Mechanism Of Phase Transition Research Articles

Order–disorder phase transitions in front of the exit during human crowd evacuations

Human crowds often exhibit collective behaviors through self-organization, such as orderly queueing and disordered congestion at exits. Understanding the dynamic mechanisms behind these behaviors is crucial for pedestrian traffic management and the handling of mass crowds. Although current models and experiments have provided profound insights into ordered and disordered pedestrian groups separately, the transition mechanism from order to disorder within pedestrian crowds in front of exits remains unclear. In this study, a pedestrian queueing evacuation experiment was presented to demonstrate the phase transition process of pedestrian movement states as urgency levels in the environment change. We discovered the migration pattern of the phase transition point under evacuation control and identified different propagation modes of pedestrian velocity waves. Furthermore, a pedestrian motion model based on experimental data and observed phenomena was established. This model not only replicates the observed phenomena and regularities from the experiments but also reveals the quantitative phase transition mechanism of pedestrian movement under the influence of a single factor (i.e., urgency level or queueing ratio). Our findings hold significant implications for various domains, including pedestrian management, traffic control, and pedestrian dynamics.

Powerful UAV manipulation via bioinspired self-adaptive soft self-contained gripper.

Existing grippers for unmanned aerial vehicle (UAV) manipulation have persistent challenges, highlighting a need for grippers that are soft, self-adaptive, self-contained, easy to control, and lightweight. Inspired by tendril plants, we propose a class of soft grippers that are voltage driven and based on winding deformation for self-adaptive grasping. We design two types of U-shaped soft eccentric circular tube actuators (UCTAs) and propose using the liquid-gas phase-transition mechanism to actuate UCTAs. Two types of UCTAs are separately cross-arranged to construct two types of soft grippers, forming self-contained systems that can be directly driven by voltage. One gripper inspired by tendril climbers can be used for delicate grasping, and the other gripper inspired by hook climbers can be used for strong grasping. These grippers are ideal for deployment in UAVs because of their self-adaptability, ease of control, and light weight, paving the way for UAVs to achieve powerful manipulation with low positioning accuracy, no complex grasping planning, self-adaptability, and multiple environments.

High‐Voltage Spinel Cathode Materials: Navigating the Structural Evolution for Lithium‐Ion Batteries

AbstractHigh‐voltage LiNi0.5Mn1.5O4 (LNMO) spinel oxides are highly promising cobalt‐free cathode materials to cater to the surging demand for lithium‐ion batteries (LIBs). However, commercial application of LNMOs is still challenging despite decades of research. To address the challenge, the understanding of their crystallography and structural evolutions during synthesis and electrochemical operation is critical. This review aims to illustrate and update the fundamentals of crystallography, phase transition mechanisms, and electrochemical behaviors of LNMOs. First, we outline the research history of LNMO and its development into a LIB cathode material. Then we review the structural basics of LNMOs including the classic and updated views of the crystal polymorphism, interconversion between the polymorphs, and structure‐composition relationship. Afterwards, the phase transition mechanisms of LNMOs that connect structural and electrochemical properties are comprehensively discussed from fundamental thermodynamics to operando dynamics at intra‐ and inter‐particle levels. In addition, phase evolutions during overlithiation as well as thermal‐/electrochemical‐driven phase transformations of LNMOs are also discussed. Finally, we offer recommendations for the further development of LNMOs as well as other complex materials to unlock their full potential for future sustainable and powerful batteries.This article is protected by copyright. All rights reserved

Mammalian IRE1α dynamically and functionally coalesces with stress granules.

