bluuebunny/crossref_metadata_2025 huggingface dataset:
Numerical modeling of cutting force and chip formation during water Jet Assisted Machining of Ti17 based on SPH/FEM method
Authors: Ben Belgacem Ikram , Cheikh Lotfi , Khochtali Haithem , Barhoumi El Manaa , Ben Salem Wacef
Published: May 2024

In this paper, we conduct a numerical simulation of a water jet-assisted machining process for a titanium alloy Ti17, with a focus on addressing the Fluid-Structure Interaction (FSI) problem arising during lubricated machining. The proposed coupling strategy employs the Smoothed Particle Hydrodynamics (SPH) free mesh method, coupled with an ordinary Lagrangian mesh. The SPH method is utilized to model the water jet, while the Lagrangian Finite Element Method (FEM) is employed to represent the workpiece and the tool. The hydrodynamic behavior of water is captured using the linear Huguenot form of the Mie-Greisen equation of state. Additionally, the Johnson-Cook constitutive law is applied to describe the thermoviscoplastic behavior of the titanium alloy. It is essential to note that thermal and mechanical effects were decoupled in this study. The investigation focuses on cutting force and chip morphology under two distinct cutting regimes: Dry Machining (DM) and Water Jet Assisted Machining, specifically with conventional lubrication (CL). The numerical simulations are compared with experimental results found in the literature, with an emphasis on cutting force and chip morphology. The obtained simulation results exhibit a favorable correlation with the experimental data. All numerical simulations were conducted using ABAQUS version 6.14.
Rheological, mechanical, and morphological behaviour of polypropylene composites reinforced with ultrafine kaolinite particles
Authors: Meziane Ouahiba , Bensedira Abderrahim , Guessoum Melia
Published: May 2024

To develop charge/matrix interactions and improve the rheological, mechanical, and morphological performances of the matrix polypropylene, PP/kaolinite composites were prepared using the melt intercalation method at 190 °C. The rheological and mechanical properties of polypropylene/kaolin composites have been evaluated at various concentrations of untreated and/or treated kaolin. It was shown that the melt flow index (MFI) varies visibly but slightly compared to that of the matrix with increasing kaolin content. Furthermore, when the kaolin loading is enhanced, the apparent shear viscosity (ηapp) of the composites increases compared to the matrix and decreases with the increase in the shear rate (γapp). Also, while the shear stress (τapp) is reduced, the flow curve shifts upwards with increasing the kaolin concentration. The systems obeyed the power-law model in shear stress-shear rate variations and were shear thinning as power-law index (n) values increased with kaolin content. Moreover, the mechanical properties of the obtained composites were significantly affected by the dispersion of the filler into the matrix and by the weak interactions at the interface PP/kaolinite. SEM micrographs show a poor dispersion of the nanoclay within the polypropylene matrix and the formation of agglomerates with different sizes.
Electrochemical Nitro Reduction to Amines Using Pinacolborane as Reducing Agent
Authors: Shen Zhengjia , Tu Jia-Lin
Published: May 2024

Nitroaromatic compounds, as hazardous industrial pollutants, have long been extensively studied for their conversion into high-value aromatic amines. However, most of these transformation reactions require either transition-metal catalysts or high-temperature conditions. Therefore, we report an electrochemical approach utilizing pinacolborane as the reducing agent for the efficient reduction of nitroaromatic compounds. The reaction is characterized by its mild conditions and simplicity of operation, and it demonstrates excellent substrate adaptability and functional group compatibility.
The great health challenge: levelling up the U.K.
Authors: Mayhew Les , Chan Mei Sum , Cairns Andrew J. G.
Published: May 2024

Around the world, there are persistent and growing health inequalities both between and within countries. The U.K. Government’s flagship policy for addressing inequalities is called ‘Levelling Up’. One of its missions is to narrow the gap in healthy life expectancy (HLE) between the healthiest and unhealthiest areas in England and to improve overall HLE by 5 years by 2035. We show that smoking is one of the major causes of health inequalities. We find a 17-year difference in HLE between local authorities, and that the number of years spent in ill health tended to be greatest in areas with the highest mortality from smoking-related disease. Our aim is to see if the 5-year target could be achieved, assuming there were drastic controls on the sale and consumption of tobacco. We show that never smokers enjoy six more years of good health at age 20 than current or ex-smokers. A complete ban on smoking would lead to a 2.5-year improvement in HLE, and also lengthen the working lives of both men and women. We conclude that while a complete tobacco ban is significant, other public health measures are needed for the full achievement of the target. The paper briefly considers wider issues and suggestions for further research and its international significance.
Impact of the digital transformation of Chinese new energy vehicle enterprises on innovation performance
Authors: Liu Wei , Wang Zhengbin , Shi Qiwei , Bao Siqintana
Published: May 2024

