bluuebunny/crossref_metadata_2025 huggingface dataset:
Disclosing the magnetic ground state of PrBaMn2O6
Authors: Blasco J. , Rodríguez-Velamazán J. A. , García-Muñoz J. L. , Subías G.
Published: October 2024

In this work, we report a neutron diffraction study on a single crystal of the layered PrBaMn2O6 perovskite. This compound undergoes two consecutive magnetic transitions with decreasing temperature. At TC ≈ 309 K, a long-range ferromagnetic ordering is established with the Mn magnetic moments oriented along the c axis. Below TN ≈ 240 K, a spin reorientation gives rise to a sudden decrease of the magnetization and the formation of an antiferromagnetic order. This magnetic transition is also accompanied by an electronic localization caused by a structural phase transition from a high-temperature tetragonal phase (P4/mmm) into a low-temperature orthorhombic one (P21am). Our neutron diffraction study at 12 K has unambiguously identified that the ground magnetic structure for this compound is a layered antiferromagnetic structure along the c axis with the Mn moments oriented in the ab plane along one diagonal of the primitive tetragonal cell. No sign of magnetic scattering associated to a CE-type magnetic structure was found in our study, discarding its occurrence in this compound. This result excludes the occurrence of a charge order transition to account for the electronic localization and it is fully consistent with previous structural studies showing a unique crystallographic site for Mn atom in the low-temperature phase. A symmetry analysis was carried out to identify the magnetic space group of the ferromagnetic order above TN and the two possible groups for the antiferromagnetic ordering below TN.
Focused electron beam induced deposition of magnetic tips for improved magnetic force microscopy
Authors: Escalante-Quiceno A. T. , Fernández V. V. , Martín J. I. , Hierro-Rodriguez A. , Hlawacek G. , Jaafar M. , Asenjo A. , Magén C. , De Teresa J. M.
Published: October 2024

The combination of focused electron beam induced deposition (FEBID) and magnetic force microscopy (MFM) has opened up new possibilities in nanoscale magnetic imaging. FEBID offers precise control over the dimensions and magnetic properties of the MFM probes, enabling the development of high-performance magnetic tips with enhanced capabilities compared to conventional ones. These improved tips offer superior resolution, sensitivity, and versatility in nanoscale magnetic surface characterization. Here, we compare the performance of a commercial MFM tip and a FEBID-grown Fe tip in a Ni80Fe20/NdCo5 film. The FEBID tip exhibited superior lateral resolution for topography imaging, likely due to its sharper and well-defined geometry, with a tip diameter of approximately 20 nm. MFM measurements further confirmed this advantage, revealing better-defined magnetic domains and higher magnetic contrast with the FEBID-functionalized probes compared to the commercial tip. This improvement can be attributed to the possibility to optimize the tip-sample magnetic interaction for the FEBID tip. By reducing the lift height of the second pass, we were able to bring the tip closer to the sample, enhancing the magnetic signal without introducing significant topographic artifacts. Overall, these findings highlight the potential of FEBID for creating high-resolution and high-sensitivity MFM tips.
Machine-learning assistant DFT study of half-metallic full-Heusler alloy N2CaNa: Structural, electronic, mechanical, and thermodynamics properties
Authors: Ettah E. B. , Ishaje M. E. , Minakova K. A. , Sirenko V. A. , Bondar I. S.
Published: October 2024

We studied the structural, electronic, mechanical, and thermodynamic properties of N2CaNa full Heusler alloys using density functional theory (DFT). Results for the structural analysis establish structural stability with a minimum formation energy of 29.9 eV. The compound is brittle and mechanically stable, having checked out with the Pugh criteria. The B/G ratio of bulk modulus B to shear modulus G for N2CaNa is 4.766, hence the material is ductile. N2CaNa alloy is ductile in nature. The Debye model correctly predicts the low-temperature dependence of heat capacity, which is proportional to Debye’s T3 law. Just like the Einstein model, it also recovers the Dulong–Petit law at high temperatures, suggesting the thermodynamic stability of the compounds at moderate temperatures. The results demonstrate potential N2CaNa for applications in spintronics, structural engineering, and other fields requiring materials with tailored properties.
Modulation method of studying two-phase antiferromagnetic domain structures created by a pulsed magnetic field
Authors: Savytskyi V. M.
Published: October 2024

It is shown that studies of the coercivity of AFM domain walls that arise in antiferromagnets during the first-order spin-orientation transition can be used as a tool for detecting, identifying, and studying spin structures realized in a crystal under the influence of an external magnetic field. The use of high-frequency modulation of the magnetic field made it possible to expand the capabilities of the standard induction method of studying magnetic phase transitions in antiferromagnets. The proposed measurement method was tested on well-known MnF2 and Cr2O3 crystals.
Influence of specularity factor on heat transport in nanoribbons of different sizes
Authors: Amrit J. , Medintseva T. , Niemchenko K. , Niemchenko Ye. , Rogova S. , Spotar M. , Tonkonozhenko A. , Vikhtynska T.
Published: October 2024

