Transition Structure Research Articles

The vortex structure and enstrophy of the mixing transition induced by Rayleigh–Taylor instability

The mixing induced by the Rayleigh–Taylor (RT) instability occurs widely in various natural phenomena and engineering applications, such as inertial confinement fusion. The mixing transition in the RT mixing process is the key process affecting the mixing evolution. At present, research in RT mixing transition mainly involves mixing transition criteria based on global quantities, statistical analysis of mixedness parameters and kinetic energy, and so on. A few studies have paid attention to the evolution of vorticity and its intensity, enstrophy, during mixing transition process. However, previous studies have inferred that vorticity and enstrophy play important roles in mixing transition. In this paper, implicit large-eddy simulation for RT mixing is carried out to analyze the evolution of vorticity and enstrophy in mixing transition. First, the vortical motions throughout the whole mixing process are investigated by comparing the contours of mass fraction and vorticity. Then, for revealing the mechanism of vortical motions in transition stage, the vortex structures are extracted and the relationship between vortex structures and enstrophy in mixing transition is investigated. Finally, in order to quantify the vortical motions in the mixing transition, the probability density function (PDF) of enstrophy is introduced and analyzed. The main conclusions are as follows: (1) The evolution of vortical motions is closely related to the RT mixing transition process. Enstrophy can reflect the vortical motions in the mixing transition process. When the growth rate of averaged enstrophy reaches its maximum value, the transition occurs; (2) the PDFs of enstrophy can quantify the evolution of vortex structures during mixing transition and characterize the mixing transition process. The mixing transition begins when the PDF of enstrophy appears double peaks. The process of PDF right peak movement corresponds to the transition process, and the transition ends when the position of the right peak is no longer moving. Since the enstrophy studied in this paper is a local field quantity, the above results are expected to be used to construct local mixing transition criterion.

Impact of the transition to retirement on alcohol consumption: a longitudinal analysis within SHARE

Abstract In an ageing society, the impact of retirement on behavioural risk factors and health status needs to be carefully assessed. Evidence on the short-term and long-term effects of retirement on alcohol consumption are contrasting and inconsistent. A longitudinal study was conducted based on data from the Survey on Health, Ageing and Retirement (SHARE) collected between 2004 and 2020 in 27 European countries and Israel. A repeated measure generalised estimating equation (GEE) model was fitted to estimate the relative risks (RR) and corresponding 95% confidence intervals (CI) of alcohol consumption (frequency, quantity, and binge drinking) at different time periods before and after retirement. We selected a cohort of 8,998 individuals who were employed at baseline and retired during follow-up (median follow-up: 9 years; maximum: 16 years). Compared to the year of retirement, the RR for habitual daily or near-daily drinking was 0.88 (95%CI 0.76-1.02) 10 years before retirement and 0.92 (95%CI 0.83-1.02). This pattern reversed post-retirement with a RR of 1.12 (95%CI 1.01-1.23) 3-4 years after retirement and 1.28 (95%CI 1.11-1.48) 10 years or more after retirement. No significant changes in the consumption of high volumes (more than 8 units of alcohol) were observed: while the frequency of regular drinking might increase post-retirement, the instances of heavy episodic drinking do not necessarily rise. Additionally, a reduction in occasional heavy drinking episodes was noted both before (RR 0.86; 95%CI 0.77-0.95, 5-9 years prior) and after retirement (RR 0.78; 95%CI 0.66-0.93, more than 10 years after). These findings underscore the complexity of alcohol use behaviours in the context of retirement. The increase in regular drinking post-retirement might be attributed to changes in daily structure, social interactions, or coping mechanisms for life transitions. The decline in binge drinking suggests a shift towards more moderated consumption patterns as individuals age. Speakers/Panelists Licia Iacoviello University of Insubria, Varese, Italy João Vasco Santos University of Porto, CINTESIS, ARS Norte, Porto, Portugal

Origin of unique electronic structures of single-atom alloys unraveled by interpretable deep learning.

