Effect of distribution shape on the melting transition, local ordering,and dynamics in a model size-polydisperse two-dimensional fluid

We study the effect of particle size polydispersity(δ) on the melting transition(T*), local ordering, solid–liquid coexistence phase and dynamics of two-dimensional Lennard–Jones fluids up to moderate polydispersity by means of computer simulations. The particle sizes are drawn at random from the Gaussian(G) and uniform(U) distribution functions.For these systems, we further consider two different kinds of particles, viz., particles having the same mass irrespective of size, and in the other case the mass of the particle scales with its size. It is observed that with increasing polydispersity,the value of T*initially increases due to improved packing efficiency(φ) followed by a decrease and terminates at δ ≈8%(U-system) and 14%(G-system) with no significant difference for both mass types. The interesting observation is that the particular value at which φ drops suddenly coincides with the peak of the heat capacity(CP) curve, indicating a transition. The quantification of local particle ordering through the hexatic order parameter(Q_6), Voronoi construction and pair correlation function reveals that the ordering decreases with increasing δ and T. Furthermore, the solid–liquid coexistence region for the G-system is shown to be comparatively wider in the T –δ plane phase diagram than that for the U system. Finally, the study of dynamics reveals that polydisperse systems relax faster compared to monodisperse systems;however, no significant qualitative differences, depending on the distribution type and mass polydispersity, are observed.

The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics simulation.In liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local structure.For Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid structure.Due to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from Zn.What is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn alloys.These results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

Triple reverse order law for the Drazin inverse

In this paper,we investigate the reverse order law for Drazin inverse of three bound-ed linear operators under some commutation relations.Moreover,the Drazin invertibility of sum is also obtained for two bounded linear operators and its expression is presented.

The Disintegration of a Floating Ferrofluid Layer into an Ordered Drop System in a Vertical Magnetic Field

Magnetic fluids,also known as ferrofluids,are versatile functional materials with a wide range of applications.These applications span from industrial uses such as vacuum seals,actuators,and acoustic devices to medical uses,including serving as contrast agents for magnetic resonance imaging(MRI),delivering medications to specific locations within the body,and magnetic hyperthermia for cancer treatment.The use of a non-wettable immiscible liquid substrate to support a layer of magnetic fluid opens up new possibilities for studying various fluid flows and related instabilities in multi-phase systems with both a free surface and an interface.The presence of two deformable boundaries within a ferrofluid layer significantly reduces the critical magnetic field strength required to transform the layer into an organized system of drops or polygonal figures evolving according to the intensity,frequency and direction of the considered magnetic field.This paper experimentally investigates this problem by assuming a uniform magnetic field perpendicular to the surface.This specific subject has not been previously explored experimentally.The critical magnetic field intensity required to destabilize the ferrofluid layer is determined based on the layer’s thickness and the fluid’s initial magnetic susceptibility.It is demonstrated that the critical magnetic field strength needed to disrupt the initially continuous ferrofluid layer increases with the layer’s thickness.Conversely,an increase in the ferrofluid’s magnetic susceptibility results in a decrease in the critical magnetic field strength.The emerging droplet structures are analyzed in terms of the number of drops,their size,and the periodicity of their arrangement.The number of droplets formed depends on the initial thickness of the layer,the presence or absence of a stable rupture in the upper layer,and the rate at which the magnetic field strength is increased to the critical value.A characteristic viscous time is proposed to evaluate the decomposition of the ferrofluid layer,which depends on the duration of the magnetic field’s application.The experimental data on the instability of a ferrofluid layer on a liquid substrate are compared with the theoretical results from the study of“magnetic fluid sandwich structures”conducted by Rannacher and Engel.This comparison highlights the similarities and differences between experimental observations and theoretical predictions,providing a deeper understanding of the behavior of ferrofluid layers under the influence of magnetic fields.

Stable immobilization of lithium polysulfides using three-dimensional ordered mesoporous Mn_(2)O_(3) as the host material in lithium-sulfur batteries

Lithium-sulfur batteries(LSBs)have drawn significant attention owing to their high theoretical discharge capacity and energy density.However,the dissolution of long-chain polysulfides into the electrolyte during the charge and discharge process(“shuttle effect”)results in fast capacity fading and inferior electrochemical performance.In this study,Mn_(2)O_(3)with an ordered mesoporous structure(OM-Mn_(2)O_(3))was designed as a cathode host for LSBs via KIT-6 hard templating,to effectively inhibit the polysulfide shuttle effect.OM-Mn_(2)O_(3)offers numerous pores to confine sulfur and tightly anchor the dissolved polysulfides through the combined effects of strong polar-polar interactions,polysulfides,and sulfur chain catenation.The OM-Mn_(2)O_(3)/S composite electrode delivered a discharge capacity of 561 mAh g^(-1) after 250 cycles at 0.5 C owing to the excellent performance of OM-Mn_(2)O_(3).Furthermore,it retained a discharge capacity of 628mA h g^(-1) even at a rate of 2 C,which was significantly higher than that of a pristine sulfur electrode(206mA h g^(-1)).These findings provide a prospective strategy for designing cathode materials for high-performance LSBs.