Digital transformation involves fundamental changes in business models, organizational structure, corporate culture, and even the way in which customers interact. Chinese new energy vehicle companies hope to achieve faster response speeds, greater operational efficiency, and better user experiences through digital transformation. Therefore, exploring how to successfully carry out digital transformation and its true impact on enterprise performance is of profound significance. The digital transformation of enterprises requires the embedding and absorption of network relationships to acquire and transform external resources and technologies, which further affects the innovation performance of these enterprises. This article introduces absorptive capacity as a mediating variable and network embeddedness as a moderating variable to construct a theoretical model, attempting to elucidate the mechanism of the impact of digital transformation on enterprise innovation performance. By combining theoretical and empirical analysis, the research hypotheses are tested, and the results show that 1. digital transformation (digital technology, digital products, and digital platforms) has a positive impact on enterprise innovation performance, 2. absorptive capacity plays a significant mediating role in the relationship between digital transformation and enterprise innovation performance, and 3. the embeddedness of network relationships has a significant positive moderating effect on the digital transformation of enterprises and their innovation performance. This article delves into an effective approach involving digital transformation, absorptive capacity, and enterprise innovation performance; analyses the moderating effect of network embeddedness; and concludes that the research findings have implications for the development of related research on digital transformation and enterprise innovation. The timely activities of enterprises to effectively carry out digital transformation, as well as the formulation of relevant policies, have positive significance.
Homological mirror symmetry of toric Fano surfaces via Morse homotopy
Authors: Nakanishi Hayato
Published: May 2024

Strominger–Yau–Zaslow (SYZ) proposed a way of constructing mirror pairs as pairs of torus fibrations. We apply this SYZ construction to toric Fano surfaces as complex manifolds, and discuss the homological mirror symmetry, where we consider Morse homotopy of the moment polytope instead of the Fukaya category.
Hyperspectral imaging of a microwave argon plasma jet expanding in ambient air
Authors: Khazem Fatima , Durocher-Jean Antoine , Hamdan Ahmad , Stafford Luc
Published: May 2024

Non-equilibrium plasmas at atmospheric pressure are often characterized by optical emission spectroscopy. Despite the simplicity of recording optical emission spectra in plasmas, the determination of spatially resolved plasma properties (e.g., electron temperature) in an efficient way is very challenging. In this study, spatially resolved optical images of a microwave argon plasma jet expanding into the ambient air are recorded over a wide range of wavelengths using a hyperspectral imaging system based on a tunable Bragg-grating imager coupled to a scientific complementary metal–oxide–semiconductor camera. The system’s working principle is detailed, along with the necessary post-processing steps. Further analysis of the spatial–spectral data, including the Abel transform used to determine 2D radially resolved spatial mappings, is also presented. Overall, the proposed approach provides unprecedented cartographies of key plasma parameters, such as argon and oxygen line emission intensities, Ar metastable number densities, and argon excitation temperatures. Considering that all these plasma parameters are obtained from measurements performed in a reasonable time, Bragg-grating-based hyperspectral imaging constitutes an advantageous plasma diagnostic technique for detailed analysis of microwave plasma jets used in several applications.
Electron irradiation effects on the optical properties of Hf- and Zn-doped β-Ga2O3
Authors: Remple Cassandra , Huso Jesse , Weber Marc H. , McCloy John S. , McCluskey Matthew D.
Published: May 2024

Optical and electrical properties of Hf- and Zn-doped β-Ga2O3 samples, which are n-type and insulating, respectively, were altered via high-energy electron irradiation at 2.5 or 0.5 MeV. The β-Ga2O3:Hf samples irradiated with 2.5 MeV electrons experienced a color change from blue to yellow and a large drop in conductivity, attributed to the creation of gallium vacancies, which compensate donors. This irradiation resulted in the absence of free carrier absorption and the presence of Cr3+ photoluminescence (PL). PL mapping prior to irradiation revealed optically active ZnO precipitates that formed during the growth of β-Ga2O3:Zn. These precipitates have a 384 nm (3.23 eV) stacking fault emission in the core; in the outer shell of the precipitate, the PL blue-shifts to 377 nm (3.29 eV) and a broad defect band is observed. After 0.5 MeV electron irradiation, the defect band broadened and increased in intensity. The blue PL band (435 nm) of β-Ga2O3 was enhanced for both Hf- and Zn-doped samples irradiated with 0.5 MeV. This enhancement is correlated with an increase in oxygen vacancies.
Synchrotron radiation x-ray topography applied to nitride semiconductor crystals
Authors: Zhang Qirui , Lv Songyang , Liu Lei , Wang Shouzhi , Wang Guodong , Yu Jiaoxian , Lv Lingshuang , Xu Xiangang , Zhang Lei
Published: May 2024