In this paper, the phonon heat transfer in two-dimensional conductors with different types of phonon reflection from the boundaries is examined. Heat conductors with arbitrary ratios of width W to length L are studied assuming that the mean free path between phonon-phonon collisions is infinite. The integral equations for the angular distribution functions of the incident and reflected phonons at a specific point on the conductor boundary were proposed. To solve these integral equations a new iterative method is proposed. The proposed iterative approach formally corresponds to taking into account subsequent collisions of phonons with the edges of the conductor. It ensures the convergence of the desired solution for any W/L ratio and for any value of the specularity coefficient p. Interpolation formulae are found to describe with sufficient accuracy the solution of the system of integral equations in the entire region of the specularity coefficient p from 0 to 1, and the W/L ratios ranging from 10 to 0.01. These formulae allow the construction of the isolines of the thermal conductance coefficient values, from which it is possible to determine the necessary values of W/L and parameter p to get the desired value of the thermal conductance.
X-ray spectromicroscopy of single NiO antiferromagnetic nanoparticles
Authors: Figueroa A. I. , Moya C. , Aribó M. X. , Ara J. , García del Muro M. , Kleibert A. , Valencia S. , Labarta A. , Batlle X. , Fraile Rodríguez A.
Published: October 2024

The chemical and magnetic properties of NiO nanoparticles (NP) have been studied with single-particle sensitivity by means of synchrotron-based, polarization-dependent X-ray absorption spectroscopy using photoemission electron microscopy around the Ni L3,2 edges. Three samples of NP in a size range of 40-120 nm were synthesized by thermal decomposition and subsequent calcination processes. The analysis of the local X-ray absorption spectra of tens of individual NP indicates a strong dependence of their Ni oxidation state with the calcination protocol of each sample. Additional electron-microscopy-based images and spectra of a few individual NP as well as other standard macroscopic data are in very good agreement with these experimental findings. These results showcase the relevance of combining standard and advanced single-particle studies to gain further insight into the understanding and control of electronic and magnetic phenomena at the nanoscale.
Hard x-ray magnetic circular dichroism under high magnetic field
Authors: Wilhelm F. , Rogalev A.
Published: October 2024

We describe high-field X-ray magnetic circular dichroism (XMCD) setup developed at the European Synchrotron Radiation Facility beamline ID12, which is dedicated to polarization dependent X-ray absorption spectroscopy in the soft and hard X-ray range from 2 to 15 keV. The static magnetic field up to 17 T is generated by a superconducting solenoid. Performance of the setup is illustrated with three representative studies: metamagnetic transitions in PrCo2Ge2 single crystal, Pauli paramagnetism in uranium monocarbide, and induced magnetism on gold atoms in different environment: MnAu4, UAu4 and a pure gold metal.
The magnetization in the lattice of quantum rings with rashba spin-orbit interaction
Authors: Babanlı A. M.
Published: October 2024

The magnetic properties of the lattice formed by noninteracting semiconductor quantum rings in a longitudinal magnetic field are investigated. It was shown that when the value of the Rashba parameter ξ = 1.5, the magnetization varies from positive to negative with changes in the Aharonov–Bohm flux and amplitude oscillations decrease.
Computer simulation of the electrical properties of carbon nanotubes encapsulated with alkali metal iodide crystals
Authors: Istlyaup Assel , Myasnikova Lyudmila , Bezrukovs Vladislavs , Žalga Artūras , Popov Anatoli I.
Published: October 2024

The progress of modern electronics largely depends on the discovery and use of new materials with unique properties. One of such promising materials is carbon nanotubes. Their outstanding mechanical, thermal, and electrical properties open up new possibilities for creating small-sized electronic devices and improving the characteristics of existing materials by improving their manufacturing and processing technologies. One of the unique features of carbon nanotubes is their ability to encapsulate other atoms or molecules within their structure. This property can be used to create nanocontainers capable of protecting and transporting active substances or to change the electronic properties of nanotubes depending on the encapsulated substance. In this work, crystals of alkali metal iodides MI were encapsulated in carbon nanotubes with different structures and characteristics. The results obtained in terms of energy and density spectra of the state indicate the characteristics of conductivity due to an increase in energy and high peaks in the Fermi level. Thus, carbon nanotubes represent an important material for future developments in the field of nanoelectronics and nanotechnology.
Refractometry of β-modification LiNH4SO4 crystals with an admixture of Mn2+ and Cu2+
Authors: Brezvin R. S. , Shchepanskyi P. A. , Shapravskyi A. O. , Stadnyk V. Yo. , Rudysh M. Ya. , Ftomyn N. Y.
Published: October 2024