Advanced 3D ordered electrodes for PEMFC applications: From structural features and fabrication methods to the controllable design of catalyst layers

The catalyst layers(CLs) electrode is the key component of the membrane electrode assembly(MEA) in proton exchange membrane fuel cells(PEMFCs). Conventional electrodes for PEMFCs are composed of carbon-supported, ionomer, and Pt nanoparticles, all immersed together and sprayed with a micron-level thickness of CLs. They have a performance trade-off where increasing the Pt loading leads to higher performance of abundant triple-phase boundary areas but increases the electrode cost. Major challenges must be overcome before realizing its wide commercialization. Literature research revealed that it is impossible to achieve performance and durability targets with only high-performance catalysts, so the controllable design of CLs architecture in MEAs for PEMFCs must now be the top priority to meet industry goals. From this perspective, a 3D ordered electrode circumvents this issue with a support-free architecture and ultrathin thickness while reducing noble metal Pt loadings. Herein, we discuss the motivation in-depth and summarize the necessary CLs structural features for designing ultralow Pt loading electrodes. Critical issues that remain in progress for 3D ordered CLs must be studied and characterized. Furthermore, approaches for 3D ordered CLs architecture electrode development, involving material design, structure optimization, preparation technology, and characterization techniques, are summarized and are expected to be next-generation CLs for PEMFCs. Finally, the review concludes with perspectives on possible research directions of CL architecture to address the significant challenges in the future.

SHARP MORREY REGULARITY THEORY FOR A FOURTH ORDER GEOMETRICAL EQUATION

This paper is a continuation of recent work by Guo-Xiang-Zheng[10].We deduce the sharp Morrey regularity theory for weak solutions to the fourth order nonhomogeneous Lamm-Rivière equation △^{2}u=△(V▽u)+div(w▽u)+(▽ω+F)·▽u+f in B^(4),under the smallest regularity assumptions of V,ω,ω,F,where f belongs to some Morrey spaces.This work was motivated by many geometrical problems such as the flow of biharmonic mappings.Our results deepens the Lp type regularity theory of[10],and generalizes the work of Du,Kang and Wang[4]on a second order problem to our fourth order problems.

ENTIRE SOLUTIONS OF HIGHER ORDER DIFFERENTIAL EQUATIONS WITH ENTIRE COEFFICIENTS HAVING THE SAME ORDER

In this paper,we consider entire solutions of higher order homogeneous differential equations with the entire coefficients having the same order,and prove that the entire solutions are of infinite lower order.The properties on the radial distribution,the limit direction of the Julia set and the existence of a Baker wandering domain of the entire solutions are also discussed.

Dynamic Uncertainty:Exploring the Spatial Order of Future Digital Architecture

The spatial order of architecture has been significantly impacted by digital architectural design and production,creating a dynamic uncertainty.This study aims to explore digital architecture from the perspective of spatial order,discussing the antidote/poison effect caused by digital technologies in architectural practice and the cultural digital changes in digital architectures.The study selected four digital architecture cases,including the(W)rapper at Los Angeles by Eric Owen Moss,Beijing Daxing International Airport by Zaha Hadid,3D Print Niaokan Bridge by Xu Weiguo,and World Internet Conference Center by Yuan Feng.This study is hypothesising that the future special order of digital architectures will be a dynamic and balanced new spatial order.This new order includes the symbiosis of a human-machine and virtual-real hierarchy;the interactive co-existence between nature,humanity and technology;and the creative multi-immersive sharing of parametric information,built-environment resources and cultural artistic information.The evolution of spatial order of future digital architecture will be discussed in connection with the idea of the metaverse.The value of this work is its ability to inspire a broader examination of the new order of digital architectural space.