Gallium nitride (GaN) and aluminum nitride (AlN), as examples of third-generation semiconductors, have attracted significant interest due to their remarkable physical attributes, including a wide bandgap, high breakdown voltage, exceptional chemical stability, and high thermal conductivity. These characteristics render GaN and AlN highly promising for use in power and (opto)-electronic devices. Consequently, there is a growing demand for high-quality GaN and AlN crystals on the centimeter scale. As the dislocation density in these materials decreases, the need for a reliable method of dislocation characterization becomes more pressing. Synchrotron radiation x-ray topography (SR-XRT) has emerged as a superior, nondestructive technique for the precise characterization of crystal defects. This review briefly introduced the principle of XRT, and its application in the analysis of dislocations in GaN and AlN crystals is summarized. By examining the relationship between the SR-XRT image contrast and the Burgers vectors of dislocations, it is possible to categorize wafer dislocations and determine the magnitude and direction of Burgers vectors. Additionally, SR-XRT facilitates the analysis of interactions between dislocations in GaN and AlN crystals. These analyses are instrumental in advancing the development of superior crystals. This review concludes with a discussion of the current challenges faced by SR-XRT and a projection of its future applications in characterizing third-generation semiconductor crystal materials. This review offers significant guidance for the characterization of nitride crystal defects using SR-XRT.
Atomistic-level analysis of nanoindentation-induced plasticity in arc-melted NiFeCrCo alloys: The role of stacking faults
Authors: Domínguez-Gutiérrez F. J. , Olejarz A. , Landeiro Dos Reis M. , Wyszkowska E. , Kalita D. , Huo W. Y. , Jozwik I. , Kurpaska L. , Papanikolaou S. , Alava M. J. , Muszka K.
Published: May 2024

Concentrated solid solution alloys (CSAs) have attracted attention for their promising properties; however, current manufacturing methods face challenges in complexity, high costs, and limited scalability, raising concerns about industrial viability. The prevalent technique, arc melting, yields high-purity samples with complex shapes. In this study, we explore nanoindentation tests at room temperature where arc-melted samples exhibit larger grain sizes, diminishing the effects of grain boundaries on the results. Motivated by these findings, our investigation focuses on the atomistic-level exploration of plasticity mechanisms, specifically dislocation nucleation and propagation during nanoindentation tests. The intricate chemistry of NiFeCrCo CSA influences pile-ups and slip traces, aiming to elucidate plastic deformation by considering both pristine and pre-existing stacking fault tetrahedra. Our analysis scrutinizes dynamic deformation processes, defect nucleation, and evolution, complemented by stress–strain and dislocation densities–strain curves illustrating the hardening mechanism of defective materials. Additionally, we examine surface morphology and plastic deformation through atomic shear strain and displacement mappings. This integrated approach provides insights into the complex interplay between the material structure and mechanical behavior, paving the way for an enhanced understanding and potential advancements in CSA applications.
Homogenized color-gradient lattice Boltzmann model for immiscible two-phase flow in multiscale porous media
Authors: Liu Yang , Feng Jingsen , Min Jingchun , Zhang Xuan
Published: May 2024

In this paper, a homogenized multiphase lattice Boltzmann (LB) model is established for parallelly simulating immiscible two-phase flow in both solid-free regions (pore scale) and porous areas (continuum scale). It combines the color-gradient multiphase model with the Darcy–Brinkman–Stokes method by adding a term that includes surface force and drag force of porous matrix to multiple-relaxation-time LB equation in moment space. Moreover, an improved algorithm is proposed to characterize and implement the apparent wettability in the locally homogenized porosity field. Validations and test cases are given to demonstrate the accuracy and robustness of this new model, as well as its applicability for trans-scale fluid simulation of transport and sorption behavior from porous (Darcy flow) area to free (Stokes flow) area. For practicality, the two-phase seepage flow in a composite rock structure with multiscale pores is simulated by this new model, and the effects of viscosity ratio and wettability on the displacement process are discussed.
Investigation of nonlocal granular fluidity models using nuclear magnetic resonance
Authors: Clarke Daniel A. , Poata Joseph , Galvosas Petrik , Holland Daniel J.
Published: May 2024

Nonlocal rheology models describe features in granular flows, such as scale dependence and flow below the yield point, that are not captured by local rheology models. It has been proposed that these features may be described by the transport of a property known as the granular fluidity. In this article, we studied an annular Couette shear cell of lobelia seeds using nuclear magnetic resonance to collect detailed measurements of the velocity distribution and volume fraction. These data were used to study nonlocal granular rheology models. We found that the nonlocal granular fluidity model was capable of accurately describing the decay in the velocity profile along the shear gradient direction. We also measured the dimensionless fluidity and validated the general form of the relation between this quantity and the volume fraction.
The water bimodal inherent structure and the liquid–liquid transition as proposed by the experimental density data
Authors: Mallamace Francesco , Mallamace Domenico
Published: May 2024