We uncover the origin of unique electronic structures of single-atom alloys (SAAs) by interpretable deep learning. The approach integrates tight-binding moment theory with graph neural networks to accurately describe the local electronic structure of transition and noble metal sites upon perturbation. We emphasize the complex interplay of interatomic orbital coupling and on-site orbital resonance, which shapes the d-band characteristics of an active site, shedding light on the origin of free-atom-like d-states that are often observed in SAAs involving d10 metal hosts. This theory-infused neural network approach significantly enhances our understanding of the electronic properties of single-site catalytic materials beyond traditional theories.

A Silhouette of Dangai’ s Cyber-representation

As a distinctive subculture phenomenon, Dangai drama has been under the spotlight for its portrayal of homoeroticism deviating from hetero-normative ideology and potential implications for films and television industry in China in which neoliberalism is exerting profound influence on multifarious domains. Hinging upon the transitivity structure in SFG and social actors theory, the paper exercises linguistic modus operandi to set in motion the discourse analysis apropos of this entrancing but contentious series genre for the sake of casting light on its sociologically diversified representation in alignment with culturally and politically memetic epitome in heterogeneous cyber-media.

Topological State in Heterostructured Gap Waveguides and Their Transitions to Classical Transmission Line

AbstractGap waveguides play a crucial role in millimeter‐wave information transmission and processing for next‐generation wireless communication and radar sensing systems. However, they suffer from challenges, such as reflection and scattering losses at sharp bends and defects. While topological photonic crystals offer innovative solutions for robust signal transmission, their localized interface states and unique electromagnetic modes pose compatibility challenges with practical circuits and systems. In this paper, a novel heterostructured gap waveguide support valley‐locked topological guided wave transport is introduced. This design ensures robust propagation against defects and bends while maintaining compatibility with classical transmission lines. Its topological characteristic reduce sensitivity to fabrication and assembly errors. More importantly, an efficient transition structure is developed to seamlessly convert quasi‐transverse electromagnetic (quasi‐TEM) modes in planar transmission lines to topological guided wave states, thereby effectively exciting topological waves. All theoretical predictions are quantitatively verified by the simulations and experiments at millimeter wave frequency. This heterostructured gap waveguide can find unique applications, such as power divider, as verified numerically. By leveraging topological principles, the proposed gap waveguide offers a significant performance boost for antennas and passive/active components in millimeter‐wave applications, including automotive radar, 5G communication, and synthetic‐aperture radar for imaging.

Transitive and intransitive structures in competition-based ecological communities

Based on the classical idea that no two species can occupy the same niche, ecological communities are frequently assumed to be structured according to the rules of interspecific competition, based on the intuition provided by the Lotka/Volterra competition equations in two dimensions. It has been noted that when three or more species are involved, the usual tacit assumption that all competition is transitive may be violated. Intransitive loops change some of the emergent principles of the competition-based framework of community structure. Since the intransitivity is oscillatory, the convenient stable equilibrium approach to communities is altered and oscillatory behavior of the system needs to be acknowledged. It is likely that real communities, especially if they are relatively large, will contain one or more intransitive structures, along with normal transitivities. Here we examine some theoretical constructs that emanate from the joint consideration of intransitive and transitive structures co-occurring in an ecological community.

Deconstructing the Mapper algorithm to extract richer topological and temporal features from functional neuroimaging data

ABSTRACT Capturing and tracking large-scale brain activity dynamics holds the potential to deepen our understanding of cognition. Previously, tools from topological data analysis, especially Mapper, have been successfully used to mine brain activity dynamics at the highest spatiotemporal resolutions. Even though it is a relatively established tool within the field of topological data analysis, Mapper results are highly impacted by parameter selection. Given that noninvasive human neuroimaging data (e.g., from fMRI) is typically fraught with artifacts and no gold standards exist regarding “true” state transitions, we argue for a thorough examination of Mapper parameter choices to better reveal their impact. Using synthetic data (with known transition structure) and real fMRI data, we explore a variety of parameter choices for each Mapper step, thereby providing guidance and heuristics for the field. We also release our parameter exploration toolbox as a software package to make it easier for scientists to investigate and apply Mapper to any dataset.