The B-site ordering in RFe_(0.5)Cr_(0.5)O_(3)ceramics and its effect on magnetic properties

To insight into the B-site ordering in RFe_(0.5)Cr_(0.5)O_(3)ceramics,a series of RFe_(0.5)Cr_(0.5)O_(3)ceramics(R=La,Y,Lu)were synthesized by the sol-gel method,and the structural and magnetic properties were systemically investigated.By using the Rietveld refinement of all samples,it is found that the structural distortion is increased as the R ionic radius decreases,leading to the weakened interactions between Fe/Cr ions.Moreover,the Fe and Cr are arranged in disorder in LaFe_(0.5)Cr_(0.5)O_(3),but partially ordered in YFe_(0.5)Cr_(0.5)O_(3)and LuFe_(0.5)Cr_(0.5)O_(3),showing an increasing trend of the proportion of ordered domains with the decrease of R ionic radius.Through fitting the temperature-dependent magnetizations,it is identified that the magnetization reversal(MR)in disorder LaFe_(0.5)Cr_(0.5)O_(3)is resulted from the competition between the moments of Cr and Fe sublattices.In the partially ordered YFe_(0.5)Cr_(0.5)O_(3)and LuFe_(0.5)Cr_(0.5)O_(3)ceramics,because of the presence of Fe-O-Cr networks in the ordered domains whose moment is antiparallel to that of Fe-O-Fe and Cr-O-Cr in the disordered domains,the compensation temperature T_(comp)of MR is increased by nearly 50 K.These results suggest that the changing of R-site ions could be used very effectively to modify the Fe-O-Cr ordering,apart from the structural distortion,which has a direct effect on the magnetic exchange interactions in RFe_(0.5)Cr_(0.5)O_(3)ceramics.Then at values of composition where ordered domains are expected to be larger in number as compared to disordered domains and with a weaker structural distortion,one can expect a higher transition temperature Tcomp,providing a different view for adjustment of the magnetic properties of RFe_(0.5)Cr_(0.5)O_(3)ceramics for practical applications.

On the Local Convergence and Dynamics of New Iterative Method with Sixth Order Convergence

In this paper,we construct a new sixth order iterative method for solving nonlinear equations.The local convergence and order of convergence of the new iterative method is demonstrated.In order to check the validity of the new iterative method,we employ several chemical engineering applications and academic test problems.Numerical results show the good numerical performance of the new iterative method.Moreover,the dynamical study of the new method also supports the theoretical results.

Estimation of Landfill Gas and Its Renewable Energy Potential from the Polesgo Controlled Landfill Using First-Order Decay (FOD) Models

Methane generation in landfills and its inadequate management represent the major avoidable source of anthropogenic methane today. This paper models methane production and the potential resources expected (electrical energy production and potential carbon credits from avoided CH4 emissions) from its proper management in a municipal solid waste landfill located in Ouagadougou, Burkina Faso. The modeling was carried out using two first-order decay (FOD) models (LandGEM V3.02 and SWANA) using parameters evaluated on the basis of the characteristics of the waste admitted to the landfill and weather data for the site. At the same time, production data have been collected since 2016 in order to compare them with the model results. The results obtained from these models were compared to experimental one. For the simulation of methane production, the SWANA model showed better consistency with experimental data, with a coefficient of determination (R²) of 0.59 compared with the LandGEM model, which obtained a coefficient of 0.006. Thus, despite the low correlation values linked to the poor consistency of experimental data, the SWANA model models methane production much better than the LandGEM model. Thus, despite the low correlation values linked to the poor consistency of the experimental data, the SWANA model models methane production much better than the LandGEM V3.02 model. It was noted that the poor consistency of the experimental data justifies these low coefficients, and that they can be improved in the future thanks to ongoing in situ measurements. According to the SWANA model prediction, in 27 years of operation a biogas plant with 33% electrical efficiency using biogas from the Polesgo landfill would avoid 1,340 GgCO2e. Also, the evaluation of revenues due to electricity and carbon credit gave a total revenue derived from methane production of US$27.38 million at a cost of US$10.5/tonne CO2e.

Galerkin-Bernstein Approximations for the System of Third-Order Nonlinear Boundary Value Problems

This paper is devoted to find the numerical solutions of one dimensional general nonlinear system of third-order boundary value problems (BVPs) for the pair of functions using Galerkin weighted residual method. We derive mathematical formulations in matrix form, in detail, by exploiting Bernstein polynomials as basis functions. A reasonable accuracy is found when the proposed method is used on few examples. At the end of the study, a comparison is made between the approximate and exact solutions, and also with the solutions of the existing methods. Our results converge monotonically to the exact solutions. In addition, we show that the derived formulations may be applicable by reducing higher order complicated BVP into a lower order system of BVPs, and the performance of the numerical solutions is satisfactory. .