The bulk water density data are studied in a very large temperature–pressure range, from stable liquid to glass in the frame of water polymorphism. Because this thermodynamic variable evidences a crossover T*, above which the hydrogen bond (HB) is unable to arrange tetrahedral networks, the T-dependence of their isobars was considered. Such an analysis also shows pressure, P*, around which their thermal behaviors are completely different: concave below P* (with maxima and minima) and convex above (without extremes). Having ρ’s measured values of the bimodal structures of the liquid phase, HDL (ρHDL), made of not-bonded monomers (ρNHB) and partially bonded dimers plus trimers (ρNHB), and LDL tetramers (ρLDL) the isobars of the relative distributions [W(P, T)] of the three species (WLDL, WPHB, and WNHB) have been evaluated. The results were studied by means of a logistic function (LF) that details the evolutions of the relative polpulations of the water LDL and HDL phases by decreasing T (for the isobars, in the range of 0.1–400 MPa). The LFs analysis obtained by proposing a full connection between liquid water from its supercooled metastable phase to the stable up to the boiling temperature identifies the Widom line quite satisfactorily and fully supports the presence of the liquid–liquid critical point in the deep supercooled region, located at about 190 K and in the range 200 > P > 180 MPa.
A multiscale hydro-elastoplastic model for large floating structures in two-dimension
Authors: Jin Zijian , Fang Hui , Liu Yong
Published: May 2024

A novel fluid–structural model was presented considering hydro-elastoplastic behavior, which coupled multiple hydro-structural-material scales. A large floating sandwich structure (LFSS) comprising upper and lower high-strength panels and a low-weight core was considered as an illustration. The mesoscale characteristics of materials and elastoplastic parameters of the low-weight perforated components were coupled by utilizing the representative volume element (RVE) method. Through the parameterized relations from RVE analysis, the flexure dynamics model for the floating sandwich structure with an equivalent homogenized core was deduced. With the flexure dynamic equation, yield criterion, and potential flow model, a multiscale hydro-elastoplasticity theoretical model was established, which combined the wave action, hierarchical component, material configuration, and structural behavior. The dynamic responses of the large floating structure under fluid–structure interaction were calculated, and the internal deformation (i.e., core strain) was set as the determining variable for the plastic region. The initially intact floating structure became hinged multi-modules after plastic cracking, and the high-strength layers at the cracking positions behaved as flexible hinges, which was defined as a hydro-elastoplastic process. The elastoplastic state evolutions of the LFSSs with different structural parameters and material configurations were solved for practical optimization. The results indicated that the multiscale coupled calculation model can provide great scientific guidance for designing large floating structures.
Folding of a growing hyperelastic sheet in a viscous fluid
Authors: Hayashi Togo , Takeda Hironori , Ishida Shunichi , Imai Yohsuke
Published: May 2024

Understanding the growth-induced deformation of soft materials in viscous environments is important for a variety of problems in nature and engineering. Here, we focus on the fluid–structure interaction of a hyperelastic sheet growing in an incompressible Newtonian fluid in the Stokes flow regime. We develop a computational framework for simulating this problem, where the isogeometric boundary integral method is used with the Kirchhoff–Love shell formulation and elastic–plastic decomposition of the deformation gradient tensor. We quantify the relative effects of the growth rate, the sheet bending rigidity, and the fluid viscosity on the fold formation and development of the growing sheet. Our results suggest that the viscous resistance to in-plane deformation promotes fold formation, whereas the viscous resistance to out-of-plane deformation suppresses fold development. We also investigate the effects of the thickness and aspect ratio of the rectangular sheet. Finally, we compare the growth- and prestrain-induced deformations to find a common behavior of sheets under viscous environments.
Ab initio dispersion potentials based on physics-based functional forms with machine learning
Authors: Villot Corentin , Lao Ka Un
Published: May 2024

In this study, we introduce SAPT10K, a comprehensive dataset comprising 9982 noncovalent interaction energies and their binding energy components (electrostatics, exchange, induction, and dispersion) for diverse intermolecular complexes of 944 unique dimers. These complexes cover significant portions of the intermolecular potential energy surface and were computed using higher-order symmetry-adapted perturbation theory, SAPT2+(3)(CCD), with a large aug-cc-pVTZ basis set. The dispersion energy values in SAPT10K serve as crucial inputs for refining the ab initio dispersion potentials based on Grimme’s D3 and many-body dispersion (MBD) models. Additionally, Δ machine learning (ML) models based on newly developed intermolecular features, which are derived from intermolecular histograms of distances for element/substructure pairs to simultaneously account for local environments as well as long-range correlations, are also developed to address deficiencies of the D3/MBD models, including the inflexibility of their functional forms, the absence of MBD contributions in D3, and the standard Hirshfeld partitioning scheme used in MBD. The developed dispersion models can be applied to complexes involving a wide range of elements and charged monomers, surpassing other popular ML models, which are limited to systems with only neutral monomers and specific elements. The efficient D3-ML model, with Cartesian coordinates as the sole input, demonstrates promising results on a testing set comprising 6714 dimers, outperforming another popular ML model, component-based machine-learned intermolecular force field (CLIFF), by 1.5 times. These refined D3/MBD-ML models have the capability to replace the time-consuming dispersion components in symmetry-adapted perturbation theory-based calculations and can promptly illustrate the dispersion contribution in noncovalent complexes for supramolecular assembly and chemical reactions.
New curved boundary scheme in lattice Boltzmann framework for simulation of dissolution through nonlinear heterogeneous reactions in general form
Authors: Izadi Ahad , Mohebbi Ali , Feili Monfared Amir Ehsan
Published: May 2024