Crystals of β-LiNH4SO4 doped with 2 and 5 wt% of Cu2+ and Mn2+ were synthesized. The crystal structure was determined using X-ray diffraction, and the dispersion of refractive indices and birefringence was investigated. The study revealed that adding impurities increased the absolute values of the refractive indices for all crystal physical directions. As the concentration of Mn2+ and Cu2+ impurities increased to 5%, the average refractive index showed an almost linear increase, attributed to the increase in crystal density due to a decrease in the volume of the unit cell. Furthermore, the impurities of Mn2+ and Cu2+ ions significantly altered the absolute values of birefringence. The refractions, electronic polarizabilities, and dispersion parameters were calculated using the Sellmeier formula, showing that adding impurities increased the values of molar refractions and electronic polarizabilities. The study also found that introducing Mn2+ and Cu2+ impurities shifted the optical isotropic point to the long-wavelength part of the spectrum by approximately 26 and 31 nm, respectively.
Laue-DIALS: Open-source software for polychromatic x-ray diffraction data
Authors: Hewitt Rick A. , Dalton Kevin M. , Mendez Derek A. , Wang Harrison K. , Klureza Margaret A. , Brookner Dennis E. , Greisman Jack B. , McDonagh David , Šrajer Vukica , Sauter Nicholas K. , Brewster Aaron S. , Hekstra Doeke R.
Published: October 2024

Most x-ray sources are inherently polychromatic. Polychromatic (“pink”) x-rays provide an efficient way to conduct diffraction experiments as many more photons can be used and large regions of reciprocal space can be probed without sample rotation during exposure—ideal conditions for time-resolved applications. Analysis of such data is complicated, however, causing most x-ray facilities to discard >99% of x-ray photons to obtain monochromatic data. Key challenges in analyzing polychromatic diffraction data include lattice searching, indexing and wavelength assignment, correction of measured intensities for wavelength-dependent effects, and deconvolution of harmonics. We recently described an algorithm, Careless, that can perform harmonic deconvolution and correct measured intensities for variation in wavelength when presented with integrated diffraction intensities and assigned wavelengths. Here, we present Laue-DIALS, an open-source software pipeline that indexes and integrates polychromatic diffraction data. Laue-DIALS is based on the dxtbx toolbox, which supports the DIALS software commonly used to process monochromatic data. As such, Laue-DIALS provides many of the same advantages: an open-source, modular, and extensible architecture, providing a robust basis for future development. We present benchmark results showing that Laue-DIALS, together with Careless, provides a suitable approach to the analysis of polychromatic diffraction data, including for time-resolved applications.
Integrated mid-infrared sensing and ultrashort lasers based on wafer-level Td-WTe2 Weyl semimetal
Authors: Wu Di , Mo Zhiheng , Li Xue , Ren Xiaoyan , Shi Zhifeng , Li Xinjian , Zhang Ling , Yu Xuechao , Peng Hexuan , Zeng Longhui , Shan Chong-Xin
Published: October 2024

There is an urgent need for infrared (IR) detection systems with high-level miniaturization and room-temperature operation capability. The rising star of two-dimensional (2D) semimetals with extraordinary optoelectronic properties can fulfill these criteria. However, the formidable challenges with regard to large-scale patterning and substrate-selective requirements limit material deposition options for device fabrication. Here, we report a convenient and straightforward eutectic-tellurization transformation method for the wafer-level synthesis of 2D type-II Weyl semimetal WTe2. The non-cryogenic WTe2/Si Schottky junction device displays an ultrawide detection range covering 10.6 μm with a high detectivity of ∼109 Jones in the mid-infrared (MIR) region and a short response time of 1.3 μs. The detection performance has surpassed most reported IR sensors. On top of that, on-chip device arrays based on Schottky junction display an outstanding MIR imaging capability without cryogenic cooling, and 2D WTe2 Weyl semimetal can serve as a saturable absorber for stable Q-switched and mode-locked laser operation applications. Our work offers a viable route for wafer-scale vdW preparation of 2D semimetals, showcasing their intriguing potential in on-chip integrated MIR detection systems and ultrafast laser photonics.
Numerical evidence for the existence of three different stable liquid water structures as indicated by local order parameter
Authors: Takahashi Kazuaki Z.
Published: October 2024

Structures of liquid water are controversial not only in supercooled polyamorphism but also in stable bulk liquids in the high temperature and pressure range. Several experimental studies in bulk liquid have assumed the existence of three different liquid water structures. If indeed the three liquid water structures are different, they should be clearly distinguished by some measure other than density that characterizes the difference in structural order. In this study, whether the three different bulk liquid water structures are real or not is numerically verified based on molecular simulations using a reliable water molecular model. Since these liquid water structures have been suggested to be related to three different crystal structures (i.e., ice Ih, III, and V), liquid structures are sampled from the vicinity of the ice Ih-liquid coexistence point, the ice III-V-liquid triple point, and the ice V-VI-liquid triple point, respectively. An attempt is made to introduce local order parameters (LOPs) as an indicator to distinguish these structures. A fast and exhaustive LOP search is performed by the molecular assembly structure learning package for Identifying order parameters. The selected LOP distinguishes the molecular structures of three different stable liquid waters with high accuracy, providing numerical evidence that these structural orders differ from each other. Furthermore, regions of the liquid water structures are drawn on a phase diagram using the LOP, demonstrating their consistency with experimental studies.
Design and tuning of S-band traveling wave accelerating structures for Hefei Advanced Light Facility
Authors: Ma Shaohang , Wu Fangfang , Wang Ziyu , Huang Zhicheng , Wei Yelong , Zhang Shancai , Pang Jian
Published: October 2024

