bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhancing surface strength of tungsten by gradient nano-grained structure
Authors: Xu Daqian , Huang Zhifeng , Xu Like , Yin Guanchao , Lin Yaojun , Shen Qiang , Chen Fei
Published: May 2024

A gradient nano-grained (GNG) structure demonstrates satisfactory surface strength. However, the underlying mechanism responsible for its strengthening lacks sufficient research. To explain how gradient nano-grained structures improve surface strength in detail, large-scale parallel molecular dynamics simulations are utilized in this study to investigate the mechanical deformation behavior of BCC tungsten with varying grain sizes during spherical nanoindentation. The findings suggest that a well-designed gradient structure can promote rational plasticity and an appropriate distribution of internal atomic stress. The critical point of maximum stress and hardness is observed when the initial grain size is 4.5 nm, with an average grain size of 7.1 nm. The interaction between grain boundary slip and migration in small grains, along with the enhanced activity of grain boundary dislocations in large grains, collectively contributes to the enhancement of the strength and hardness of the GNG structure. Compared with a homogeneous nano-grained structure, the gradient nano-grained structure exhibits a more rational distribution of dislocations and stress relaxation effects to enhance strength. The present work utilizes the molecular dynamics nanoindentation method to study GNG materials, providing a methodology for investigating the surface strengthening effects of GNG structures at the atomic scale and effectively revealing potential mechanisms for resisting surface deformation in GNG structures.
Manipulation of γ-ray polarization in Compton scattering
Authors: Wang Yu , Ababekri Mamutjan , Wan Feng , Wen Jia-Xing , Wei Wen-Qing , Li Zhong-Peng , Kang Hai-Tao , Zhang Bo , Zhao Yong-Tao , Zhou Wei-Min , Li Jian-Xing
Published: May 2024

High-brilliance high-polarization γ rays based on Compton scattering are of great significance in broad areas, such as nuclear physics, high-energy physics, astrophysics, etc. However, the transfer mechanism of spin angular momentum in the transition from linear through weakly into strongly nonlinear processes is still unclear, which severely limits the simultaneous control of brilliance and polarization of high-energy γ rays. In this work, we clarify the transfer mechanism in the transition regions and put forward a clear way to efficiently manipulate the polarization of emitted photons. We find that to simultaneously generate high-energy, high-brilliance, and high-polarization γ rays, it is better to increase the laser intensity for the initially spin-polarized electron beam. However, for the case of employing the initially spin-nonpolarized electron beam, in addition to increasing laser intensity, it is also necessary to increase the energy of the electron beam. Because the γ photon polarization emitted through the single-photon absorption channel is mainly attributed to the spin transfer of laser photons, while in multi-photon absorption channels, the electron spin plays a major role. Moreover, we confirm that the signature of γ-ray polarization can be applied to observing the nonlinear effects (multi-photon absorption) of Compton scattering with moderate-intensity laser facilities.
Field-driven polyelectrolyte–polymer collisions in nanochannels
Authors: Wang H. Y. , Slater G. W.
Published: May 2024

Even though dilute (unentangled) polymer solutions cannot act as gel-like sieving media, it has been shown that they can be used to separate DNA molecules in capillary electrophoresis. The separation then comes from sporadic, independent DNA–polymer collisions. We study polymer–polymer collisions in nanochannels (i.e., channels that are smaller than the normal size of the polymers), a situation where a polyelectrolyte is forced to migrate “through” isolated uncharged molecules during electrophoresis. We use Langevin dynamics simulations to explore the nature of these collisions and their effect on the net motion of the two polymer chains. We identify several types of collisions, including some that are unique to nanochannels. When the uncharged polymer is much larger than the polyelectrolyte, the system is reminiscent of gel electrophoresis, and we propose a modified empirical reptation model to explain the data, with an orientation factor that depends on the tube diameter. We also observe that the duration of a collision is a non-monotonic function of the polymer size ratio when the two chains are of comparable size, a surprising resonance-like phenomenon, which, combined with the asymmetric nature of molecular conformations during collision, suggests possible ratchet-like mechanisms that could be used to sort polyelectrolytes in nanodevices.
Hydrodynamic slip characteristics of shear-driven water flow in nanoscale carbon slits
Authors: Shuvo Abdul Aziz , Paniagua-Guerra Luis E. , Yang Xiang , Ramos-Alvarado Bladimir
Published: May 2024

This paper reports on the effects of shear rate and interface modeling parameters on the hydrodynamic slip length (LS) for water–graphite interfaces calculated using non-equilibrium molecular dynamics. Five distinct non-bonded solid–liquid interaction parameters were considered to assess their impact on LS. The interfacial force field derivations included sophisticated electronic structure calculation-informed and empirically determined parameters. All interface models exhibited a similar and bimodal LS response when varying the applied shear rate. LS in the low shear rate regime (LSR) is in good agreement with previous calculations obtained through equilibrium molecular dynamics. As the shear rate increases, LS sharply increases and asymptotes to a constant value in the high shear regime (HSR). It is noteworthy that LS in both the LSR and HSR can be characterized by the density depletion length, whereas solid–liquid adhesion metrics failed to do so. For all interface models, LHSR calculations were, on average, ∼28% greater than LLSR, and this slip jump was confirmed using the SPC/E and TIP4P/2005 water models. To address the LS transition from the LSR to the HSR, the viscosity of water and the interfacial friction coefficient were investigated. It was observed that in the LSR, the viscosity and friction coefficient decreased at a similar rate, while in the LSR-to-HSR transition, the friction coefficient decreased at a faster rate than the shear viscosity until they reached a new equilibrium, hence explaining the LS-bimodal behavior. This study provides valuable insights into the interplay between interface modeling parameters, shear rate, and rheological properties in understanding hydrodynamic slip behavior.
Fabrication of surface nanoscale axial photonics structures with electric arc discharge
Authors: Liu Wenxin , Shu Xuewen
Published: May 2024

