Superfast and solvent-free core-shell assembly of sulfur/carbon active particles by hail-inspired nanostorm technology for high-energy-density Li-S batteries

The demand on low-carbon emission fabrication technologies for energy storage materials is increasing dramatically with the global interest on carbon neutrality.As a promising active material for metal-sulfur batteries,sulfur is of great interest due to its high-energy-density and abundance.However,there is a lack of industry-friendly and low-carbon fabrication strategies for high-performance sulfur-based active particles,which,however,is in critical need by their practical success.Herein,based on a hail-inspired sulfur nano-storm(HSN)technology developed in our lab,we report an energy-saving,solvent-free strategy for producing core-shell sulfur/carbon electrode particles(CNT@AC-S)in minutes.The fabrication of the CNT@AC-S electrode particles only involves low-cost sulfur blocks,commercial carbon nanotubes(CNT)and activated carbon(AC)micro-particles with high specific surface area.Based on the above core-shell CNT@AC-S particles,sulfur cathode with a high sulfur-loading of 9.2 mg cm^(-2) delivers a stable area capacity of 6.6 mAh cm^(-2) over 100 cycles.Furthermore,even for sulfur cathode with a super-high sulfur content(72 wt%over the whole electrode),it still delivers a high area capacity of 9 mAh cm^(-2) over50 cycles in a quasi-lean electrolyte condition.In a nutshell,this study brings a green and industryfriendly fabrication strategy for cost-effective production of rationally designed S-rich electrode particles.

Collective motion of polar active particles on a sphere

Collective motion of active particles with polar alignment is investigated on a sphere.We discussed the factors that affect particle swarm motion and define an order parameter that can show the degree of particle swarm motion.In the model,we added a polar alignment strength,along with Gaussian curvature,affecting particles swarm motion.We find that when the force exceeds a certain limit,the order parameter will decrease with the increase of the force.Combined with our definition of order parameter and observation of the model,the reason is that particles begin to move side by side under the influence of polar forces.In addition,the effects of velocity,rotational diffusion coefficient,and packing fraction on particle swarm motion are discussed.It is found that the rotational diffusion coefficient and the packing fraction have a great influence on the clustering motion of particles,while the velocity has little influence on the clustering motion of particles.

Effective transport of passive particles induced by chiral-active particles in microchannel

Transport of passive particles induced by chiral-active particles in microchannel is investigated by using the overdamped Langevin dynamics simulation in a two-dimensional model system. Due to the chirality of active particles and special structure of microchannel, effective ratchet transport of passive particles is achieved. Effective transport of passive particles depends on the width of microchannel（d）, the density（ρ）, and the angular velocity（ω） of chiral-active particles.There exist optimal parameters for d and ω at which the transport efficiency for passive particles takes its maximal value.This investigation can help us understand the necessity of active motion for living systems to maintain a number of vital processes such as materials transport inside cells and the foraging dynamics of mobile organisms.

Unidirectional rotation of circles driven by chiral active particles

The dynamics of two-dimensional rigid circles filled with chiral active particles are investigated by employing the overdamped Langevin dynamics simulations. Unidirectional rotation of rigid circles is observed, and the rotational angular velocity（ω） relies mainly on the length（l）, the number（nB）, and tilt angle（γ） of boards, and the angular velocity（ω）and area fraction（ρ） of chiral active particles. There are optimum values for these parameters at which the average angular velocity of circle reaches its maximum. The center-of-mass mean square displacement for circles drops by about two orders of magnitude for large angular velocity ω of chiral active particles with oscillations in the short-time regime. Our work demonstrates that nanofabricated objects with suitable designs immersed in a bath of chiral active particles can extract and rectify energy in a unidirectional motion.

Phase separation and super diffusion of binary mixtures of active and passive particles

Computer simulations were performed to study the dense mixtures of passive particles and active particles in two dimensions.Two systems with different kinds of passive particles(e.g.,spherical particles and rod-like particles)were considered.At small active forces,the high-density and low-density regions emerge in both systems,indicating a phase separation.At higher active forces,the systems return to a homogeneous state with large fluctuation of particle area in contrast with the thermo-equilibrium state.Structurally,the rod-like particles accumulate loosely due to the shape anisotropy compared with the spherical particles at the high-density region.Moreover,there exists a positive correlation between Voronoi area and velocity of the particles.Additionally,a small number of active particles capably give rise to super-diffusion of passive particles in both systems when the self-propelled force is turned on.