Upon endoplasmic reticulum (ER) stress, activation of the ER-resident transmembrane protein kinase/endoribonuclease inositol-requiring enzyme 1 (IRE1) initiates a key branch of the unfolded protein response (UPR) through unconventional splicing generation of the transcription factor X-box-binding protein 1 (XBP1s). Activated IRE1 can form large clusters/foci, whose exact dynamic architectures and functional properties remain largely elusive. Here we report that, in mammalian cells, formation of IRE1α clusters is an ER membrane-bound phase separation event that is coupled to the assembly of stress granules (SGs). In response to different stressors, IRE1α clusters are dynamically tethered to SGs at the ER. The cytosolic linker portion of IRE1α possesses intrinsically disordered regions and is essential for its condensation with SGs. Furthermore, disruption of SG assembly abolishes IRE1α clustering and compromises XBP1 mRNA splicing, and such IRE1α-SG coalescence engenders enrichment of the biochemical components of the pro-survival IRE1α-XBP1 pathway during ER stress. Our findings unravel a phase transition mechanism for the spatiotemporal assembly of IRE1α-SG condensates to establish a more efficient IRE1α machinery, thus enabling higher stress-handling capacity.

Recent advances of phase transition and ferroelectric device in two-dimensional In2Se3

The coupling of ferroelectric, photoelectric, semiconducting, and phase transition properties make two-dimensional (2D) In2Se3 a material platform with great application potential in the phase change memory, intelligent sensing, and in-memory computing devices. However, at present, there are unclear phase transition mechanisms and ferroelectric dynamics in 2D In2Se3, which seriously hinder the development of device applications. In this review, we mainly highlight the phase transition mechanisms and ferroelectric devices of In2Se3 beginning with the history of bulk In2Se3 and of 2D In2Se3. The phase transition relations of the four In2Se3 phases, including α-, β-, β′-, and γ-phases, under various driving forces, are summarized. The different driving forces, including temperature, laser, electric-field, vacancy, doping, and strain, are introduced and discussed. Moreover, the phase-control growth of 2D In2Se3 films and their novel ferroelectric device applications are demonstrated. Finally, a perspective on future research directions of 2D In2Se3 is provided.

Cross-scale deciphering thermal failure process of Ni-rich layered cathode

Ni-rich LiNixCoyMn1-x-yO2 (NCM) layered oxides are low-cost high-energy density cathode materials, but plagued by its poor thermal stability incurred safety concerns. The thermal failure process of the layered cathode is accompanied by heat generation and oxygen release, which drives the battery into thermal runaway (TR). Aiming to fully understand the TR process and the structure evolution, this work applies diverse characterization techniques onto a polycrystalline Ni-rich layered cathode (LiNi0.83Mn0.05Co0.12O2 (PCN83)) to comprehensively investigate its thermal failure process at multiple scales. From macro level, we validate that it is the cathode thermal failure that drives the battery from the heat accumulation stage into TR in adiabatic conditions. From micro level, transmission electron microscopy (TEM) verifies that the thermal failure of PCN83 starts from 150 °C, which is much lower than the TR temperature measured from macro level tests. We reveal that the PCN83 cathode experiences sequential phase transitions before the TR, where the phase transition mechanism is illustrated from the atomic scale and the pore evolution process is unraveled. In situ heating TEM further reveals that thermal failure is preferentially initiated from grain boundaries and defect regions. These findings provide an in-depth understanding of the whole thermal failure process of NMC-based layered cathode materials and sheds new lights on the rational design of Ni-rich cathode materials with improved thermal safety.

A facile DNA coacervate platform for engineering wetting, engulfment, fusion and transient behavior.

Biomolecular coacervates are emerging models to understand biological systems and important building blocks for designer applications. DNA can be used to build up programmable coacervates, but often the processes and building blocks to make those are only available to specialists. Here, we report a simple approach for the formation of dynamic, multivalency-driven coacervates using long single-stranded DNA homopolymer in combination with a series of palindromic binders to serve as a synthetic coacervate droplet. We reveal details on how the length and sequence of the multivalent binders influence coacervate formation, how to introduce switching and autonomous behavior in reaction circuits, as well as how to engineer wetting, engulfment and fusion in multi-coacervate system. Our simple-to-use model DNA coacervates enhance the understanding of coacervate dynamics, fusion, phase transition mechanisms, and wetting behavior between coacervates, forming a solid foundation for the development of innovative synthetic and programmable coacervates for fundamental studies and applications.