The fabrication of surface nanoscale axial photonics (SNAP) microresonators, utilizing the approach of electric arc discharge (EAD), is accomplished, achieving a precision at the angstrom level. This paper thoroughly investigates the effects that discharge intensity and discharge duration have on SNAP microresonators, respectively, through the manipulation of relevant discharge parameters. The results indicate that, within a specified range of discharge intensity, a linear relationship is observed between the effective radius variation (ERV) and the discharge intensity, characterized by a slope of 0.325 nm/intensity unit. As the discharge duration is extended, the ERV gradually increases, eventually reaching a saturation value, which is inherently determined by the discharge intensity. Additionally, as the discharge intensity (or time) continues to increase, a “convex–concave–convex” shape is observed on the fiber, providing a method for fabricating bat microresonators. These discoveries derived from our study contribute toward providing a strong foundation for the progressive enhancement and refinement of EAD-based SNAP fabrication techniques.
One-dimensional, multi-fluid model of the plasma-wall transition. II. Negative ions
Authors: Gyergyek T. , Kos L. , Dimitrova M. , Costea S. , Kovačič J.
Published: May 2024

The plasma-wall transition is investigated by a one-dimensional steady-state multifluid model, which was presented in detail in Part I [T. Gyergyek et al., AIP Adv. 14, 045201 (2024)]. In this work, the plasma-wall transition is analyzed for the case where the plasma consists of singly charged positive ions, electrons, and singly charged negative ions. When the temperature and initial density of the negative ions are varied, a transition between two types of solutions of the model is observed. We call them the low and high solution, with respect to the absolute value of the potential drop. When the density and temperature of the negative ions are above a critical value, the low solution is observed. As the mass of the positive ions increases, these critical values also increase, but only until the ion mass is below about 1000 electron masses. With larger ion masses, the critical density of the negative ions and the temperature no longer change. In the low solution, the potential drop in front of the sheath is determined by the negative ions and is smaller in absolute terms than in the case of the high solution, where the potential drop in front of the sheath is determined by the electrons. If the problem is analyzed on the pre-sheath scale, the transition between the low and high solution is very sharp. However, when the neutrality condition is replaced by the Poisson equation, this transition becomes blurred and the solutions of the model equations exhibit oscillations. The role of the smallness parameter is highlighted. It is shown how the initial electric field is determined. Deviation of the negative ion density profile from the Boltzmann relation is discussed.
Increased thermal conductivity and decreased electron–phonon coupling factor of the aluminum scandium intermetallic phase (Al3Sc) compared to solid solutions
Authors: Hirt Daniel , Islam Md. Rafiqul , Hoque Md. Shafkat Bin , Hutchins William , Makarem Sara , Lenox Megan K. , Riffe William T. , Ihlefeld Jon F. , Scott Ethan A. , Esteves Giovanni , Hopkins Patrick E.
Published: May 2024

Aluminum scandium alloys and their intermetallic phases have arisen as potential candidates for the next generation of electrical interconnects. In this work, we measure the in-plane thermal conductivity and electron–phonon coupling factor of aluminum scandium alloy thin films deposited at different temperatures, where the temperature is used to control the grain size and volume fraction of the Al3Sc intermetallic phase. As the Al3Sc intermetallic formation increases with higher deposition temperature, we measure increasing in-plane thermal conductivity and a decrease in the electron–phonon coupling factor, which corresponds to an increase in grain size. Our findings demonstrate the role that chemical ordering from the formation of the intermetallic phase has on thermal transport.
Combining computational screening and machine learning to explore MOFs and COFs for methane purification
Authors: Gulbalkan Hasan Can , Uzun Alper , Keskin Seda
Published: May 2024

Metal-organic frameworks (MOFs) and covalent organic frameworks (COFs) have great potential to be used as porous adsorbents and membranes to achieve high-performance methane purification. Although the continuous increase in the number and diversity of MOFs and COFs is a great opportunity for the discovery of novel adsorbents and membranes with superior performances, evaluating such a vast number of materials in the quickest and most effective manner requires the development of computational approaches. High-throughput computational screening based on molecular simulations has been extensively used to identify the most promising MOFs and COFs for methane purification. However, the enormous and ever-growing material space necessitates more efficient approaches in terms of time and effort. Combining data science with molecular simulations has recently accelerated the discovery of optimal MOF and COF materials for methane purification and revealed the hidden structure–performance relationships. In this perspective, we highlighted the recent developments in combining high-throughput molecular simulations and machine learning to accurately identify the most promising MOF and COF adsorbents and membranes among thousands of candidates for separating methane from other gases including acetylene, carbon dioxide, helium, hydrogen, and nitrogen. After providing a brief overview of the topic, we reviewed the pioneering contributions in the field and discussed the current opportunities and challenges that we need to direct our efforts for the design and discovery of adsorbent and membrane materials.
Magnetic vortex control with current-induced axial magnetization in centrosymmetric Weyl materials
Authors: Yang J. G. , Tserkovnyak Yaroslav , Pesin D. A.
Published: May 2024