Evolutionarily conserved fMRI network dynamics in the mouse, macaque, and human brain

Evolutionarily relevant networks have been previously described in several mammalian species using time-averaged analyses of fMRI time-series. However, fMRI network activity is highly dynamic and continually evolves over timescales of seconds. Whether the dynamic organization of resting-state fMRI network activity is conserved across mammalian species remains unclear. Using frame-wise clustering of fMRI time-series, we find that intrinsic fMRI network dynamics in awake male macaques and humans is characterized by recurrent transitions between a set of 4 dominant, neuroanatomically homologous fMRI coactivation modes (C-modes), three of which are also plausibly represented in the male rodent brain. Importantly, in all species C-modes exhibit species-invariant dynamic features, including preferred occurrence at specific phases of fMRI global signal fluctuations, and a state transition structure compatible with infraslow coupled oscillator dynamics. Moreover, dominant C-mode occurrence reconstitutes the static organization of the fMRI connectome in all species, and is predictive of ranking of corresponding fMRI connectivity gradients. These results reveal a set of species-invariant principles underlying the dynamic organization of fMRI networks in mammalian species, and offer novel opportunities to relate fMRI network findings across the phylogenetic tree.

W‐band inline waveguide‐to‐coupled microstrip line transition using a compact differential antenna

AbstractHere, a transition technique for converting signals from rectangular waveguide to coupled microstrip lines (CML) is presented, which provides a solution for differential antenna array feeding of automotive radar. The key to the proposed transition structure is to connect the coupling patches together with a short‐bridge structure, thus forming a quasi‐loop structure. Through the short bridge, the radiation efficiency of the antenna is greatly enhanced, and the mode conversion from TE10 of rectangle waveguide to differential mode of coupled microstrip line is realized effectively under the extremely compact size. Finally, the designed transition structure is manufactured and measured. The experimental results show that the back‐to‐back insertion loss is lower than 0.65 dB and the return loss is higher than 16.8 dB in the W‐band (75–110 GHz), which is the best performance and the simplest design among the relevant transition transitions reported so far.

Energy redistribution in railway transition zones by geometric optimisation of a novel transition structure

Railway transition zones are critical regions in railway infrastructure that are subjected to excessive operation-driven degradation due to energy concentration within these zones. This work presents a heuristic approach to optimise the geometry of the transition structure and investigate its influence on the strain energy distribution in the railway transition zones (RTZs), with a specific focus on embankment-bridge transitions equipped with a newly proposed ’Safe Hull-Inspired Energy Limiting Design (SHIELD)’ transition structure. For this purpose, a number of three-dimensional finite element models are used to analyze different geometric profiles of SHIELD in a systematic manner. By altering SHIELD’s geometry across longitudinal, transversal, and vertical directions, the influence of the different geometric profiles on the total strain energy distribution across the trackbed layers (ballast, embankment, and subgrade) is studied in terms of spatial and temporal variations. The results establish the contribution of geometry to energy redistribution in all three directions and present an optimum geometry for the type of transition under study. It is found that among all the profiles, the longitudinal geometric profile of SHIELD has the most significant impact on the strain energy distribution, while the transversal profile primarily influences the ballast layer, and the alteration of vertical profiles enhance the local redistribution of strain energy in the vicinity of the transition interface. The preliminary optimisation (heuristic approach) presented in this work provides the starting point for full-scale optimisation to obtain tailored shapes of transition structures such that there is neither a concentration of energy nor an obstruction in the flow of energy in RTZs.