Nonlinear heterogeneous reactions are important for simulating dissolution as they involve reactant adsorption, reaction, and product desorption, leading to nonlinear behavior. This study proposes a new curved reaction boundary condition in general form in the lattice Boltzmann framework. This method calculates the unknown distribution functions and the interface concentration using extrapolated distribution functions on actual interface position. Various analytical benchmarks were used to compare this method's accuracy with two available schemes, including Kashani et al. and Huber et al. methods. According to the results, in the simulation of reactant transport on straight and curved surfaces with and without dissolution, errors obtained by the proposed method did not exceed 1.7% in different conditions, while errors of the two other methods were up to 50%. The convergence rate of different methods was determined, and based on the results, the convergence rate of the proposed method was second-order, while the corresponding values for the two other methods were only first-order. The results of different root-finding methods in the proposed method including Bisection, Newton-Raphson, and linear approximation were compared to determine the interface concentration. The results showed that Bisection errors did not exceed 1%. At the same time, using Newton-Raphson and linear approximation led to errors of 12.9% and 25.3%, respectively. The effect of reaction orders on an obstacle dissolved under reactive flows in a channel was investigated. According to the results, in each Damköhler number, increasing the reaction order decreased the dissolution rate; however, increasing the Damköhler number significantly restricted the effect of orders.
Asymmetric aerosol volume transmission: A computational approach toward infection prevention efficiency of face masks
Authors: de Winter D. A. Matthijs , Verhoeven Frank M. , Vermeulen Lucie C. , Duizer Erwin , Bartels Alvin A. , de Roda Husman Ana Maria , Schijven Jack F.
Published: May 2024

Wearing face masks is considered as one of the infection prevention and control options for respiratory viruses (e.g., SARS-CoV-2) that acts by blocking virus-laden aerosols. It is generally thought that aerosol blockage occurs when air passes through the face mask fabric. We calculated air flows through face masks and through peripheral leakages, based on reported breathing resistance values of face masks (FFP/N95, surgical masks, and cloth masks) and found that most of the inhaled and exhaled air passes through these peripheral leakages. Nevertheless, face masks remain effective as an infection prevention option, because additional calculations showed that the majority of aerosol volume cannot follow the tortuous path of air around the face mask. The filtering efficiency through the peripheral leakages can be described as a function of breathing conditions, vocal activities, the leakage geometry and tortuous pathway, aerosol properties (diameter, composition) and ambient conditions (e.g., evaporation, ventilation). Inclusion of these parameters explains the asymmetric filtering behavior of face masks, i.e., the risk of infection from person A to person B does not necessarily equal the risk of infection from person B to person A. Our findings explain thus why masking an infectious person is more effective than masking an exposed person. Establishing that the tortuous pathway of air around the face mask is the sole contributor to face mask efficiency opens new opportunities for designing safer face masks.
Thermal expansion, lattice vibration, and isotope effect on hydrogen diffusion in BCC Fe, Cr, and W from first-principles calculations
Authors: Zhou Ziling , Nie Rui , Wang Yu , Guo Jingni , Xie Feng , Cao Jianzhu , Wen Yanwei , Shan Bin
Published: May 2024

Fe, Cr, and W are important elements in the alloys of in-reactor materials and operate in high-temperature environments with thermal expansion. Their tritium-impeding abilities are crucial to the radiation safety of various nuclear reactors. In this study, first-principles density functional theory is combined with quasi-harmonic approximation to evaluate factors that can affect the interstitial formation energy and diffusion coefficient of hydrogen isotopes in body-centered cubic (BCC) Fe, Cr, and W, including thermal expansion, metal host lattice vibrations, phonon density-of-states (pDOS) coupling diffusing atoms, and isotope effects. Calculation results indicate that the interstitial formation energy decreases as lattice expansion increases, whereas the jump barriers remain almost constant. Thermal expansion, host lattice vibration, and pDOS coupling minimally affect the diffusion coefficients of hydrogen isotopes in Fe, Cr, and W. The diffusion coefficient ratios between hydrogen isotopes are higher than the inverse ratio of the square root of the isotope mass at low temperatures. However, they decrease to the inverse ratio of the square root of the isotope mass at temperatures exceeding 800 K. This study comprehensively investigates factors that affect the diffusion coefficients of hydrogen isotopes in BCC Fe, Cr, and W, thus providing a firm theoretical foundation for predicting the diffusion coefficients of tritium at different temperatures using protium/deuterium diffusion coefficients.
Experimental study on the characteristics of buoyant gas flow produced by vertical gas leakage in tunnels under natural ventilation
Authors: Du Tao , Lu Xianyuan , Yu Haoyue , Wu Tengfei , Yang Dong
Published: May 2024