The Hefei Advanced Light Facility (HALF) injector comprises 40 S-band 3-m traveling wave accelerating structures, capable of delivering electrons with a full energy of 2.2 GeV into the storage ring. To mitigate emittance degradation caused by field asymmetry in the coupler cavity, the coupler design incorporates a racetrack and a short-circuit waveguide. This paper introduces the microwave design and provides the parameters of the HALF accelerating structure. Two design methods for couplers were compared, and the effectiveness of using the undercoupling (for which the coupling coefficient β calculated by Kyhl’s method is less than 1) to match the output coupler was experimentally demonstrated. The nodal-shift method and bead-pull method were used to test and tune the structures of different output coupler designs during the cold test, demonstrating the tuning results under actual conditions. Experiments were conducted under different load conditions to calculate the local reflection coefficient of the output coupler. The results show that both the accelerating structure design and the tuning results meet the HALF requirements.
Cryogenic sapphire optical reference cavity with crystalline coatings at 1 × 10−16 fractional frequency instability
Authors: Valencia Jose , Iskander George , Nardelli Nicholas V. , Leibrandt David R. , Hume David B.
Published: October 2024

The frequency stability of a laser locked to an optical reference cavity is fundamentally limited by thermal noise in the cavity length. These fluctuations are linked to material dissipation, which depends on both the temperature of the optical components and the material properties. Here, the design and experimental characterization of a sapphire optical cavity operated at 10 K with crystalline coatings at 1069 nm is presented. Theoretical estimates of the thermo-mechanical noise indicate a thermal noise floor below 4.5 × 10−18. Major technical noise contributions including vibrations, temperature fluctuations, and residual amplitude modulation are characterized in detail. The short-term performance is measured via a three-cornered hat analysis with two other cavity-stabilized lasers, yielding a noise floor of 1 × 10−16. The long-term performance is measured against an optical lattice clock, indicating cavity stability at the level of 2 × 10−15 for averaging times up to 10 000 s.
Hyperslip velocity of melting ice sliding down inclined parallel ridges
Authors: Wang Haoli
Published: October 2024

A geometric and physical model for melting ice sliding over inclined superhydrophobic (SH) surfaces with parallel ridges is presented. By analyzing the micro-shear flows of molten liquid films between the ice layer and SH surfaces, the hyperslip velocities of melting ice sliding are investigated. The stick-slip boundary condition of the SH surface is used to establish the dual-series equations analytically, and the numerical solutions are implemented by truncating Fourier series and transforming the dual-series equations into linear algebraic equations to determine the hyperslip velocities of melting ice sliding. The numerical results indicate that the non-dimensional hyperslip velocities increase nonlinearly from near 0 to approximately 1.1 for longitudinal sliding and from near 0 to approximately 0.55 for transverse sliding with an increasing air groove ratio (a). The hyperslip velocities increase with increasing δ at the beginning initially (δ < 1), after which they tend toward asymptotic solutions as δ = 1. The hyperslip velocity ratio (Wh/Uh) shows that longitudinal ridges are at least twice as effective as transverse ridges in enhancing the ice hyperslip velocity, with the velocities accounting for more than 60% of the ice sliding velocities for arbitrary θ at a = 0.95 and δ = 0.1. The relative deviations between the numerical and asymptotic solutions are less than 5% at δ = 1, with the maximum relative deviation occurring at a = 0.65 for arbitrary θ.
Test of universality at first order phase transitions: The Lebwohl–Lasher model
Authors: Xue Aojie , Xu Jiahao , Landau D. P. , Binder K.
Published: October 2024

Finite size scaling for a first order phase transition, where a continuous symmetry is broken, is tested using an approximation of Gaussian probability distributions with a phenomenological “degeneracy” factor. Predictions are compared to the data from Monte Carlo simulations of the Lebwohl–Lasher model on L × L × L simple cubic lattices. The data show that the intersection of the fourth-order cumulant of the order parameter for different lattice sizes can be expressed in terms of the relative degeneracy q = 4π of the ordered and disordered phases. This result further supports the concept of universality at first order transitions developed recently.
Comparison of rotor hovering aerodynamic performance in free-surface and ground effects using numerical methods
Authors: Zhang Minghao , Duan Wenyang , Shao Wenbo , Liu Jianyu
Published: October 2024

The aerodynamic performance of the rotor hovering on the air–water free-surface, which is significant for cross-medium unmanned aerial vehicles, is merely studied. In this study, a compressible two-phase flow model is used to compare the aerodynamic performance in the free-surface effect (FSE) and the ground effect (GE) with various dimensionless distances, γ, between the rotor and the ground (or free-surface). According to the results, the vortex core in FSE moves further in both vertical and radial directions than in GE for the early stages. Additionally, the blade surface is separated into three parts. In zone I, the aerodynamic performance is mostly determined by proximity effects. For both FSE and GE, the downward induced velocity at the rotor disk rises with increasing γ, leading to a decrease in the sectional thrust coefficient CT,S. By the way, CT,S is larger in FSE. In zone III, the aerodynamic performance is mostly governed by the blade tip vortex. The trend of aerodynamic performance with γ is reversed compared with zone I. The above-mentioned two opposing tendencies result in a smaller rotor thrust in FSE than in GE within the range of 0.60≤γ≤3.00, but a higher rotor thrust in FSE within the range of γ≤0.60.
Influence of viscous shear boundary layers on the sound performance of acoustic metasurfaces
Authors: Song Xiang , Xu Jingjian , Sui Dan , Xiao Heye , Zhou Jie , Sun Yifeng
Published: October 2024