We consider magnetic Weyl metals as a platform to achieve current control of magnetization textures with transport currents utilizing their underlying band geometry. We show that the transport current in a Weyl semimetal produces an axial magnetization due to orbital magnetic moments of the Weyl electrons. The associated axial magnetization can generate a torque acting on the localized magnetic moments. For the case of a magnetic vortex in a nanodisk of Weyl materials, this current-induced torque can be used to reverse its circulation and polarity. We discuss the axial magnetization torques in Weyl metals on general symmetry grounds and compare their strength to current-induced torques in more conventional materials.
Suppressing electron disorder-induced heating of ultracold neutral plasma via optical lattice
Authors: Wang Haibo , Yao Zonglin , Huang Haoyu , Sun Jianing , Zhou Fuyang , Wu Yong , Wang Jianguo , Chen Xiangjun
Published: May 2024

Disorder-induced heating (DIH) prevents ultracold neutral plasma into the electron strong coupling regime. Here, we propose a scheme to suppress electronic DIH via optical lattice. We simulate the evolution dynamics of ultracold neutral plasma constrained by three-dimensional optical lattice using the classical molecular dynamics method. The results show that for experimentally achievable conditions, electronic DIH is suppressed by a factor of 1.3, and the Coulomb coupling strength can reach 0.8, which is approaching the strong coupling regime. Suppressing electronic DIH via optical lattice may pave a way for the research of electronic strongly coupled plasma.
Crystal orientation control of a-plane AlN films on r-plane sapphire fabricated by sputtering and high-temperature annealing
Authors: Ogawa Yuki , Akaike Ryota , Hayama Jiei , Uesugi Kenjiro , Shojiki Kanako , Akiyama Toru , Nakamura Takao , Miyake Hideto
Published: May 2024

Face-to-face annealed and sputter-deposited aluminum nitride (FFA Sp-AlN) has potential in deep-ultraviolet light-emitting devices. Herein, the effects of the substrate off-cut angle (θsub) from an r-plane sapphire toward the c-axis projection direction and sputtering temperature (Tsp) on the crystallinity and surface morphology of a-plane AlN films are investigated. Increasing θsub in the minus-off direction, which occurs when the substrate surface approaches the sapphire c-plane, and lowering Tsp suppress the mixing of anomalous non-a-direction oriented domains. This reduced mixing enhances the surface flatness and crystallinity of a-plane FFA Sp-AlN. Moreover, the c-axis direction of the a-plane AlN film is inverted depending on the substrate off-cut angle. Ab initio calculations indicate that the interface stability between the r-plane sapphire substrate and the a-plane AlN film can explain the dependence of the crystallinity and c-axis orientation of FFA Sp-AlN on the surface off-cut of the r-plane sapphire.
Bioconvective peristaltic transport of hydromagnetic Sutterby nanofluid through a chemically activated porous channel with gyrotactic microorganisms
Authors: Ajithkumar M. , Meenakumari R. , Sucharitha G. , Vinodkumar Reddy M. , Javid Khurram , Lakshminarayana P.
Published: May 2024

The main target of this article is to analyze the role of activation energy and thermal radiation effects on the bioconvective peristaltic transport of Sutterby nanofluid in a two-dimensional flexible porous channel with heat and mass transfer. Also, the consequences of Hall current, heat source, and complaint wall properties along with an inclined magnetic field are taken into consideration. The proposed system of governing equations is simplified by using lubrication approximation and solved numerically using MATLAB's bvp5c solver. Further, numerical observations are analyzed to figure out the consequence of different physical parameters on the flow characteristics. According to the observations, it is identified that the Sutterby nanofluid velocity declines with the climb in the damping force parameter, while it enhances with the upsurge in the Darcy number. The Sutterby fluid temperature profile strengthens when the influence of the heat generation and Brinkman number increase, while it depicts the reverse effect with the elevation in the fluid parameter and radiation parameter. The temperature ratio and activation energy parameters were found to have a significant impact on the fluid concentration. The volume of the trapped fluid bolus is an enhancing function of the channel's non-uniformity parameter. Moreover, current work reveals its applicability to recognize the hemodynamic flow analysis and other biofluid movements in the human body and industrial sectors.
FROG: Exploiting all-atom molecular dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton’s QM/MM polarizable embedding scheme
Authors: Le Breton Guillaume , Bonhomme Oriane , Benichou Emmanuel , Loison Claire
Published: May 2024