Thermosensitive injectable polysaccharide-based hydrogels: Gelation mechanisms, synthetic strategies, biomedical applications, and challenges

In recent years, thermosensitive polysaccharide-based injectable hydrogels have gained increasing attention in biomedical applications, including wound healing, drug delivery, and cartilage repair. These hydrogels have favorable biocompatibility, biodegradability, and tunable physical and chemical properties. Thermosensitive polysaccharide-based injectable hydrogels are a class of intelligent soft matter material. They can undergo a reversible liquid-solid transition when exposed to temperature stimuli. Therefore, their precursor solutions can be accurately inserted into target sites with irregular geometries in a minimally invasive way and then transformed into gels in situ by the organism’s temperature stimulation to deliver biologically active molecules. This review summarizes the recent developments of thermosensitive injectable polysaccharide-based hydrogels. The focus is on the mechanism of sol-gel phase transition, as well as the design and preparation of thermosensitive polysaccharides and their applications in biomedical fields. In addition, the outlook of the challenges in biomedical applications is provided at the end of the paper.

Combined study of phase transitions in the P2-type NaXNi1/3Mn2/3O2 cathode material: experimental, ab-initio and multiphase-field results

The research of new electrode materials such as sodium intercalation compounds is key to meet the challenges of future demands of sustainable energy storage. For these batteries, the intercalation behavior on the micro-scale is governed by a complex interplay of chemical, electrical and mechanical forces strongly influencing the overall cell performance. The multiphase-field method is a suitable tool to study these multi-physics and bridge the scale from ab-initio methods to the cell level. In this work, we follow a combined approach of experiments, density functional theory (DFT) calculations and multiphase-field simulations to predict thermodynamic and kinetic properties for the P2-type NaXNi1/3Mn2/3O2 sodium-ion cathode material. Experimentally, we obtain the thermodynamic potential and diffusion coefficients at various sodium contents using electrochemical techniques and discuss limitations of the experimentally applied methods. DFT is used to identify stable phases by calculating an energy hull curve. Then, the influence of long-range dispersion interactions and the exchange-correlation functional on the voltage curve is investigated by comparison with experimental results. Finally, multiphase-field simulations are performed based on inputs from experiments and DFT. The fitting of phase-specific chemical free energies from DFT calculations and experimental data is discussed. Our results highlight the thermodynamic consistency of all three approaches close to thermodynamic equilibrium. Furthermore, the phase-field method accurately describes the kinetics of the system including multiple phase transitions, by which we unravel the mechanism of the P2-O2 phase transition in a single crystal under the influence of intercalation reaction, bulk diffusion and elastic deformation. The model is able to predict the kinetic capacity loss depending on charging rate in agreement with C-rate experiments.

Optogenetic control of mRNA condensation reveals an intimate link between condensate material properties and functions

Biomolecular condensates, often assembled through phase transition mechanisms, play key roles in organizing diverse cellular activities. The material properties of condensates, ranging from liquid droplets to solid-like glasses or gels, are key features impacting the way resident components associate with one another. However, it remains unclear whether and how different material properties would influence specific cellular functions of condensates. Here, we combine optogenetic control of phase separation with single-molecule mRNA imaging to study relations between phase behaviors and functional performance of condensates. Using light-activated condensation, we show that sequestering target mRNAs into condensates causes translation inhibition. Orthogonal mRNA imaging reveals highly transient nature of interactions between individual mRNAs and condensates. Tuning condensate composition and material property towards more solid-like states leads to stronger translational repression, concomitant with a decrease in molecular mobility. We further demonstrate that β-actin mRNA sequestration in neurons suppresses spine enlargement during chemically induced long-term potentiation. Our work highlights how the material properties of condensates can modulate functions, a mechanism that may play a role in fine-tuning the output of condensate-driven cellular activities.

Three-Step Ferroelastic Transitions from Hexagonal to Triclinic Phases in a Hybrid Perovskite: (1-Fluoromethyl-1-methylpyrrolidine)[CdCl3].