Acoustic metasurfaces are mostly designed in a static medium, ignoring the influence of flow characteristics. However, in actual aeroacoustic noise reduction, e.g., aircraft engine liner design, the background flow can have effects on the sound performance of acoustic metasurfaces, especially for a viscous shear flow. The effect of a viscous shear flow is often neglected in previous studies on the design and sound field prediction of acoustic metasurfaces. For considering the viscous and thermal dissipation effects, an analytical model is developed to predict the sound field of a periodic metasurface in a viscous shear boundary layer. In this model, the effective impedance based on the high-frequency limits is utilized to consider both the actual impedance of the acoustic metasurface and the effect of a finite-thickness viscous shear boundary layer. An acoustic metasurface designed in the static medium or even redesigned with only the effect of an inviscid shear flow is not suitable for wave manipulation when the Reynolds number (Re) changes significantly, since the viscosity is an important and non-negligible factor affecting the sound performance. For the cases in this work, the sound performance gradually deteriorates with the decrease in Re when Re≥5×106. When Re≤1×106, especially at Re=1×105, the existence of viscous shear flows could result in the destruction of expected anomalous reflection and significant intensity change of the reflected waves. This research provides a method for the design of acoustic metasurfaces under viscous shear flow conditions, which is significant for future aeroacoustic applications.
Two-sided Lieb–Thirring bounds
Authors: Bachmann Sven , Froese Richard , Schraven Severin
Published: October 2024

We prove upper and lower bounds for the number of eigenvalues of semi-bounded Schrödinger operators in all spatial dimensions. As a corollary, we obtain two-sided estimates for the sum of the negative eigenvalues of atomic Hamiltonians with Kato potentials. Instead of being in terms of the potential itself, as in the usual Lieb–Thirring result, the bounds are in terms of the landscape function, also known as the torsion function, which is a solution of (−Δ + V + M)uM = 1 in Rd; here M∈R is chosen so that the operator is positive. We further prove that the infimum of (uM−1−M) is a lower bound for the ground state energy E0 and derive a simple iteration scheme converging to E0.
Probabilistic computing enabled by continuous random numbers sampled from in-plane magnetized stochastic magnetic tunnel junctions
Authors: Han Ki Hyuk , Kim YongJin , Koo Hyun Cheol , Lee OukJae , Hong Seokmin
Published: October 2024

Hardware acceleration of probabilistic computing has recently attracted significant attention in the slowing down of Moore's law. A randomly fluctuating bit called as p-bit constitutes a fundamental building block for this type of physics-inspired computing scheme, which can be efficiently built out of emerging devices. Here, we report a probabilistic computing set-up, where random numbers are sampled from stochastic magnetic tunnel junctions with in-plane magnetic anisotropy. Although the sampled data have largely bipolar-like probability distributions compared to the ideally uniform ones, the results show a reasonable performance in a standard simulated annealing process on Boolean satisfiability problems up to 100 variables. The systematic simulations suggest the importance of probability distribution where some additional intermediate states help to increase the performance.
Coalescence of liquid or gel-like DNA-encapsulating microdroplets
Authors: Nishio Takashi , Schiessel Helmut
Published: October 2024

Liquid–liquid phase separation plays a prominent role in the physics of life, providing the cells with various membrane-less compartments. These structures exhibit a range of material properties that, in many cases, change over time. Inspired by this, we investigate here an aqueous two-phase system formed by mixing polyethylene glycol with dextran. We modulate the material properties of the resulting dextran droplets by adding DNA that readily enters the droplets. We find a non-monotonic dependence of the physical properties of the droplets under the imposed ionic conditions.
Unraveling the enhanced sodium-storage mechanism in a strongly bonded 2D honeycomb borophene/boron phosphide heterostructure
Authors: Fan Junming , Chen Haiyuan , Niu Xiaobin
Published: October 2024

The growing modern demand for battery capacity is driving the development of high-capacity metal-ion battery anodes for future energy storage. Two-dimensional (2D) material-based heterostructures have shown advantages as alternative anodes due to their enhanced adsorption capacity. The lightweight nature of honeycomb borophene (HB) is beneficial for serving as a high-capacity anode but is constrained by structural instability arising from electron deficiency. In this study, using first-principles calculations, we propose a HB/boron phosphide (BP) heterostructure as an anode for both lithium-ion batteries and sodium-ion batteries (SIBs). The heterostructure engineering not only stabilizes the HB structure but also leads to a bonding heterostructure instead of common van der Walls type. The HB/BP demonstrates robust structural stability and reversibility when multiple ions are stored. In addition, the HB/BP offers stable storage sites and low diffusion barriers for lithium (0.31 eV) and sodium (0.28 eV), indicating rapid charging–discharging performance. Notably, the predicted maximum sodium storage capacity reaches 2402 mAh/g, surpassing that of the constituent monolayers and most 2D heterostructures. The underlying mechanism for high storage capacity is elucidated through detailed charge image model analysis, offering atomistic-scale insights for constructing high-capacity anodes. All results suggest that the presented HB/BP is a promising anode candidate for SIBs and opens an avenue for stabilizing HB in energy storage.
Effect of a longitudinal magnetic field on streamer propagation in air: Numerical simulation
Authors: Bochkov Evgenii
Published: October 2024