Quantum mechanical/molecular mechanics (QM/MM) methods are interesting to model the impact of a complex environment on the spectroscopic properties of a molecule. In this context, a FROm molecular dynamics to second harmonic Generation (FROG) code is a tool to exploit molecular dynamics trajectories to perform QM/MM calculations of molecular optical properties. FROG stands for “FROm molecular dynamics to second harmonic Generation” since it was developed for the calculations of hyperpolarizabilities. These are relevant to model non-linear optical intensities and compare them with those obtained from second harmonic scattering or second harmonic generation experiments. FROG’s specificity is that it is designed to study simple molecular liquids, including solvents or mixtures, from the bulk to the surface. For the QM/MM calculations, FROG relies on the Dalton package: its electronic-structure models, response theory, and polarizable embedding schemes. FROG helps with the global workflow needed to deal with numerous QM/MM calculations: it permits the user to separate the system into QM and MM fragments, to write Dalton’s inputs, to manage the submission of QM/MM calculations, to check whether Dalton’s calculation finished successfully, and finally to perform averages on relevant QM observables. All molecules within the simulation box and several time steps are tackled within the same workflow. The platform is written in Python and installed as a package. Intermediate data such as local electric fields or individual molecular properties are accessible to the users in the form of Python object arrays. The resulting data are easily extracted, analyzed, and visualized using Python scripts that are provided in tutorials.
On the investigation of the aerodynamics performance and associated flow physics of the optimized tubercle airfoil
Authors: Pinapatruni Gangadhar V. R. , Duddupudi Mouli Bhaskar , Dash Sunil Manohar , Routray Aurobinda
Published: May 2024

In the present study, the evolutionary multi-objective optimization is employed to design the optimum amplitude and wavelength of sinusoidal leading-edge tubercles for the NACA0012 (National Advisory Committee for Aeronautics) airfoil to improve its aerodynamic performance at Reynolds number of 5.0 × 104 than that of the NACA0012 smooth leading-edge or baseline airfoil. Here, the optimum tubercle is found to have an amplitude of 11.71% and a wavelength of 25% of the baseline airfoil chord, respectively. Through a combination of in-house water tunnel experiments and numerical simulations, it is additionally established that the optimized tubercle airfoil exhibits superior lift and reduced drag characteristics compared to the baseline airfoil, particularly in the post-stall high angle of attack regime. Furthermore, it is noticed that the optimized tubercle design enhances the gap between large separation regions or stall cells along the tubercle airfoil span during the post-stall regime. Consequently, a more pronounced attached flow regime is developed between the consecutive stall cells, contributing to the tubercle airfoil's improved aerodynamic characteristics compared to the baseline airfoil. Our investigations also revealed that the formation and arrangement of the stall cells on the tubercle airfoil span are associated with a biased wake mechanism similar to the one observed in the wake of side-by-side arranged circular cylinders.
Shaping membrane vesicles by adsorption of hinge-like nanoparticles
Authors: Li Bing , Abel Steven M.
Published: May 2024

The adsorption of particles onto fluid membranes can lead to membrane-mediated interactions between particles that promote their self-assembly and lead to changes in membrane morphology. However, in contrast with rigid particles, relatively little is known about deformable particles, which introduce additional complexities due to the mutual deformability of the particles and the membrane. Here, we use Monte Carlo simulations and umbrella sampling to investigate the equilibrium properties of hinge-like particles adsorbed on membrane vesicles by means of anisotropic, attractive interactions. We vary the hinge stiffness, adhesive area fraction, patterning of adhesive regions, and number of adsorbed particles. Depending on their properties, isolated particles can conform to the vesicle, induce invaginations of the membrane, or exhibit multistable behavior in which they sample distinct classes of configurations due to the interplay of particle and membrane deformations. With two adsorbed particles, the properties of the particles can be used to promote aggregation, bias the particles to different parts of the vesicle, or stabilize the coexistence of both cases. With multiple adsorbed particles, the number and type control their organization and collective impact on the vesicle, which can adopt shapes ranging from roughly spherical to dumbbell-like and multi-lobed. Our results highlight how modifying the mechanical properties and patterned adhesion of deformable particles, which is possible with DNA nanotechnology, influences their self-assembly and the resulting shapes of both the particles and vesicles.
Flow and clogging behavior of a mixture of particles in a silo
Authors: Bhure Sukhada C. , Doshi Pankaj , Orpe Ashish V.
Published: May 2024

We investigated the clogging behavior observed during the flow of aspherical particles from a silo in the presence of spherical particles of different sizes and proportions using flow visualization experiments and discrete element method simulations. The size of the avalanche, essentially the tendency of clogging, exhibits non-monotonic dependence on the spherical particle volume fraction. For small enough content of spherical particles, the clogging tendency intensifies, whereas it reduces rapidly for high enough spherical particle fractions, with a minimum in between. The non-monotonic behavior is observed to persist over for different spherical particle sizes. The overall behavior is shown to arise due to competing effects between the localized total particle fraction influencing avalanche strength and mean size of the particles exiting the silo, influencing the probability of arch formation.
230-fold Enhancement of second-harmonic generation by coupled double resonances in a dolmen-type gold metasurface
Authors: Sun Xiaoteng , Gui Lili , Xie Hailun , Liu Yiwen , Xu Kun
Published: May 2024