In recent years, there have been reports of gas leakage accidents during the transportation of gas tankers in tunnels, potentially leading to destructive explosions. However, the overall distribution of gas concentration in the entire tunnel has not been experimentally investigated. This study presents a series of brine-water experiments to explore the characteristics of buoyant gas flow in tunnel leakage accidents. The gas distribution is categorized into a stably stratified longitudinal current and a source region. Gas concentration in the tunnel is correlated with the dimensionless reduced gravity, which increases with the source buoyancy flux but decreases with the source release velocity. A model is proposed to estimate the maximum gas concentration of the longitudinal current. The spatial range of the explosive region is influenced by the source buoyancy flux and the leakage velocity. However, the propagation velocity of the longitudinal current is primarily controlled by the source buoyancy flux, with the source momentum having a negligible effect. The thickness of the longitudinal gas flow, δ, linearly decreases from the source region to the tunnel ends. A dimensionless parameter, λ, is introduced to characterize δ. When λ < 1.25, δ rapidly increases with λ and then remains approximately constant when λ exceeds 1.25. This study contributes to a better understanding of buoyant gas flow in tunnel leakage accidents.
Effect of carbon coating on surface structure in annealing process of high-dose implanted/annealed SiC
Authors: Ishiji Kotaro , Arita Makoto , Adachi Mariko , Sugie Ryuichi , Morita Yukihiro , Araki Tsutomu
Published: May 2024

The effect of carbon coating on a surface structure of a high-dose implanted/annealed silicon carbide (SiC) during annealing was examined using scanning probe microscopy (SPM), deep-ultraviolet (DUV) Raman spectroscopy, and transmission electron microscopy (TEM). In SPM, the surfaces of 500- and 30 °C-implanted/annealed SiC samples without coating exhibited a periodic-step structure and granular structure, respectively. The difference between these surfaces is attributed to the absence or presence of residual implantation damage. In contrast, surface flatness was maintained in the 500 °C-implanted/annealed SiC sample with carbon coating. However, the surface of the coated 30 °C-implanted/annealed SiC sample exhibited a geometric structure with a lattice pattern parallel to the ⟨112¯0⟩ axes. The DUV Raman spectra and TEM images indicated that the implanted layer of this sample metamorphosed into a mixture of 3C-SiC twin domains and amorphous-SiC regions. During the cooling process after annealing, the 3C-SiC region was more raised than the amorphous-SiC region owing to the difference in the thermal expansion coefficients, thus resulting in the generation of a geometric surface structure. In the metamorphosed implanted layer, the carbon coating does not completely prevent surface roughening.
Clustering of passive tracers in a random acoustic velocity field
Authors: Koshel Konstantin V. , Stepanov Dmitry V.
Published: May 2024

We consider the effects of passive tracer clustering (e.g., the magnetic field energy in stellar atmospheres) in a random acoustic velocity field. A method for numerical modeling of a two-dimensional random acoustic field is proposed. The field is described by a correlation tensor defined by traveling isotropic waves, taking into account dissipation. Two metrics for measuring the clustering effects are used: concentration and density. Using numerical modeling, we show that the tracer concentration is almost always clustered. The situation with the density is different; as the dissipation tends to zero, the time to reach the clustered states increases significantly. In addition, due to the tracer transport out of the density clustering regions, only a part of the tracer is clustered. For the presented analyses, we considered ensembles of Lagrangian particles and introduced and applied the statistical topography methodology.
Dynamic embedding of effective harmonic normal mode vibrations in all-atomistic energy gap fluctuations: Case study of light harvesting 2 complex
Authors: Cho Kwang Hyun , Jang Seogjoo J. , Rhee Young Min
Published: May 2024

Environmental effects in excitation energy transfer have mostly been modeled by baths of harmonic oscillators, but to what extent such modeling provides a reliable description of actual interactions between molecular systems and environments remains an open issue. We address this issue by investigating fluctuations in the excitation energies of the light harvesting 2 complex using a realistic all-atomistic simulation of the potential energy surface. Our analyses reveal that molecular motions exhibit significant anharmonic features, even for underdamped intramolecular vibrations. In particular, we find that the anharmonicity contributes to the broadening of spectral densities and substantial overlaps between neighboring peaks, which complicates the meaning of mode frequencies constituting a bath model. Thus, we develop a strategy to construct a minimally underdamped harmonic bath that has a clear connection to all-atomistic dynamics by utilizing actual normal modes of molecules but optimizing their frequencies such that the resulting bath model can best reproduce the all-atomistic simulation results. By subtracting the underdamped contribution from the entire fluctuations, we also show that identifying a residual spectral density representing all other contributions with overdamped behavior is possible. We find that this can be fitted well with a well-established analytic form of a spectral density function or, alternatively, modeled as explicit time dependent fluctuations with muti-exponential or power law type correlation functions. We provide an assessment and the implications of these possibilities. The approach presented here can also serve as a general strategy to construct a simplified bath model that can effectively represent the underlying all-atomistic bath dynamics.
Large-eddy simulation of wind pressures on elevated low-rise buildings
Authors: Wang Xiangjie , Cai C. S. , Sun Chao , Elawady Amal
Published: May 2024