Two-dimensional numerical simulation of the negative streamer propagation in external electric and magnetic fields is performed for the case when applied electric and magnetic field vectors are parallel to the symmetry axis of the problem. The calculations are performed for air (a mixture of 80% N2 and 20% O2) with a concentration of gas molecules equal to Loshmidt's number. It is shown that the presence of a longitudinal field leads to a noticeable increase in the streamer propagation velocity associated with a decrease in its radius, which agrees with the known analytical estimates.
Flow topology and mixing in alveolar edema: Unsteady flow in interconnected cavities with moving walls
Authors: Dong Jun , Lv Huimin , Wang Chengyue , Yang Yue , Chen Huaying , Zhu Yonggang
Published: October 2024

The study of alveolar fluid mechanics is critical for comprehending respiratory function and lung diseases, particularly in cases of alveolar lesions that result in significant structural and fluid dynamic changes. This study investigates the flow topology and chaotic mixing within both normal and edematous alveoli, where the alveoli in the edematous model are interconnected by pores. To numerically simulate alveolar flow, a mathematical model is developed to ascertain the key parameters of Reynolds number (Re) and alveolar expansion ratio. Subsequently, the flow fields are analyzed to determine wall shear stress (WSS) and to identify WSS critical points and critical points of velocity vector, with a thorough presentation of the various flow topologies corresponding to these critical points. Moreover, a dynamic mode decomposition-based method is introduced to track particle trajectories, and the exploration of chaotic mixing is conducted through tracer advection, Poincare map, and the calculation of finite-time Lyapunov exponents. Results indicate that the edematous model exhibits a higher Re and higher WSS due to the fluid properties. Within the alveoli, high WSS is usually localized at the pores. The pores increase critical points and alter flow topologies, significantly changing chaotic mixing. Additionally, Re and alveolar locations also affect mixing patterns. These findings are crucial for understanding alveolar physiology and designing inhaled drugs for lung diseases, considering the role of chaos in particle transport in the lung acini.
Particle motion and flow contribution in a double-row hydraulic harvesting model for deep-sea mining
Authors: Xue Ling , Yang Hao , Ren Yongwei , Su Xianghui , Zhu Zuchao
Published: October 2024

The double-row hydraulic sluicing model is widely used in deep-sea mining collecting systems. However, there has been limited research focusing on its flow contributions and the relationship with particle motions. In this paper, a double-row hydraulic sluicing collector with high pickup efficiency is designed. The flow characteristics, the mechanics of the flow field, and the movement of particles in the collector are analyzed in detail through numerical calculations and experiments. The flow contributions and the collecting mechanism are clearly highlighted through aspects such as the frequency of pressure fluctuations and flow-induced vortices. The high-speed jet rolls upward after hitting the ground, forming a high-pressure area on the ground. The upwelling in the collection area is generated by the combination of the high-pressure area and the upward rolling of fluid. Regarding the particles, it is observed that particle motion can be divided into two main stages, rapid acceleration, followed by slow deceleration. Some particles may fall back when rising. Additionally, the analysis of fluid forces on the particles indicates that drag force and pressure gradient force have significant influence on particle motion.
In silico study of DNA mononucleotide self-assembly
Authors: Trapella Mattia , Bellini Tommaso , De Michele Cristiano
Published: October 2024

Recent experiments have demonstrated the self-assembly and long-range ordering of concentrated aqueous solutions of DNA and RNA mononucleotides. These are found to form Watson–Crick pairs that stack into columns that become spatially organized into a columnar liquid-crystalline phase. In this work, we numerically investigate this phase behavior by adopting an extremely coarse-grained model in which nucleotides are represented as semi-disk-like polyhedra decorated with attractive (patchy) sites that mimic the stacking and pairing interactions. We carry out Monte Carlo simulations of these patchy polyhedra by adapting algorithms borrowed from computer graphics. This model reproduces the features of the experimental phase behavior, which essentially depends on the combination of pairing and stacking interactions.
Noise reduction of an airfoil model covered by bio-inspired herringbone riblets
Authors: He Haoxiang , Bai Honglei , Zhang Shixiong , Liu Yu
Published: October 2024