Optical metasurfaces, artificial planar nanostructures composed of subwavelength meta-atoms, have attracted significant attention due to their ability to tailor optical nanoscale properties, making them a versatile platform for shaping light in both linear and nonlinear regimes. This paper reports on the realization of second harmonic generation (SHG) enhancement based on a dolmen-type gold metasurface containing two resonances. Nonlinear scattering theory is employed to numerically investigate the SHG enhancement phenomenon in the resonant metasurface. The periodic dolmen-type gold metasurface introduces a diffraction coupling effect between Fano resonance and surface lattice resonance (SLR), providing strong local-field enhancement and significantly enhancing the nonlinear effect. We analyze the influence of the coupling between Fano resonance and SLR on the SHG intensity and achieve a 230-fold enhancement in SHG intensity compared to the single resonance case by adjusting the periodicity of the metasurface. The SHG-enhanced gold metasurface may find applications in sensing, imaging, optical computing, and integrated nonlinear optics.
Temperature and pressure-induced excitation-dependent emissions in zero-dimensional hybrid metal halides with mixed halogens
Authors: Xu Bin , Li Qian , Han Jiang , Chen Zhongwei , Luo Zhishan , Chen Yulin , Quan Zewei
Published: May 2024

Zero-dimensional (0D) hybrid metal halides (HMHs) have emerged as a promising platform for exploring excitation-dependent multicolor luminescent materials owing to their diverse crystal structures and chemical compositions. Nevertheless, understanding the mechanism behind excitation-dependent emissions (EDEs) in 0D HMHs and achieving precise modulation remains challenging. In this work, the delicate regulations on the EDE of 0D (DMEDABr)4SnBr3I3 (DMEDA: N, N′-dimethylethylenediamine) with mixed halogens are achieved under low temperature and high pressure, respectively. The inhomogeneous halogen occupation at the atomic scale leads to the formation of Br-rich and I-rich SnX6 (X = Br, I) octahedra, which act as distinct luminescent centers upon photoexcitation. At low temperatures, the narrowed photoluminescence spectra could distinguish the individual emissions from different luminescent centers, resulting in a pronounced EDE of (DMEDABr)4SnBr3I3. In addition, the contraction and distortion of the luminescent SnX6 (X = Br, I) centers at high pressure further result in different degrees of emission shifts, giving rise to the gradual emergence and disappearance of EDE. This work elucidates the underlying mechanism of EDE in 0D HMHs and highlights the crucial role of halogens in determining the optical properties of metal halides.
Injection of anomalous-Hall current into a load circuit
Authors: Lacour D. , Hehn M. , Xu Min , Wegrowe J.-E.
Published: May 2024

The anomalous-Hall current injection is studied in a Hall device contacted to a lateral load circuit. This anomalous-Hall current is generated inside a Co75Gd25 ferrimagnetic Hall bar and injected into a lateral load circuit contacted at the edges. The current, the voltage, and the power are measured as a function of the magnetization states, the load resistance Rl, and the temperature. It is shown that (1) the resistance associated with the anomalous-Hall current flowing inside the Hall bar is that of the portion of the ferrimagnet located between the lateral contacts, (2) the role of the non-uniformity of the current due to the lateral contacts is small, (3) the maximum power efficiency of the current injection into the load circuit corresponds to the condition of the resistance matching of the two sub-circuits, and (4) this maximum power efficiency is of the order of the square of the anomalous-Hall angle. These observations are in agreement with recent predictions based on a non-equilibrium variational approach.
Physics-informed data-driven unsteady Reynolds-averaged Navier–Stokes turbulence modeling for particle-laden jet flows
Authors: Zhang Xinchen , Zhang Zhen , Chinnici Alfonso , Sun Zhiwei , Shi Javen Qinfeng , Nathan Graham J. , Chin Rey C.
Published: May 2024

With the assistance of deep learning (DL), we present a framework for predicting the turbulent eddy viscosity in unsteady Reynolds-averaged Navier–Stokes (URANS) simulations for particle-laden jet flows. We report a complete workflow from identifying the input flow and particle quantities in the training phase to predicting the flow and particle fields in the testing phase. The framework incorporates a deep neural network model, also known as multi-layer perceptrons, into the momentum equations of the Euler–Lagrangian gas–solid flow system. A data-driven, physics-informed DL approach was employed to predict the modeled turbulent eddy viscosity field, formulated as a function of the instantaneous flow and particle quantities. In the training phase, these regression functions were trained with an existing high-fidelity direct numerical simulation database. In the testing phase, the trained model was then used to predict the instantaneous local eddy viscosity to update the closure term and to solve the URANS equations iteratively. A series of round, turbulent particle-laden jets in a co-flow with various Stokes numbers were assessed, including those beyond the range of conditions employed for training. The proposed DL–URANS model was found to provide enhanced accuracy for predicting both flow and particle quantities when compared with the baseline URANS simulation.
Spectroscopic investigations on trivalent ruthenium ions in ruthenium perovskite oxide thin films
Authors: Nakata S. , Takahashi R. , Matsumoto R. , Zhang L.-F. , Sumida H. , Suzuki S. , Fujita T. C. , Kawasaki M. , Wadati H.
Published: May 2024