Nonequilibrium Dynamics of Chemically Active Particles

Chemically active motion is ubiquitous in many nature and artificial systems where each unit can move directionally by converting chemical energy into kinetic energy.Since the systems are driven by activity far from equilibrium,many dynamical behaviors forbidden in equilibrium systems may be induced.Nonequilibrium dynamics of such systems is then a hot multidisciplinary topic with great challenges.Here,we review our recent theoretical advances in some fundamental problems at the single active particle level,the collective behavior level,as well as in systems where active particles act as baths.

Self-adaptive behavior of nunchakus-like tracer induced by active Brownian particles

We design a nunchakus-like tracer and investigate its self-adaptive behavior in an active Brownian particle(ABP)bath via systematically tuning the self-propelled capability and density of ABPs.Specifically,the nunchakus-like tracer will have a stable wedge-like shape in the ABP bath when the self-propelled force is high enough.We analyze the angle between the two arms of the tracer and the velocity of the joint point of the tracer.The angle exhibits a non-monotonic phenomenon as a function of active force.However,it increases with density of ABPs increasing monotonically.A simple linear relationship between the velocity and the self-propelled force is found under the highly active force.In other words,the joint points of the tracer diffuse and the super-diffusive behavior can make the relation between the self-propelled force and the density of ABPs persist longer.In addition,we find that the tracer can flip at high density of ABPs.Our results also suggest the new self-adaptive model research of the transport properties in a non-equilibrium medium.

Active Brownian particles simulated in molecular dynamics

In the numerical studies of active particles, models consisting of a solid body and a fluid body have been well established and widely used. In this work, such an active Brownian particle (ABP) is realized in molecular dynamics (MD) simulations. Immersed in a fluid, each ABP consists of a head particle and a spherical phantom region of fluid where the flagellum of a microswimmer takes effect. Quantitative control over the orientational persistence time is achieved via an external stochastic dynamics. This control makes it possible to validate ABP's diffusion property in a wide range of particle activity. In molecular description, the axial velocity of ABP exhibits a Gaussian distribution. Its mean value defines the active velocity which increases with the active force linearly, but shows no dependence on the rotational diffusion coefficient. For the active diffusion coefficient measured in free space, it shows semi-quantitative agreement with the analytical result predicted by a minimal ABP model. Furthermore, the active diffusion coefficient is also calculated by performing a quantitative analysis on the ABP's distribution along x axis in a confinement potential. Comparing the active diffusion coefficients in the above two cases (in free space and in confinement), the validity of the ABP modeling implemented in MD simulations is confirmed. Possible reasons for the small deviation between the two diffusion coefficients are also discussed.

Near equilibrium dynamics and one-dimensional spatial–temporal structures of polar active liquid crystals

We systematically explore near equilibrium, flow-driven, and flow-activity coupled dynamics of polar active liquid crystals using a continuum model. Firstly, we re-derive the hydrodynamic model to ensure the thermodynamic laws are obeyed and elastic stresses and forces are consistently accounted. We then carry out a linear stability analysis about constant steady states to study near equilibrium dynamics around the steady states, revealing long-wave instability inherent in this model system and how active parameters in the model affect the instability. We then study model predictions for one- dimensional （1D） spatial-temporal structures of active liquid crystals in a channel subject to physical boundary conditions. We discuss the model prediction in two selected regimes, one is the viscous stress dominated regime, also known as the flow-driven regime, while the other is the full regime, in which all active mechanisms are included. In the viscous stress dominated regime, the polarity vector is driven by the prescribed flow field. Dynamics depend sensitively on the physical boundary condition and the type of the driven flow field. Bulk-dominated temporal periodic states and spatially homogeneous states are possible under weak anchoring conditions while spatially inhomogeneous states exist under strong anchoring conditions. In the full model, flow-orientation interaction generates a host of planar as well as out-of-plane spatial-temporal structures related to the spontaneous flows due to the molecular self-propelled motion. These results provide contact with the recent literature on active nematic suspensions. In addition, symmetry breaking pattems emerge as the additional active viscous stress due to the polarity vector is included in the force balance. The inertia effect is found to limit the long-time survival of spatial structures to those with small wave numbers, i.e., an asymptotic coarsening to long wave structures. A rich set of mechanisms for generating and limiting the flow structures as well as the spatial-temporal structures predicted by the model are displayed.