It is curious that whether the typical herringbone pattern of bird flight feathers plays a role in attenuating aeroacoustic noise. Being motivated by this, experiments are conducted to investigate noise reduction of the NACA0012 (National Advisory Committee for Aeronautics) airfoil-based model with one side surface covered by bio-inspired herringbone patterns of riblets. The herringbone-ribbed surface is defined by the divergent angle β (= 60°) of the riblets pattern, the spanwise wavelength λ (= 0.2c and 0.4c) of the pattern, and the riblet height h (= 0.6%c and 1.2%c), where c is the chord length of the airfoil. While far-field sound pressure fluctuations are measured via microphones in an anechoic wind tunnel, flow fields around the model are captured using particle image velocimetry (PIV) in a water tunnel. The effective angle of attack of the test models ranges from αeff = −11.1° to 11.1° and Reynolds number considered is from Re = 2.3 × 105 to 7.8 × 105. Compared with the baseline smooth models, the models with the riblet pattern on the pressure side are able to substantially suppress the tonal noise, associated with considerable reduction in the overall noise. The reduction in the overall sound pressure levels of the tonal noise and the overall noise are up to 21.3 dB and 20.5 dB, respectively, at αeff = −2.2° and Re = 3.6 × 105. The noise reduction is attributed to the transition of laminar to turbulent boundary layers over the herringbone-ribbed surface, particularly in the saddle location where the spanwise-repeated herringbone pattern converges. Behavior of shear layers separating from the trailing edge of the model is examined, corroborating the proposition that the acoustic feedback loop is impaired by the herringbone-ribbed surface.
A residence time-based concept for modeling and analyzing the impact of diffusion on auto-ignition processes with thermal stratification
Authors: Bazhar Z. , Robin V. , Bouali Z.
Published: October 2024

A meticulous definition of the residence time (also referred to as the fluid age) in the context of auto-ignition in a thermally stratified gas has demonstrated that the age can be considered as a level-set function, which allows the tracking of a self-ignition front propagating. In order to avoid the difficulty of defining the boundary and initial conditions for this age, which can be seen as fluid birth, a normalized age is introduced. Meticulous derivation of the equation revealed additional terms related to the scalar dissipation rates and the gradient in the composition space of the auto-ignition delay. To validate this model equation, two canonical configurations were proposed: one representing a hot spot self-igniting with significant thermal diffusion and the other where a self-ignition front propagates at an almost constant speed. The analysis, based on the normalized age of the particles, reveals the impact of thermal diffusion on the acceleration or deceleration of particle aging. In certain instances, a particle rejuvenation mechanism through thermal diffusion has been identified. Furthermore, this work demonstrates the capacity of the normalized residence time field to map transitions between auto-ignition and laminar flame. Finally, the different cases studied were classified in an auto-ignition/diffusion diagram based on three non-dimensional characteristic numbers, which highlighted five combustion regimes.
Second harmonic scattering reveals different orientational orders inside the hydrophobic cavity of hybrid nanotubes
Authors: Dhaini Ali , Prelot Bénédicte , Thill Antoine , Martin-Gassin Gaelle , Gassin Pierre-Marie
Published: October 2024

Second Harmonic Scattering (SHS) is a suitable technique to investigate the orientational correlations between molecules. This article explores the organization of different dye molecules adsorbed within the hydrophobic porosity of a hybrid organic–inorganic nanotube. Experimental polarization resolved SHS measurements highlight different orientational orders ranking from highly ordered and rigid organizations to disordered assemblies. Microscopic models of assemblies inside the pores are presented and discussed in the context of orientational correlation between the dye molecules. This work shows that the degree of order in the nanotube cavity follows the molecule’s affinity within the porosity.
A comprehensive review of advances in physics-informed neural networks and their applications in complex fluid dynamics
Authors: Zhao Chi , Zhang Feifei , Lou Wenqiang , Wang Xi , Yang Jianyong
Published: October 2024

Physics-informed neural networks (PINNs) represent an emerging computational paradigm that incorporates observed data patterns and the fundamental physical laws of a given problem domain. This approach provides significant advantages in addressing diverse difficulties in the field of complex fluid dynamics. We thoroughly investigated the design of the model architecture, the optimization of the convergence rate, and the development of computational modules for PINNs. However, efficiently and accurately utilizing PINNs to resolve complex fluid dynamics problems remain an enormous barrier. For instance, rapidly deriving surrogate models for turbulence from known data and accurately characterizing flow details in multiphase flow fields present substantial difficulties. Additionally, the prediction of parameters in multi-physics coupled models, achieving balance across all scales in multiscale modeling, and developing standardized test sets encompassing complex fluid dynamic problems are urgent technical breakthroughs needed. This paper discusses the latest advancements in PINNs and their potential applications in complex fluid dynamics, including turbulence, multiphase flows, multi-field coupled flows, and multiscale flows. Furthermore, we analyze the challenges that PINNs face in addressing these fluid dynamics problems and outline future trends in their growth. Our objective is to enhance the integration of deep learning and complex fluid dynamics, facilitating the resolution of more realistic and complex flow problems.
Experimental investigation on the longitudinal stability of the aerodynamically alleviated marine vehicle with multi-steps
Authors: Song Yani , Du Xiaoxu , Jiang Yi , Hu Yuli
Published: October 2024