The d5 electron configurations under the crystal field, spin–orbit coupling, and Coulomb interaction give rise to a plethora of profound ground states. Ruthenium perovskite oxides exhibit a number of unconventional properties yet the Ru4+ state (4d4) is usually stable in these materials. In this regard, Ru3+ ions in perovskite materials are expected to be a mesmerizing playground of 4d5 electron configurations. Here, we report measurements of x-ray photoemission spectroscopy on recently synthesized perovskite ruthenium oxide thin films, LaRuO3 and NdRuO3, whose valence state of the ruthenium ions is trivalent. We discuss correlation and spin–orbit effects from the valence band spectra, in particular an additional peak structure around 3–5 eV, reminiscent of the so-called 3 eV peak observed in Sr2RuO4. Moreover, we find that the core-level spectra of these materials are quantitatively different from those in other ruthenates, which possess Ru4+ ions, e.g., SrRuO3. We therefore argue that the core level spectra of LaRuO3 and NdRuO3 are peculiar to the Ru3+ states.
Competitive nature of weak anti-localization and weak localization effect in Cr-doped sputtered topological insulator Bi2Se3 thin film
Authors: Gautam Sudhanshu , Maurya V. K. , Aggarwal Vishnu , Kumar Rahul , Singh Bheem , Awana V. P. S. , Yadav B. S. , Ojha S. , Ganesan R. , Kushvaha S. S.
Published: May 2024

In the present study, we have investigated the effect of magnetic Cr doping on the transport properties of a sputtered Bi2Se3 thin film on the SrTiO3 (110) substrate. The high-resolution x-ray diffraction and Raman spectroscopy measurements revealed the growth of rhombohedral Bi2Se3 thin films. Further electronic and compositional analysis was done by x-ray photoemission spectroscopy and Rutherford backscattering spectroscopy, and the x-value was estimated to be 0.18 in the Bi2−xCrxSe3 thin film. The variation in the resistivity with temperature (2–300 K) revealed the metallic nature in undoped Bi2Se3 up to 30 K and upturn resistivity below 30 K. The Cr-doped Bi2Se3 resistivity data show a traditional semiconducting nature up to 25 K and take an abrupt upturn resistivity below 25 K. The resistivity behavior of both samples was explained by adopting a model that consists of the total resistance, a combination of bulk and surface resistance in parallel. The bulk bandgap value determined by this method is obtained to be 256 meV in an undoped Bi2Se3 thin film. Magnetoconductance data of the undoped thin film revealed a weak anti-localization (WAL) effect, while the Cr-doped thin film showed a weak localization (WL) effect at low temperatures (<50 K). At low magnetic field and low temperature, a competing nature of WAL and WL effects was prominent in the Cr-doped film. A drastic increase in the electrical resistance suggests that Cr doping can significantly modify the electrical properties of Bi2Se3 thin films, which could have potential applications in futuristic devices.
Numerical study of bubble rise in plunging breaking waves
Authors: Liu Cheng , Hu Yiding , Yang Xiaobin , Hu Changhong
Published: May 2024

During the occurrence of plunging wave breaking, a substantial number of multi-scale bubbles are generated. These submerged bubbles persist for extended periods and contribute to the distinct acoustic and optical characteristics of the wake. In this study, we utilize high-fidelity simulations, combined with the adaptive refinement strategy to accurately track bubbles of multi-scales during the entire rising stage. Unlike previous studies, our emphasis is specifically on investigating the process of bubble rising during plunging wave breaking. Comprehensive statistical analyses are performed and characteristics of bubbles across various scales are also provided. Our findings reveal that most bubbles are concentrated in small scales, while larger bubbles rapidly ascend to the surface or undergo fragmentation into smaller bubbles through breaking cascades eventually. A distinct stratification of bubble size distribution along the depth direction is observed. Bubble velocity distributions are also important characteristics that are frequently neglected in studies of plunging wave breaking. Bubbles primarily spread along the spanwise direction, with a uniform distribution of velocity in this dimension. The velocity distribution of bubbles displays asymmetric tails that extend to higher velocities, and within this high-velocity regime, a power law behavior is observed, similar to the size distributions. Ultimately, the flow field is left with only a few small bubbles, moving at an exceedingly low speed. Furthermore, dynamical evolution of bubble rise in plunging wave breaking is described in detail and we analyze the intricate interactions between bubbles and turbulent flows. We observe that vortices are predominantly generated in close proximity to the bubbles, and bubble motion plays a crucial role in initiating turbulent flows. Simultaneously, these vortices contribute to the fragmentation of large-scale bubbles, transforming them into smaller counterparts due to turbulent fluctuations.
Microscopic pathways of transition from low-density to high-density amorphous phase of water
Authors: Ramesh Gadha , Mahajan Ved , Koner Debasish , Singh Rakesh S.
Published: May 2024