Modeling acoustic characteristics of artificial bone alloys for medical and surgical use under thermodynamic conditions

The study examines the impact of porosity on mechanical, acoustic, and behavioral properties of (Ti-6Al-4 V alloy) alloys, which are manufactured to mimic human bones. It investigates how porosity, controlled through factors like pressure, particle size, and temperature during sintering, affects properties such as modulus of elasticity, surface acoustic wave (SAW) velocities, hardness coefficients, and acoustic resistance.The findings suggest that different levels of porosity at varying sintering temperatures significantly alter the dynamic elastic modulus of the alloys. Specifically, increasing porosity values seem to correlate with a decrease in elastic constants, elastic modulus values, and surface acoustic wave types. This phenomenon may be attributed to the transitional crystalline structure phases of Ti6Al4V alloy and the manufacturing process.Remarkably, the study concludes that these (Ti-6Al-4 V alloy) alloys exhibit superior porosity, mechanical, and acoustic qualities compared to various types of human bone, including cortical, trabecular, and cancellous bone.

Experiments on critical behavior of oblique detonation wave in stratified mixtures

Two-stage gas-gun ballistic experiments are performed to investigate the feasibility of stratified mixtures with variable global equivalence ratios Φglobal for the formation of sphere-induced oblique detonation wave (ODW) and quantify their critical behaviors, which include local quenching and transitional structure to ODW, by testing conventional detonation criteria for uniform mixtures. 2 Φglobal H2 + O2 + 3Ar mixtures are tested with different concentration gradients for each fuel-lean/fuel-rich global composition. Opposite responses are observed depending on the global equivalence ratio: the lean mixture of Φglobal = 0.7, which forms ODW in the uniform mixture, fails partly in the strongest stratification, whereas the richest mixture of Φglobal = 2.0 turns to ODW in the strongly stratified conditions. As elucidated in the authors' previous work, Chapman–Jouguet (C–J) theory, including the curvature effects, reproduces the wave angles of the stable ODWs, as well as provides a good prediction on the local quenching of ODW occurring in the area with less reactive composition. Comparison of different wave regimes observed in the explored conditions reveals that wave curvature governs the critical behaviors of ODW far away from the projectile, whereas the initiation structure around the projectile is also influenced by the non-dimensional diameter. Surface energy theory is proven to quantify well the initiation structure on the projectile using a local equivalence ratio. These results indicate a new possibility of controlling the methodology of ignition and stabilization of detonation in aerospace engines, in which perfect mixing is difficult and non-stoichiometric and non-uniform mixtures are expected.

Effect mechanism of Nb addition on grain refinement and inhibition of discontinuous precipitation of Cu–15Ni–8Sn alloy

Cu–15Ni–8Sn-xNb alloys (x = 0, 0.2, 0.6 wt%) were prepared using a medium-frequency induction melting furnace. The effect of Nb addition on grain refinement and inhibition of discontinuous precipitation (DP) in Cu–15Ni–8Sn alloys was systematically studied to elucidate the mechanism by which microstructural characteristics contribute to strength improvement. The results indicate that the increase the Nb content from 0 to 0.6 wt% reduces the average grain size of the as-cast alloy from approximately 524.8 μm to approximately 81.3 μm, and significantly decreases the lamellar transition structure region (α+γ). During solution treatment, dispersed needle-like NbNi3 phases were observed in the Cu–15Ni–8Sn-0.2Nb alloy. After aging, the DP growth rate in the Cu–15Ni–8Sn-0.2Nb alloy was notably slower than those of the other alloys. This was attributed to NbNi3 phases at the grain boundaries hindering DP nucleation, with intragranular NbNi3 phases inhibiting DP growth. The phase transformation order of the solid solution Cu–15Ni–8Sn-0.2Nb at 673 K aging is: spinodal structure → D022 ordered phase → L12 ordered phase → DP. The hardness and tensile strength of the Cu–15Ni–8Sn-0.2Nb alloy peaked at 338.3 HV and 725.42 MPa, respectively, after aging for 120 min. Using the Johnson–Mehl–Avrami–Kolmogorov (JMAK) and Arrhenius equations, the activation energies of DP in Cu–15Ni–8Sn-xNb (x = 0, 0.2, 0.6 wt%) alloys were calculated to be 93.19, 148.64, and 98.33 kJ/mol, respectively. These values suggest that the diffusion of DP atoms in the Nb-containing alloys is hindered, which effectively inhibits DP formation.