Hybrid ferroelastic crystals have emerged as a hot research topic in recent years owing to their prospective applications in piezoelectric sensors, mechanical switches, and optoelectronic devices. Nevertheless, most of the documented materials exhibit one-step or two-step ferroelastic phase transition(s), and those with multistep ferroelastic transitions are extremely scarce. We present a new hexagonal molecular perovskite based on a fluoro-substituted flexible cyclic ammonium cation, (1-fluoromethyl-1-methylpyrrolidine)[CdCl3] (1), undergoing unusual three-step ferroelastic phase transitions from hexagonal paraelastic phase to orthorhombic, monoclinic, and triclinic ferroelastic phases at 388, 376, and 311 K, respectively, with Aizu notation of 6/mmmFmmm, mmmF2/m, and 2/mF-1, featuring spontaneous strain of 0.002, 0.023, and 0.110, respectively. Furthermore, variable-temperature single-crystal diffraction reveals that the phase-transition mechanism in 1 principally originates from intriguing dynamic change of organic cations and synchronous displacement of inorganic chains. This scarce instance of multistep hybrid ferroelastic provides important clues for finding advanced ferroelastic materials.

Crystallographic types depended energy storage mechanism for zinc storage

As a new type cathode material for aqueous zinc-ion batteries (ZIBs), manganese-based sulfides have gradually received researchers’ concern in recent years due to their lower electronegativity, higher electronic conductivity and better electrochemical activity compared with the corresponding manganese-based oxides. However, the revelation of energy storage mechanism for manganese-based sulfides is full of great challenges, which largely restricts their application. Herein, inspired by density functional theory calculations, we design and synthesize the γ-MnS and α-MnS hollow microspheres with different crystallographic types for the first time, delivering significantly different energy storage mechanisms of the two MnS electrodes. Impressively, the γ-MnS electrode can stably exist and store energy during the whole charging/discharging processes, while the α-MnS electrode first undergoes irreversible in situ oxidation to generate ZnMnO3/MnOx during the initial charging process, and then the reversible H+/Zn2+ co-insertion/extraction energy storage behavior occurs during the subsequent discharging/charging processes. This unique phase transition mechanism caused by in situ electrochemical oxidation enables the α-MnS electrode to achieve enhanced ion diffusion kinetics, thereby improving the rate capability and cyclic stability. This work not only enriches the energy storage mechanism of manganese-based sulfide cathodes, but also offers research ideas for the design and development of advanced manganese-based cathodes.

Terahertz Flexible Multiplexing Chip Enabled by Synthetic Topological Phase Transitions

Abstract Flexible multiplexing chips that permit reconfigurable multidimensional channel utilization are indispensable for revolutionary 6G terahertz communications, but the insufficient manipulation capability of terahertz waves prevents their practical implementation. Herein, we propose the first experimental demonstration of a flexible multiplexing chip for terahertz communication by revealing the unique mechanism of topological phase (TP) transition and perseveration in a heterogeneously coupled bilayer valley Hall topological photonic system. The synthetic and individual TPs operated in the coupled and decoupled states enable controllable on-chip modular TP transitions and subchannel switching. Two time-frequency interleaved subchannels support 10- and 12-Gbit/s QAM-16 high-speed data streams along corresponding paths over carriers of 120 and 130 GHz with 2.5- and 3-GHz bandwidths, respectively. This work unlocks interlayer heterogeneous TPs for inspiring ingenious on-chip terahertz-wave regulation, allowing functionality-reconfigurable, compactly integrated, and CMOS-compatible chips.

Phase transition mechanism of CsPbI2Br perovskite films induced by moisture

The humidity stability and phase transition mechanism of the all-inorganic perovskite CsPbI2Br based on an optimized dual-source co-evaporation preparation process are investigated at the film interface level. It is found that the CsPbI2Br films annealed at 300 °C for several minutes exhibit a best crystallinity and photoelectric properties. The as-grown CsPbI2Br film is confirmed to be a α phase with a dark brown cubic crystal structure and an average visible transparency of 35.9%. But it will be transformed into its δ phase with a transparent orthorhombic crystal structure and an average visible transparency of 80.3% after a certain amount of moisture exposure. Compared with the α phase film, the electronic structure of the δ phase has also changed significantly with a VBM shift of about 0.32 eV to high binding energy. The results of AR-XPS show that the water molecules in perovskite CsPbI2Br after a moisture exposure only adsorb on the surface rather than penetrate the interior of the lattice. When water molecules adsorb on the lattice surface, halide ions should migrate towards the lattice surface due to their high hydration enthalpy, resulting in halide vacancies within the lattice and causing the reduction of energy barrier for phase transition from α phase to δ phase. So the CsPbI2Br film will transform from its α phase to δ phase induced by water vapor, and this phase transition will be reversed to some extent after another annealing.