Numerical computation of central crack growth in an active particle of electrodes influenced by multiple factors

Mechanical degradation, especially fractures in active particles in an electrode, is a major reason why the capacity of lithiumion batteries fades. This paper proposes a model that couples Li-ion diffusion, stress evolution, and damage mechanics to simulate the growth of central cracks in cathode particles（Li Mn_2 O_4） by an extended finite element method by considering the influence of multiple factors. The simulation shows that particles are likely to crack at a high discharge rate, when the particle radius is large, or when the initial central crack is longer. It also shows that the maximum principal tensile stress decreases and cracking becomes more difficult when the influence of crack surface diffusion is considered. The fracturing process occurs according to the following stages： no crack growth, stable crack growth, and unstable crack growth. Changing the charge/discharge strategy before unstable crack growth sets in is beneficial to prevent further capacity fading during electrochemical cycling.

Mineralogical and Active Mechanical Excitation Characteristics of Filled Fly Ash Cementitious Materials

To reveal the influence of mechanical activation on the performance of fly ash, the microanalysis（the energy spectroscopy, XRD and SEM）, the distribution size of particle of fly ash and cement paste intensity of various age for different grinding time were studied. The relationships of the activity and the composition of fly ash, microstructure and the distribution of particle size by mechanical activation of fly ash were obtained. The internal glass beads with activity were released by grinding fly ash for a certain time. The particle specific surface area was improved and the hydration reaction of the interface and the surface active center was increased by grinding. The granularity distributing of fly-ash trended towards optimization. The polar molecules or ions were easier to intrude into the internal cavity of the vitreous body. The active silica and alumina of fly ash were rapidly depolymerized. Each performance index of fly ash was increased before grinding for 20 min. Cement paste intensity of various age increased along with the grinding time, and the early strength increase range was big, but the later period intensity increase range hastened slightly. The internal part of vitreous of fly ash was destroyed if the fly ash continued to be ground and the activity of fly ash was reduced. It is suggested that Guozhuang＇s fly ash should be ground for 20 min.

Establishment of a Human Malignant T Lymphoma Cell Line Carrying a Retrovirus-like Particles with RT Activity

We have established an IL-2 independent malignant lymphoma line (CM-1) from peripheral T lymphocytes donated by a femalc patient with nervous systcm disease, the binlogical characteristics of CM-1 cells was studied in this paper. Another T lymphocytes,such as peripheral T lymphocytes donated by a maIe patient with multiple sclerosis, could be transformed into a malignant lymphoma line by using filtered supernatant of the CM-1 cultured medium, thus the CM-2 cell line u'as estabIished. The CM-1 and CM-2 cells were transplanted by subcutaneous inoculation into nude mice, and could cause the occurrenceof typical maIignant lymphoma. The observation of eIectron micrographs suggested the existence of virions in the CM-1 and CM-2 cells, and these virions were similar toretrovirus in the ultra-structure characteristics. lt was found that this virus possesses reverse transcriptase activity. ResuIts obtained from serological assay, molecular hybridization and PCR excluded the existence of other human viruses, which were commonly usedin our laboratory. The unknown virus possesses strong transformation activity, and probably is a new retro virus. Meanwhile, the work on the clone and sequence analysis ofthis virus are being carried out.