In recent years, much attention has been devoted to understanding the pathways of phase transition between two equilibrium condensed phases (such as liquids and solids). However, the microscopic pathways of transition involving non-equilibrium, non-diffusive amorphous (glassy) phases still remain poorly understood. In this work, we have employed computer simulations, persistence homology (a tool rooted in topological data analysis), and machine learning to probe the microscopic pathway of pressure-induced non-equilibrium transition between the low- and high-density amorphous (LDA and HDA, respectively) ice phases of the TIP4P/2005 and ST2 water models. Using persistence homology and machine learning, we introduced a new order parameter that unambiguously identifies the LDA- and HDA-like local environments. The LDA phase transitions continuously and collectively into the corresponding HDA phase via a pre-ordered intermediate phase during the isothermal compression. The local order parameter susceptibilities show a maximum near the transition pressure (P*)—suggesting maximum structural heterogeneities near P*. The HDA-like clusters are structurally ramified and spatially delocalized inside the LDA phase near the transition pressure. We also found manifestations of the first-order low-density to high-density liquid transition in the sharpness of the order parameter change during the LDA to HDA transition. We further investigated the (geometrical) structures and topologies of the LDA and HDA ices formed via different protocols and also studied the dependence of the (microscopic) pathway of phase transition on the protocol followed to prepare the initial LDA phase. Finally, the method adopted here to study the phase transition pathways is not restricted to the system under consideration and provides a robust way of probing phase transition pathways involving any two condensed phases at both equilibrium and out-of-equilibrium conditions.
Image-processing-based ultrasonic velocimetry development with high applicability to flows in microparticle dispersion
Authors: Yoshida Taiki , Wada Sanehiro , Furuichi Noriyuki
Published: May 2024

This study presents the development of a novel methodology, image-processing-based ultrasonic velocimetry (IPUV). For evaluating flow velocity, we present a new perspective utilizing image processing for spatiotemporal echo images instead of conventional ultrasonic analysis methods such as pulse compression and quadrature detection. In addition to traditional tracer particle size O(100 μm), IPUV has a high applicability for measuring the velocity of microparticle dispersion of the particle size O(1 μm) and dilute concentration O(0.001 wt.%). Velocimetry utilizing microparticles has significant merit: Velocity measurements can be conducted under conditions with less influence on the flow and higher traceability to fluid flow than the size conventionally used as a tracer particle. The accuracy and effectiveness of velocity analysis based on the IPUV principle are verified numerically and experimentally. In the experiments, IPUV was applied to Couette flow and stirring flow. In the former, the validity of the velocity profiling by IPUV was confirmed compared to the theoretical profiles of Couette flow. In the latter, IPUV measured velocity profiles in the stirring flows with different dispersions [spherical particle O(100 μm) and mica O(1 μm)]. Differences in the ability of dispersed particles to follow turbulent fluctuations in stirring water flow appeared in the frequency spectrum of IPUV velocity profiles.
Near-infrared imaging of heat transfer behavior between gadolinium and fluid during magnetization/demagnetization process of magnetocaloric effect
Authors: Nguyen The-Anh , Kakuta Naoto , Uchida Ken-ichi , Nagano Hosei
Published: May 2024

This paper reports on the application of a near-infrared (NIR) imaging system for visualizing heat transfer dynamics from a bulk gadolinium (Gd) sample to the surrounding water during the magnetization/demagnetization process of the magnetocaloric effect (MCE). The suggested approach relied on the spectral variation in water absorption band at 1150 nm wavelength within the NIR spectrum. An experimental setup integrated a telecentric uniform-illumination system, a halogen lamp, and an NIR camera to enable real-time monitoring of a single magnetization and demagnetization cycle induced by an external magnetic field, which was generated by a permanent-magnet-based magnetic circuit. Two-dimensional absorbance images captured during this cycle clearly depicted the thermal energy generated by the MCE in water. Furthermore, an analysis of the thermal boundary layer and the quantification of heat transfer from Gd to water provided insights into the dynamics over time. These results indicated the potential of our NIR imaging techniques in optimizing thermal–fluid interactions within MCE systems, thereby improving the design and efficiency of magnetic refrigeration systems.
Broadband noise-like pulses in fiber laser based on a filter
Authors: Meng Yichang , Ougrige Oumaima , Bessin Florent , Salhi Mohamed , Sanchez François
Published: May 2024

We report on the generation of broadband noise-like pulses in an Er:Yb doped fiber laser with a tunable bandpass filter in the cavity. Benefit from the filter enhanced spectrum at shorter wavelengths and Raman effect assisted spectrum at longer wavelengths, an excellent flat spectrum with a 3 dB spectral width of 130.2 nm is obtained. This is different from previous traditional methods to achieve broadband noise-like pulses, and the results also represent the widest spectrum directly obtained in an erbium doped fiber laser without the use of any special fibers within the cavity.
Gravitational modes of convection in water liquid bridges
Authors: Aljanadi Ahmed , Oliveira Mónica S. N. , Lappa Marcello
Published: May 2024

The modes of pure buoyant (thermogravitational) convection emerging in a liquid bridge of water (Pr ≅ 6.1), uniformly heated from below and cooled from above are investigated experimentally by means of a microscale facility, a related laser-cut technique (used to illuminate isodense tracers dispersed in the liquid) and a particle image velocimetry method. In particular, the following conditions are examined: aspect ratio (A = length/diameter) in the range 0.3 ≤ A ≤ 0.9, volume ratio 0.7 ≤ S ≤ 1.3, and Rayleigh number spanning the interval from the initial quiescent state up to the development of oscillatory motion. A multitude of patterns is obtained, revealing the coexistence of different branches of steady flows in the space of parameters in the form of multiple solutions. These can evolve into oscillatory states featured by disturbances with the characteristics of standing waves (a kind of rocking motion). The analysis largely relies on a novel approach where the position of the center of the main vortex of buoyant nature established in the liquid bridge is carefully monitored in space. The related trajectory is used to discern the flow spatial degrees of freedom, which are progressively enabled as the temperature difference is increased. It is shown that the effective volume of liquid held by surface tension between the hot and cold walls can have an appreciable impact on the onset of unsteadiness and the related oscillation frequency.
Photoluminescence measurement of ruby excited by duty ratio-controlled pulse light-emitting diodes (LED) light source
Authors: Hitomi Ami , Katsumata Toru , Aizawa Hiroaki
Published: May 2024