Three-dimensional ultrafast charge-density-wave dynamics in CuTe

Charge density waves (CDWs) involved with electronic and phononic subsystems simultaneously are a common quantum state in solid-state physics, especially in low-dimensional materials. However, CDW phase dynamics in various dimensions are yet to be studied, and their phase transition mechanism is currently moot. Here we show that using the distinct temperature evolution of orientation-dependent ultrafast electron and phonon dynamics, different dimensional CDW phases are verified in CuTe. When the temperature decreases, the shrinking of c-axis length accompanied with the appearance of interchain and interlayer interactions causes the quantum fluctuations (QF) of the CDW phase until 220 K. At T < 220 K, the CDWs on the different ab-planes are finally locked with each other in anti-phase to form a CDW phase along the c-axis. This study shows the dimension evolution of CDW phases in one CDW system and their stabilized mechanisms in different temperature regimes.

Indications for an alternative breaking of symmetry in fracture-induced electromagnetic emissions recorded prior to the 2023 Mw7.8 and Mw7.5 Turkey Earthquakes

Several evidence has been reported corroborating the view that the MHz band fracture-induced electromagnetic emissions (FEME), also known as fracture-induced electromagnetic radiation (FEMR), which are detected prior to shallow main earthquakes (EQs) of moment magnitude Mw>5.5 with epicenters on land or near coastline, can be studied in analogy to a Z(2) spin system undergoing a second-order phase transition. Specifically, by analyzing MHz FEME/FEMR time series recorded prior to several earthquakes in the past >20 years, information has been extracted about the organization to critical state, the critical state itself, as well as for the step-by-step development of the spontaneous symmetry breaking (SSB) phenomenon. Using the “method of critical fluctuations” (MCF) and a recently proposed method for the wavelet-based detection of scaling behavior in noisy experimental data, we identified for the first time a different way of breaking the symmetry embedded in the MHz FEME/FEMR time series recorded by the hELlenic Seismo-ElectroMagnetics Network (ELSEM-Net) prior to the devastating (Mw=7.8 and Mw=7.5) EQs that occurred in south-east Turkey on 06/02/2023. Particularly, after the achievement of the critical state, indications were found that, although the underlying system started to break the symmetry according to the second-order phase transition mechanism (through SSB), SSB was not completed. Instead, the system seems to have changed symmetry and presented indications that the break of symmetry was finally achieved according to the first-order phase transition mechanism. Specifically, after the incomplete SSB, it was found to present tricritical behavior, followed by indications of triple degeneration of the order parameter fixed-point. This change of behavior observed in the MHz FEME/FEMR is a puzzling phenomenon for several reasons, which are discussed in detail, whereas suggestions are expressed as a first attempt for the possible explanation of the new findings.

Phase transition mechanism and long‐term stability of LiF‐assisted sintered Li2MgxZrO3+x microwave dielectric ceramics

AbstractHerein, Li2MgxZrO3+x (x = 0–1) +2 wt.% LiF ceramics with a rock salt structure were prepared by the solid‐state reaction method. The phase transition mechanism was systematically investigated by X‐ray diffraction, and first‐principles calculations. With a gradual increase in MgO content, the samples underwent a monoclinic‐Li2ZrO3 to tetragonal‐Li2ZrO3 to tetragonal‐Li2MgZrO4 to cubic‐phase transition. The variations of the microwave dielectric properties due to the phase transition were systematically analyzed by the multi‐phase mixtures law. In addition, CO2 adsorption of the samples was quantitatively analyzed by X‐ray photoelectron spectroscopy, and the long‐term stability of the Q × f of the samples was investigated. The optimal microwave dielectric properties were obtained in Li2Mg0.2ZrO3.2 ceramic at 950°C: εr = 19.5, Q × f = 44 500 GHz, and τf = 2.6 ppm/°C. In addition, the ceramic samples were compatible with Ag, which indicates that Li2MgxZrO3+x (x = 0−1) +2 wt.% LiF is a promising material for low‐temperature co‐fired ceramics.