Monte Carlo QM/MM simulation studies of the Cannizzaro reaction in ionic liquids for improved biofuel production.

The conversion of biomass to 5-hydroxymethylfurfural (HMF) holds substantial promise as a renewable energy source. Notably, HMF can be transformed into 2,5-bis(hydroxymethyl)furan (BHMF), a crucial reactant in biofuel production, but requires harsh operating conditions, H2, and precious metal catalysts. A recently reported Cannizzaro reaction of HMF to BHMF, characterized by its efficiency, mild conditions, and eco-friendliness, instead employed ionic liquids (ILs) to achieve high yields. In this study, combined quantum mechanical and molecular mechanical (QM/MM) simulations in conjunction with Metropolis Monte Carlo statistical mechanics and free-energy perturbation theory utilized M06-2X/6-31+G(d), PDDG/PM3, and the OPLS-VSIL force field to uncover important solute-solvent interactions present in the HMF to BHMF reaction pathway. The Cannizzaro reaction was examined in water and in five ILs composed of the 1-butyl-3-methylimidazolium [BMIM] cation coupled to hexafluorophosphate, tetrafluoroborate, thiocyanate, chloride, and bromide. Energetic and structural analysis of the rate-determining hydride transfer between HMF and the hydride-donor anion HMFOH- attributed the enhanced reactivity to highly organized solvent interactions featuring (1) hydrogen bonding between the ring protons of [BMIM] and the negatively charged carbonyl oxygen atoms on the transition structure, (2) favorable electrostatic interactions between the IL anions and solute hydroxyl groups, and (3) beneficial π-π stacking interactions between [BMIM] and the two aromatic rings present in HMF and HMFOH-.

A vertical transition for suspended line with two transition modes

In this article, we propose a substrate-integrated suspended line (SISL) vertical transition for chip packaging. The transition structure supports both counter-directional and co-directional modes for single-module packaging and vertical integration, respectively. Furthermore, the incorporation of an electromagnetic band gap (EBG) reduces the demands on substrate electrical contact and simplifies the assembly process. A transition structure was designed to convert SISL to a grounded coplanar waveguide (GCPW) to facilitate measurement. The overall structure can be implemented using cost-effective printed circuit board (PCB) technology. Two prototypes of this transition were designed and fabricated. In the frequency range of 12–18 GHz, corresponding to a fractional bandwidth of 40%, the measured return loss is better than 12 dB, while the insertion loss remains consistently below 2.2 dB.

Study of oblique granular impingement flow through CFD-DEM simulations and energy consumption statistics

This paper investigates an experimental granular impingement flow system through simulations and energy consumption statistics. With the increase of solid concentration, flow patterns undergo cross flow (dense edge and dilute center), dispersed flow, and mixed-jet flow (dilute edge and dense center) in turn. The influence of gas phase on the flow pattern was investigated. According to the analysis of force and time-averaged velocity, it is revealed that gas-solid interaction will cause energy dissipation of granular flow, which cannot be ignored in specific cases. Then, a flow map is proposed according to both the Archimedes number and solid concentration. In addition, the flow pattern transition and local structure variations can be reflected by energy consumption statistics. Based on the simulations and methods developed in this work, it is promising to deepen the understanding and study of granular impingement flow from the viewpoints of energy consumption and new-type flow map.

Tetrafluorosubstituted titanyl phthalocyanines: Structure of single crystals and phase transition in thin films

In this work, tetrafluorinated titanyl phthalocyanines with F-substituents in both peripheral (TiOPcF4-p) and non-peripheral (TiOPcF4-np) positions were synthesized and characterized by the methods of elemental analysis, IR and electronic absorption spectroscopies. The influence of the position of F-substituents on the structure of TiOPcF4-p and TiOPcF4-np single crystals and thin films grown by vacuum sublimation was studied. TiOPcF4-p crystallizes in the I4/m space group and its molecules form uniform stacks along the tetragonal axis. Introduction of F-substituents to non-peripheral positions leads to the change of the crystal structure: TiOPcF4-np crystallizes in the P-1 space group and its molecules are packed into 2D layers. Both phthalocyanines form oriented polycrystalline films when deposited by thermal sublimation in vacuum, but their phase composition is different from that of single crystals. The effect of post-deposition annealing of TiOPcF4-p and TiOPcF4-np films on their phase composition, morphology, optical absorption and Raman spectra, as well as conductivity was revealed. It was shown that a phase transition, which led to the appearance of an additional band in the near-IR region in the optical absorption spectrum, was observed in TiOPcF4-p films when heated, whereas no phase transition was observed in TiOPcF4-np films.

