self-sabotage of suspensions
Authors: Dincau Brian , Dressaire Emilie , Sauret Alban
Published: February 2023

Whether it’s pipes, highways, or arteries that are clogged, stopping the flow is always inconvenient and sometimes dangerous.
Endogenous circadian reporters reveal functional differences of
PERIOD
paralogs and the significance of PERIOD:CK1 stable interaction
Authors: Park Jiyoung , Lee Kwangjun , Kim Hyeongseok , Shin Heungsop , Lee Choogon
Published: February 2023

Adverse consequences from having a faulty circadian clock include compromised sleep quality and poor performance in the short-term, and metabolic diseases and cancer in the long-term. However, our understanding of circadian disorders is limited by the incompleteness of our molecular models and our dearth of defined mutant models. Because it would be prohibitively expensive to develop live animal models to study the full range of complicated clock mechanisms, we developed
PER1-luc
and
PER2-luc
endogenous circadian reporters in a validated clock cell model, U-2 OS, where the genome can be easily manipulated, and functional consequences of mutations can be accurately studied. When major clock genes were knocked out in these cells, circadian rhythms were modulated similarly compared with corresponding mutant mice, validating the platform for genetics studies. Using these reporter cells, we uncovered critical differences between two paralogs of
PER
. Although
PER1
and
PER2
are considered redundant and either one can serve as a pacemaker alone, they were dramatically different in biochemical parameters such as stability and phosphorylation kinetics. Consistently, circadian phase was dramatically different between
PER1
and
PER2
knockout reporter cells. We further showed that the stable binding of casein kinase1δ/ε to PER is not required for PER phosphorylation itself, but is critical for delayed timing of phosphorylation. Our system can be used as an efficient platform to study circadian disorders associated with pathogenic mutations and their underlying molecular mechanisms.
Post-transcriptional regulation in cranial neural crest cells expands developmental potential
Authors: Keuls Rachel A. , Oh Young Sun , Patel Ivanshi , Parchem Ronald J.
Published: February 2023

Developmental potential is progressively restricted after germ layer specification during gastrulation. However, cranial neural crest cells challenge this paradigm, as they develop from anterior ectoderm, yet give rise to both ectodermal derivatives of the peripheral nervous system and ectomesenchymal bone and cartilage. How cranial neural crest cells differentiate into multiple lineages is poorly understood. Here, we demonstrate that cranial neural crest cells possess a transient state of increased chromatin accessibility. We profile the spatiotemporal emergence of premigratory neural crest and find evidence of lineage bias toward either a neuronal or ectomesenchymal fate, with each expressing distinct factors from earlier stages of development. We identify the miR-302 miRNA family to be highly expressed in cranial neural crest cells and genetic deletion leads to precocious specification of the ectomesenchymal lineage. Loss ofmir-302results in reduced chromatin accessibility in the neuronal progenitor lineage of neural crest and a reduction in peripheral neuron differentiation. Mechanistically, we find thatmir-302directly targetsSox9to slow the timing of ectomesenchymal neural crest specification and represses multiple genes involved in chromatin condensation to promote accessibility required for neuronal differentiation. Our findings reveal a posttranscriptional mechanism governed by miRNAs to expand developmental potential of cranial neural crest.