Photoluminescence (PL) spectra from ruby were obtained using a highly stable LED light source, employing pulse width modulation technique for excitation. The temporal variation in PL intensity caused by the increasing temperature of the LED used for excitation can be mitigated by adjusting the duty ratio (%) of the pulsed LED light to below 10% for cooling the LED. Stable PL spectra measurements were achieved with a duty ratio of less than 10% using a duty ratio-controlled pulsed LED light source, as temperature fluctuations in LED light intensity are minimized at duty ratios less than 10%. Furthermore, fluctuations in the measured PL intensity were diminished by setting the frequency of the pulsed LED light source to greater than 1 kHz. This method enables more reliable, cost-effective, and stable PL measurements for material characterization in semiconductors, photonics, and nanotechnology.
Wire coating and melt elasticity
Authors: Poungthong P. , Saengow C. , Kolitawong C. , Giacomin A. J.
Published: May 2024

In modern wire coating, the polymer is dragged through a round cylindrical die. Onto this drag flow, we superpose pressure-driven extrusion. We devote this paper to analyzing this extrusion in eccentric cylindrical coordinates. We find that, when the molten polymer is an elastic liquid, a recentring force, Fx, is exerted on the wire. This is how the wire is then coated concentrically. The lateral force acting on the wire thus matters. This also explains why the wire cannot be coated with Newtonian or nearly Newtonian polymer. The axial force on the wire, Fz, is always positive, and we find that the die eccentricity decreases Fz. This determines the required pulling force. Thus, the axial force acting on the wire also matters. We follow the method of Jones (1964) called polymer process partitioning, to obtain the coating velocity profile, v⌣z(ξ,θ), from which we get the coating thickness profile. We integrate this profile to get the flow rate, and thus, the average thickness. We also obtain the stresses in the extrudate. We include one detailed dimensional worked example to help engineers design coating dies.
Exogenous zinc application mitigates negative effects of salinity on barley (Hordeum vulgare) growth by improving root ionic homeostasis
Authors: Khan Waleed Amjad , Penrose Beth , Yun Ping , Zhou Meixue , Shabala Sergey
Published: May 2024

Detrimental effects of salinity could be mitigated by exogenous zinc (Zn) application; however, the mechanisms underlying this amelioration are poorly understood. This study demonstrated the interaction between Zn and salinity by measuring plant biomass, photosynthetic performance, ion concentrations, ROS accumulation, antioxidant activity and electrophysiological parameters in barley (Hordeum vulgare L.). Salinity stress (200 mM NaCl for 3 weeks) resulted in a massive reduction in plant biomass; however, both fresh and dry weight of shoots were increased by ~30% with adequate Zn supply. Zinc supplementation also maintained K+ and Na+ homeostasis and prevented H2O2 toxicity under salinity stress. Furthermore, exposure to 10 mM H2O2 resulted in massive K+ efflux from root epidermal cells in both the elongation and mature root zones, and pre-treating roots with Zn reduced ROS-induced K+ efflux from the roots by 3–4-fold. Similar results were observed for Ca2+. The observed effects may be causally related to more efficient regulation of cation-permeable non-selective channels involved in the transport and sequestration of Na+, K+ and Ca2+ in various cellular compartments and tissues. This study provides valuable insights into Zn protective functions in plants and encourages the use of Zn fertilisers in barley crops grown on salt-affected soils.
Melatonin administration during the first half of pregnancy improves physiological response and reproductive performance of rabbits under heat stress conditions
Authors: Hashem Nesrein M. , Abdelnaby Elshymaa A. , Madkour Mahmoud , El-Sherbiny Hossam R.
Published: May 2024

Context Melatonin may have a heat-stress-alleviating role during pregnancy. Aims To investigate the effects of melatonin administration during the first half of pregnancy on heat-tolerance capacity and pregnancy outputs of naturally heat-stressed rabbits. Methods Forty female rabbits were stratified equally into two experimental groups and daily received 1 mg melatonin/kg body weight or not (control) for 15 consecutive days post-insemination. Heat tolerance indices, hormone profile, ovarian structures, and fetal loss were determined. Key results Treatment with melatonin significantly decreased respiration rate and rectal temperature, improved concentrations of nitric oxide, and tended to decrease malondialdehyde concentrations (P = 0.064) compared to control. Melatonin treatment significantly increased concentrations of high-density lipoprotein, oestradiol, and progesterone compared to control. No significant differences in the numbers of visible ovarian follicles, corpora lutea, and total implantation sites on day 18 of pregnancy were observed between experimental groups. However, melatonin treatment significantly reduced the number of absorbed implantation sites and significantly improved amniotic fluid volume and conception rate compared to control. Conclusions Melatonin administration during the first half of pregnancy can improve reproductive performance of heat-stressed female rabbits. Implications Melatonin can improve fetal survivability via improving heat-tolerance capacity of does and steroidogenesis.