To investigate the hydrodynamic performance and motion characteristics of the ultra-high-speed aerodynamically alleviated marine vehicle (AAMV) with multi-steps, a towing tank test scheme was designed and carried out at the China Special Vehicle Research Institute. The study analyzed the effects of canard angle, flap angle, longitudinal center of gravity, and displacement tonnage on the motion stability of multi-stepped AAMV at different speeds. The results indicate that the canard generates an overturning moment that reduces the resistance but brings forward the speed at which porpoising behavior occurs. Additionally, the backward shift of the longitudinal center of gravity causes motion oscillation during the high-speed planing phase, which negatively affects longitudinal stability. On the other hand, the flaps provide aerodynamic lift and restoring moments, improving the lift-drag ratio and enhancing longitudinal stability. Furthermore, while increased mass may result in higher total resistance, it can actually improve resistance performance per unit mass and improve the lift-drag ratio at cruising speed. The computational fluid dynamics (CFD) method was used to analyze the destabilization mechanism of AAMV under extreme conditions in the test. Numerical results indicate that the longitudinal stability of AAMV is directly affected by the relative positions of the center of gravity and the center of pressure. These results demonstrate the changing rules of resistance performance and longitudinal stability of AAMV under different design parameters, thus providing a powerful tool for optimizing AAMV.
Monte Carlo simulation of an ammonia adsorption refrigeration system based on calcium chloride impregnated nanoporous carbon
Authors: Afify Nasser D. , Sweatman Martin B.
Published: October 2024

We use Monte Carlo simulations to investigate the effect of incorporating calcium chloride salt into nanoporous carbon on the performance of an ammonia–carbon adsorption refrigeration system. Simulations of ideal carbon slit-pores with pore sizes of 1, 2, and 3 nm, each containing calcium chloride with ion densities of 0.0, 0.25, and 0.5 nm−3, were carried out at temperatures between 0 and 30 °C and ammonia pressures up to 15.0 bar. The results reveal that ideal 1 nm pores are able to achieve a good refrigeration performance using waste heat below 100 °C to drive the process, but adding salt to these pores increases the waste heat temperature required beyond 100 °C. However, ideal 2 nm pores require the addition of 0.25 nm−3 salt to achieve a similar performance, while the 3 nm pores were unable to achieve a satisfactory refrigeration performance. Considering that real nanoporous carbons usually feature a variety of specific adsorption sites and non-ideal geometries that should have a similar impact to adding salt, these results indicate that nanoporous carbons with pores in the range of 1–2 nm are likely to hold the most promise for adsorption refrigeration applications and that the addition of salt may not always be helpful.
Investigation of droplet splashing behavior during oblique jet impact onto a wall
Authors: Wang Haoyu , Hu Haifeng , Yang Bin , Yang Jianwen , Yang Yang , Wang Ying
Published: October 2024

For the issue of jet impingement on the wall in industrial cooling processes, an experimental setup based on high-speed photography for oblique jet impingement onto the wall was constructed. The experimental focus was on the study of liquid droplet splashing behavior after oblique jet impingement on the wall, discussing the liquid droplet splashing behavior under three jet impingement modes: Rayleigh regime, first wind-induced regime, and secondary wind-induced regime. By employing methods such as trajectory imaging and particle image velocity for liquid droplet parameter image measurement, obtaining the particle size, velocity, and distribution of splashed droplets after oblique jet impact on walls under different working conditions. The impact of jet impingement velocity and angle on droplet splashing parameters was analyzed. The results showed that when the impingement point is before the breakup length, with increasing flow velocity, the surface wave of the liquid column, and the spreading liquid film became more pronounced, but the loss of liquid-phase components due to splashing was relatively small. When the impingement point is after the breakup length, the secondary breakup resulting in a “crown”-shaped liquid film after droplet impingement leads to a significant loss of liquid-phase components through splashing. As the inlet velocity of the jet increases, there is a decreasing trend in droplet size and an increasing trend in droplet velocity. With an increase in jet angle, there is a decreasing trend in droplet size and velocity. Based on the concentration, size, and velocity distribution characteristics of splashing droplets, the area after oblique jet impingement on the wall can be divided into the impingement zone, low-concentration low-velocity zone, high-concentration high-velocity zone, and lateral splashing zone. This has significant implications for understanding the splashing mechanism after oblique jet impingement on the wall and optimizing operating conditions.
Characterizing disturbance growth and transition of laminar separation bubbles subjected to varying freestream turbulence
Authors: Kumar Ravi , Sarkar S.
Published: October 2024

The spatial manifestation of a boundary layer subjected to an adverse pressure gradient for varying freestream turbulence (FST) is discussed here through experiments and a wall-resolved large eddy simulation (LES). Three levels of FST, i.e., 1.02%, 2.1%, and 3.5%, are considered at a Reynolds number of 0.2 × 106 based on the inlet velocity and plate length. A laminar separation bubble (LSB) appears for FST levels of 1.02%, where the shear layer becomes unstable via the Kelvin-Helmholtz (K-H) mechanism. Bubble suppression is apparent, where transition occurs via the Klebanoff mode (K-mode), bypassing the K-H instability as the FST level is increased to 3.5%. The streamwise evolution of fluctuations reveals an exponential growth at a low FST of 1.02%, whereas it changes to algebraic at a higher FST level of 3.5%. Notably, a dual growth of velocity fluctuations, i.e., an algebraic growth in the initial part of LSB followed by an exponential growth, illustrates the coexistence of K-H instability and K-mode at an FST level of 2.1%: a finding corroborated by LES. Additionally, local linear stability analysis and the evolution of intermittency provide valuable insights into the growth of modal and non-modal instabilities and their interactions.