Residential buildings in coastal communities are often elevated to mitigate flooding and wave-surge impacts. However, the elevations change the local wind field characteristics and may increase the aerodynamic pressure on buildings. Post-event reconnaissance showed that elevated buildings experienced severe structural damage to the roofs, walls, and floors during major hurricanes. Currently, our understanding of aerodynamic pressure on elevated houses is limited. In this paper, a large eddy simulation (LES)-based method is developed to better understand the wind effects on elevated buildings. The inflow generation method, discretizing and synthesizing random flow generation, is adopted to generate inflow boundary conditions satisfying the target spectrum. Two sub-grid scale models, the Smagorinsky and wall-adapted local eddy-viscosity models, are employed to represent the unresolved small-scale eddies. It is found that the eddy structure sizes can strongly affect the pressure fluctuations at the eddy separation zones. The present study advances the understanding of aerodynamics on elevated buildings and provides a reference for future LES-based research on wind effect modeling.
Observation of bound valence excited electronic states of deprotonated 2-hydroxytriphenylene using photoelectron, photodetachment, and resonant two-photon detachment spectroscopy of cryogenically cooled anions
Authors: Kang Jisoo , Brewer Edward I. , Zhang Yue-Rou , Yuan Dao-Fu , Kocheril G. Stephen , Wang Lai-Sheng
Published: May 2024

Polycyclic aromatic hydrocarbons (PAHs) are common atmospheric pollutants, and they are also ubiquitous in the interstellar medium. Here, we report the study of a complex O-containing PAH anion, the deprotonated 2-hydroxytriphenylene (2-OtPh–), using high-resolution photoelectron imaging and photodetachment spectroscopy of cryogenically cooled anions. Vibrationally resolved photoelectron spectra yield the electron affinity of the 2-OtPh radical as 2.629(1) eV and several vibrational frequencies for its ground electronic state. Photodetachment spectroscopy reveals bound valence excited electronic states for the 2-OtPh– anion, with unprecedentedly rich vibronic features. Evidence is presented for a low-lying triplet state (T1) and two singlet states (S1 and S2) below the detachment threshold. Single-color resonant two-photon photoelectron spectroscopy uncovers rich photophysics for the 2-OtPh– anion, including vibrational relaxation in S1, internal conversion to the ground state of 2-OtPh–, intersystem crossing from S2 to T1, and a long-lived autodetaching shape resonance about 1.3 eV above the detachment threshold. The rich electronic structure and photophysics afforded by the current study suggest that 2-OtPh– would be an interesting system for pump–probe experiments to unravel the dynamics of the excited states of this complex PAH anion.
Epitaxial trench refill of 4H-SiC by chlorinated chemistry
Authors: Colston Gerard , Turner Kelly , Renz Arne , Gammon Peter , Antoniou Marina , Mawby Philip A. , Shah Vishal A.
Published: May 2024

Trench epitaxy of 4H-SiC is investigated with the supersaturation of chlorinated chemistry at a growth temperature of 1550 °C. Coupled with a lower growth temperature than has been previously reported, the integrity of the 4H-SiC trenches is retained and minimal rounding effects of H2 annealing prior to growth are observed. The system gives different growth rates of materials on the various crystal faces of the trenches and can be used to improve the refilling process, resulting in the reduced void formation. The addition of excessive levels of HCl can suppress trench epitaxy by reducing the growth rate on the sidewalls of trenches in favor of growth on the surface. The processes demonstrated offer a scalable and reproducible method to fabricate SiC-based superjunction device structures for applications in high voltage power electronics.
Periodic motions with impact chatters in an impact Duffing oscillator
Authors: Luo Albert C. J. , Zhu Yuzhou
Published: May 2024

The periodic motions of discontinuous nonlinear dynamical systems are very difficult problems to solve in engineering and physics. Until now, except for numerical studies, one cannot find a better way to solve such problems. In fact, one still has difficulty obtaining periodic motions in continuous nonlinear dynamical systems. In this paper, a method is presented systematically for periodic motions in discontinuous nonlinear dynamical systems. The stability and grazing bifurcations of such periodic motions are studied. Such a method is presented through discussion on a periodically forced, impact Duffing oscillator. Thus, periodic motions with impact chatters in a periodically forced Duffing oscillator with one-sidewall constraint are studied. The analytical conditions for motion grazing at the boundary are developed from discontinuous dynamical systems. The impact Duffing oscillator is discretized to generate subimplicit mappings. With impact, the mapping structures are employed to construct specific impact periodic motions for an impact Duffing oscillator. The bifurcation trees of impact chatter periodic motions are achieved semi-analytically. The grazing and period-doubling bifurcations are obtained, and the grazing bifurcations are for the appearing and disappearance for an impact chatter periodic motion. The impact chatter periodic motions with and without grazing are presented for illustration of impact periodic motion complexity in the impact Duffing oscillator.
Charged rotating BTZ solution revisited: new coordinates and algebraic classifications
Authors: Maeda Hideki , Podolský Jiří
Published: May 2024