Pore-scale behaviors of CO2 hydrate formation and dissociation in the presence of swelling clay: Implication for geologic carbon sequestration

Hydrate-based CO2 sequestration (HBCS) under seafloor with huge storage capacity and long-term mechanical stability is attractive for large-scale carbon reduction. However, as representative geochemical constituents of marine sediments, swelling clay minerals still play ambiguous roles in hydrate phase transition and sedimentary structure stability. In this study, pore-scale behaviors of hydrate deposition and reservoir structure evolution in the presence of montmorillonite (MMT), a representative swelling clay, was investigated using low-field nuclear magnetic resonance (LNMR) technique. Total inter-particle interaction energy of 195.4 KbT ensured the dispersion of clay in 0.5 wt% MMT system, which facilitated homogeneous hydrate formation by providing nucleation sites and surface electric fields, improving hydrate conversion from 78.2 % to 89.6 %. Weak water activity caused by strong water absorption of swelling clay resulted in a 14.4 % reduction in CO2 storage capacity of high-concentration (10.0 wt%) MMT reservoir. Hydrate phase transition accompanied by the migration of MMT particles and liquid water synergistically contributed to sedimentary structure evolution. Migration of MMT-rich fluid with high viscosity could cause irreversible geologic damages by exacerbating sedimentary skeleton deformation. This work reveals the interaction between swelling clay and CO2 hydrate at microscopic scale, providing new perspectives for effective implementation of CO2 geologic sequestration in marine sediments.

Substantial differences in source contributions to carbon emissions and health damage necessitate balanced synergistic control plans in China

China’s strategy to concurrently address climate change and air pollution mitigation is hindered by a lack of comprehensive information on source contributions to health damage and carbon emissions. Here we show notable discrepancies between source contributions to CO2 emissions and fine particulate matter (PM2.5)-related mortality by using adjoint emission sensitivity modeling to attribute premature mortality in 2017 to 53 sector and fuel/process combinations with high spatial resolution. Our findings reveal that monetized PM2.5 health damage exceeds climate impacts in over half of the analyzed subsectors. In addition to coal-fired energy generators and industrial boilers, the combined health and climate costs from energy-intensive processes, diesel-powered vehicles, domestic coal combustion, and agricultural activities exceed 100 billion US dollars, with health-related costs predominating. This research highlights the critical need to integrate the social costs of health damage with climate impacts to develop more balanced mitigation strategies toward these dual goals, particularly during fuel transition and industrial structure upgrading.

Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas.

We investigate the convergence of coupled-cluster (CC) correlation energies and related quantities with respect to the employed basis set size for the uniform electron gas (UEG) to gain a better understanding of the basis set incompleteness error (BSIE). To this end, coupled-cluster doubles (CCD) theory is applied to the three-dimensional UEG for a range of densities, basis set sizes, and electron numbers. We present a detailed analysis of individual diagrammatically decomposed contributions to the amplitudes at the level of CCD theory. In particular, we show that only two terms from the amplitude equations contribute to the asymptotic large-momentum behavior of the transition structure factor, corresponding to the cusp region at short interelectronic distances. However, due to the coupling present in the amplitude equations, all decomposed correlation energy contributions show the same asymptotic convergence behavior to the complete basis set limit. These findings provide an additional rationale for the success of a recently proposed correction to the BSIE of CC theory. Lastly, we examine the BSIE in the CCD plus perturbative triples [CCD(T)] method, as well as in the newly proposed CCD plus complete perturbative triples [CCD(cT)] method.