Experimental investigation and modeling on the dissociation kinetics of methane hydrate in clayey silt cores in depressurization

Natural gas hydrate (NGH) in clayey silts might be the majority of its global reserve. A thorough understanding on the dissociation kinetics of NGH in clayey silts is crucial for its safe and efficient exploitation. In this study, the dissociation characteristics of methane hydrate in quartz silts, montmorillonites and South China Sea (SCS) sediments made cores in multi-step depressurization was experimentally studied and modeled. In quartz silt core, methane hydrate thoroughly dissociated once the pressured is lowered to the equilibrium pressure in bulk. In montmorillonite and SCS sediment cores, methane hydrate dissociation initiated at higher pressure than quartz silt. Capillary and clay induced water activity depressions are suggested to be the major causes. Stepwise methane hydrate dissociation was discovered in the montmorillonite and SCS sediment cores in multi-stage depressurization. In one step depressurization, hydrate in the fine grain cores with larger surface area dissociated faster. In montmorillonite and SCS sediment cores, lower water content leads to faster dissociation at the same pressure, which may be attributed to the higher driven force for dissociation (fugacity difference fe-f). A kinetic model for NGH dissociation in clayey silts was established by introducing fitted equivalent diameter and surface area correction factor of hydrate particles to the Kim-Bishnoi model. In the model, the hydrate equilibrium conditions in clayey silts were predicted by the water activity measurement (WAM) technique. With a maximum deviation of 9.81% in gas production, the model prediction and experimental results are in good agreement. The experimental findings and model reported in this work may be helpful to understand the NGH phase transition mechanism in clayey silt sediments.

Investigation of the liquid water content in composite saline soil containing chloride and sulfate ions

Different salt types have different effects on the liquid water content of saline soil, resulting in differences in the physico-mechanical properties and water/salt migration process of saline soil. In order to investigate the phase transition process and the change of the liquid water content in composite saline soil, saline soils with the same total salt content and different ratios of sodium chloride and sodium sulfate were taken as the objects. The results indicated that two phase transitions occur in the saline soil with single salt type, while three phase transitions can be found in the composite saline soil with two salt types. Mirabilite crystallization contributes to the 1st phase transition, mirabilite and ice precipitate together in the 2nd phase transition process, and mirabilite, ice, and hydrohalite precipitate simultaneously in the 3rd phase transition process. The liquid water is reduced in the phase transition process during cooling, and the pore characteristic has been changed significantly. The change of the liquid water content reflects the processes of salt crystallization and ice formation in saline soil, then the amounts of ice and hydrated salt were calculated at different temperatures, and the mechanism of inhibiting the deformation of sulfate saline soil was examined by adding sodium chloride. The results have reference value for those seeking understanding of the deformation in natural composite saline soil, and these findings can provide theoretical basis for the phase transition mechanism of saline soil in cold regions.

Coexisting Magnetism, Ferroelectric, and Ferrovalley Multiferroic in Stacking-Dependent Two-Dimensional Materials.

Two-dimensional (2D) multiferroic materials have widespread application prospects in facilitating the integration and miniaturization of nanodevices. However, the magnetic, ferroelectric, and ferrovalley properties in one 2D material are rarely coupled. Here, we propose a mechanism for manipulating magnetism, ferroelectric, and valley polarization by interlayer sliding in a 2D bilayer material. Monolayer GdI2 is a ferromagnetic semiconductor with a valley polarization of up to 155.5 meV. More interestingly, the magnetism and valley polarization of bilayer GdI2 can be strongly coupled by sliding ferroelectricity, making these tunable and reversible. In addition, we uncover the microscopic mechanism of the magnetic phase transition by a spin Hamiltonian and electron hopping between layers. Our findings offer a new direction for investigating 2D multiferroic devices with implications for next-generation electronic, valleytronic, and spintronic devices.