We revisit the charged rotating Bañados–Teitelboim–Zanelli (BTZ) solution in the three-dimensional Einstein–Maxwell-Λ system. After the erroneous announcement of its discovery at the end of the original BTZ paper in 1992, the solution was first obtained by Clément in the paper published in 1996 by coordinate transformations from the charged non-rotating BTZ solution. While Clément’s form of the solution is valid only forΛ<0, we present a new form for a wider range of Λ by uniform scaling transformations and a reparametrization. We also introduce new coordinates corresponding to the Doran coordinates in the Kerr spacetime, in which the metric and also its inverse are regular at the Killing horizon, and described by elementary functions. Lastly, we show that (i) the algebraic Cotton type of the spacetime is type III on the Killing horizon and type I away from the horizon, and (ii) the energy-momentum tensor for the Maxwell field is of the Hawking–Ellis type I everywhere.
Enhancing mid-infrared surface phonon polariton modes: optimization of structural parameters in Nb-doped SrTiO3 with hole array structures for advanced infrared sensors
Authors: Zhang Hao , Wan Jiale , Cheng Shenghua , Peng Tianhao , Wang Xiaohu
Published: May 2024

This study utilized the finite difference time domain method to investigate the mid infrared surface phonon polaritons and localized surface phonon resonances in undoped and niobium (Nb)-doped SrTiO3 (STO) with planar and holes array structures. Research has shown that Nb-doped STO operates in the Reststrahlen band of 8.06–18.48 µm, providing a wider spectral response than undoped STO (12.58–18.26 µm) and effectively covering the atmospheric window of long wave infrared. This indicates that the increase in virtual permittivity has the least impact on spectral broadening, indicating that the new infrared sensor technology has broad prospects. The optimization of structural parameters, including the period, filling factor, and depth of STO holes array, as well as the response to changes in incident light angle, is crucial for guiding the design of high-performance optoelectronic devices. In addition, this study explored the excitation of four resonant modes within a holes array and analyzed their relationship with array parameters to enhance the design of optoelectronic applications.
Enhancing disruption prediction through Bayesian neural network in KSTAR
Authors: Kim Jinsu , Lee Jeongwon , Seo Jaemin , Ghim Young-Chul , Lee Yeongsun , Na Yong-Su
Published: May 2024

In this research, we develop a data-driven disruption predictor based on Bayesian deep probabilistic learning, capable of predicting disruptions and modeling uncertainty in KSTAR. Unlike conventional neural networks within a frequentist approach, Bayesian neural networks can quantify the uncertainty associated with their predictions, thereby enhancing the precision of disruption prediction by mitigating false alarm rates through uncertainty thresholding. Leveraging 0D plasma parameters from EFIT and diagnostic data, a temporal convolutional network adept at handling multi-time scale data was utilized. The proposed framework demonstrates proficiency in predicting disruptions, substantiating its effectiveness through successful applications to KSTAR experimental data.
Electric field and higher harmonics of RF plasma slit jet measured by antennas and VI probes
Authors: Polášková K , Drexler P , Klíma M , Macháč J , Nečas D , Švanda M , Zajíčková L
Published: May 2024

The cold atmospheric plasma jets change their character when interacting with the different surfaces. Since such interaction is the primary area of plasma jet applications, it is essential to monitor the process. The non-linearity of the RF plasma slit jet (PSJ) was analyzed using the VI probes and a novel method, the non-intrusive antenna measurements. Regardless of the experimental setup and gas mixture (Ar, Ar/O2, Ar/N2), the PSJ frequency spectrum consisted of the following main features: dominant fundamental frequency peak, relatively strong odd harmonics, and significantly weaker even harmonics. The lowest degree of non-linearity was recorded for the Ar PSJ ignited against a grounded target. Admixing a molecular gas increased the discharge non-linearity. It was attributed to the enhancement of secondary electron emission from the dielectric surfaces. In addition to the non-linearity analysis, the antenna spectra were for the first time used to determine the semi-quantitative values of the PSJ-radiated electric field. The electric fields decreased by a factor of 2 after the admixing of nitrogen and oxygen molecular gases. Out of the studied targets, the highest electric fields were observed when plasma impinged on the grounded targets, followed by the floating target (2× lower) and the PSJ ignited in the open space configuration (4× lower than in the grounded target configuration).
Robust bounds on ALP dark matter from dwarf spheroidal galaxies in the optical MUSE-Faint survey
Authors: Todarello Elisa , Regis Marco , Reynoso-Cordova Javier , Taoso Marco , Vaz Daniel , Brinchmann Jarle , Steinmetz Matthias , Zoutendijk Sebastiaan L.
Published: May 2024

Nearby dwarf spheroidal galaxies are ideal targets in the search for indirect dark matter (DM) signals.
In this work, we analyze MUSE spectroscopic observations of a sample of five galaxies, composed of both classical and ultra-faint dwarf spheroidals. The goal is to search for radiative decays of axion-like particles (ALPs) in the mass range of 2.7–5.3 eV. After taking into account the uncertainties associated with the DM spatial distribution in the galaxies, we derive robust bounds on the effective ALP-two-photon coupling.
They lie well below the QCD axion band and are significantly more constraining than limits from other probes, in the relevant mass range.
We also test the possible presence of a positive signal, concluding that none of the wavelength channels selected for this analysis, i.e., not affected by large background contamination, is exhibiting such evidence.