Experimental and numerical investigation on the uniformity of nanosecond pulsed dielectric barrier discharge influenced by pulse parameters

Nanosecond(ns)pulsed dielectric barrier discharge(DBD)is considered as a promising method to produce controllable large-volume and high activity low-temperature plasma at atmospheric pressure,which makes it suitable for wide applications.In this work,the ns pulse power supply is used to excite Ar DBD and the influences of the pulse parameters(voltage amplitude,pulse width,pulse rise and fall times)on the DBD uniformity are investigated.The gas gap voltage(Ug)and conduct current(Ig)are separated from the measured voltage and current waveforms to analyze the influence of electrical parameters.The spectral line intensity ratio of two Ar excited species is used as an indicator of the electron temperature(Te).The time resolved discharge processes are recorded by an intensified charge-coupled device camera and a one-dimensional fluid model is employed to simulate the spatial and temporal distributions of electrons,ions,metastable argon atoms and Te.Combining the experimental and numerical results,the mechanism of the pulse parameters influencing on the discharge uniformity is discussed.It is shown that the space electric field intensity and the space particles'densities are mainly responsible for the variation of discharge uniformity.With the increase of voltage and pulse width,the electric field intensity and the density of space particles increased,which results in the discharge mode transition from non-uniform to uniform,and then non-uniform.Furthermore,the extension of pulse rise and fall times leads to the discharge transition from uniform to nonuniform.The results are helpful to reveal the mechanism of ns pulsed DBD mode transition and to realize controllable and uniform plasma sources at atmospheric pressure.

Research on the degradation mechanism of dimethyl phthalate in drinking water by strong ionization discharge

The degradation mechanism of dimethyl phthalate（DMP） in the drinking water was investigated using strong ionization discharge technology in this study. Under the optimized condition, the degradation efficiency of DMP in drinking water was up to 93% in 60 min. A series of analytical techniques including high-performance liquid chromatography, liquid chromatography mass spectrometry, total organic carbon analyzer and ultraviolet–visible spectroscopy were used in the study. It was found that a high concentration of ozone（O_3） produced by dielectric barrier discharge reactor was up to 74.4 mg l^（-1） within 60 min. Tert-butanol, isopropyl alcohol,carbonate ions（CO_3^（2-）） and bicarbonate ions （HCO_3^-） was added to the sample solution to indirectly prove the presence and effect of hydroxyl radicals（·OH）. These analytical findings indicate that mono-methyl phthalate, phthalic acid（PA） and methyl ester PA were detected as the major intermediates in the process of DMP degradation. Finally, DMP and all products were mineralized into carbon dioxide（CO_2） and water（H_2O） ultimately. Based on these analysis results, the degradation pathway of DMP by strong ionization discharge technology were proposed.

Effect of actuating frequency on plasma assisted detonation initiation

Aiming at studying the influence of actuating frequency on plasma assisted detonation initiation by alternating current dielectric barrier discharge, a loosely coupled method is used to simulate the detonation initiation process of a hydrogenoxygen mixture in a detonation tube at different actuating frequencies. Both the discharge products and the detonation forming process which is assisted by the plasma are analyzed. It is found that the patterns of the temporal and spatial distributions of discharge products in one cycle are not changed by the actuating frequency. However, the concentration of every species decreases as the actuating frequency rises, and atom O is the most sensitive to this variation, which is related to the decrease of discharge power. With respect to the reaction flow of the detonation tube, the deflagration-todetonation transition（DDT） time and distance both increase as the actuating frequency rises, but the degree of effect on DDT development during flow field evolution is erratic. Generally, the actuating frequency affects none of the amplitude value of the pressure, temperature, species concentration of the flow field, and the combustion degree within the reaction zone.

Density fluctuations of two-dimensional active-passive mixtures

Dimension-dependent giant density fluctuations are a typical feature of active matter systems. In this work, we study the density fluctuation in two-dimensional mixtures of active and passive particles by Brownian dynamics simulations. The boundary of motility-induced phase separation is determined by the transition from unimodal to bimodal density distribution. A rapid increase of the fluctuation exponent near the boundary of phase separation in the plane of density and Péclet number was observed. When phase separation occurs, the fluctuation exponent is an approximate constant of 0.85.

Escape rate of an active Brownian particle in a rough potential

We discuss the escape problem with the consideration of both the activity of particles and the roughness of potentials.We derive analytic expressions for the escape rate of an active Brownian particle in two types of rough potentials by employing the effective equilibrium approach and the Zwanzig method.We find that activity enhances the escape rate,but both the oscillating perturbation and the random amplitude hinder escaping.