High-Order Soliton Solutions and Hybrid Behavior for the (2 + 1)-Dimensional Konopelchenko-Dubrovsky Equations

In this paper, the evolutionary behavior of N-solitons for a (2 + 1)-dimensional Konopelchenko-Dubrovsky equations is studied by using the Hirota bilinear method and the long wave limit method. Based on the N-soliton solution, we first study the evolution from N-soliton to T-order (T=1,2) breather wave solutions via the paired-complexification of parameters, and then we get the N-order rational solutions, M-order (M=1,2) lump solutions, and the hybrid behavior between a variety of different types of solitons combined with the parameter limit technique and the paired-complexification of parameters. Meanwhile, we also provide a large number of three-dimensional figures in order to better show the degeneration of the N-soliton and the interaction behavior between different N-solitons.

The Convergence Rate of Fréchet Distribution under the Second-Order Regular Variation Condition

In this article we consider the asymptotic behavior of extreme distribution with the extreme value index γ>0 . The rates of uniform convergence for Fréchet distribution are constructed under the second-order regular variation condition.

Introducing the nth-Order Features Adjoint Sensitivity Analysis Methodology for Nonlinear Systems (nth-FASAM-N): I. Mathematical Framework

This work presents the “nth-Order Feature Adjoint Sensitivity Analysis Methodology for Nonlinear Systems” (abbreviated as “nth-FASAM-N”), which will be shown to be the most efficient methodology for computing exact expressions of sensitivities, of any order, of model responses with respect to features of model parameters and, subsequently, with respect to the model’s uncertain parameters, boundaries, and internal interfaces. The unparalleled efficiency and accuracy of the nth-FASAM-N methodology stems from the maximal reduction of the number of adjoint computations (which are considered to be “large-scale” computations) for computing high-order sensitivities. When applying the nth-FASAM-N methodology to compute the second- and higher-order sensitivities, the number of large-scale computations is proportional to the number of “model features” as opposed to being proportional to the number of model parameters (which are considerably more than the number of features).When a model has no “feature” functions of parameters, but only comprises primary parameters, the nth-FASAM-N methodology becomes identical to the extant nth CASAM-N (“nth-Order Comprehensive Adjoint Sensitivity Analysis Methodology for Nonlinear Systems”) methodology. Both the nth-FASAM-N and the nth-CASAM-N methodologies are formulated in linearly increasing higher-dimensional Hilbert spaces as opposed to exponentially increasing parameter-dimensional spaces thus overcoming the curse of dimensionality in sensitivity analysis of nonlinear systems. Both the nth-FASAM-N and the nth-CASAM-N are incomparably more efficient and more accurate than any other methods (statistical, finite differences, etc.) for computing exact expressions of response sensitivities of any order with respect to the model’s features and/or primary uncertain parameters, boundaries, and internal interfaces.

Introducing the nth-Order Features Adjoint Sensitivity Analysis Methodology for Nonlinear Systems (nth-FASAM-N): II. Illustrative Example

This work highlights the unparalleled efficiency of the “nth-Order Function/ Feature Adjoint Sensitivity Analysis Methodology for Nonlinear Systems” (nth-FASAM-N) by considering the well-known Nordheim-Fuchs reactor dynamics/safety model. This model describes a short-time self-limiting power excursion in a nuclear reactor system having a negative temperature coefficient in which a large amount of reactivity is suddenly inserted, either intentionally or by accident. This nonlinear paradigm model is sufficiently complex to model realistically self-limiting power excursions for short times yet admits closed-form exact expressions for the time-dependent neutron flux, temperature distribution and energy released during the transient power burst. The nth-FASAM-N methodology is compared to the extant “nth-Order Comprehensive Adjoint Sensitivity Analysis Methodology for Nonlinear Systems” (nth-CASAM-N) showing that: (i) the 1st-FASAM-N and the 1st-CASAM-N methodologies are equally efficient for computing the first-order sensitivities;each methodology requires a single large-scale computation for solving the “First-Level Adjoint Sensitivity System” (1st-LASS);(ii) the 2nd-FASAM-N methodology is considerably more efficient than the 2nd-CASAM-N methodology for computing the second-order sensitivities since the number of feature-functions is much smaller than the number of primary parameters;specifically for the Nordheim-Fuchs model, the 2nd-FASAM-N methodology requires 2 large-scale computations to obtain all of the exact expressions of the 28 distinct second-order response sensitivities with respect to the model parameters while the 2nd-CASAM-N methodology requires 7 large-scale computations for obtaining these 28 second-order sensitivities;(iii) the 3rd-FASAM-N methodology is even more efficient than the 3rd-CASAM-N methodology: only 2 large-scale computations are needed to obtain the exact expressions of the 84 distinct third-order response sensitivities with respect to the Nordheim-Fuchs model’s parameters when applying the 3rd-FASAM-N methodology, while the application of the 3rd-CASAM-N methodology requires at least 22 large-scale computations for computing the same 84 distinct third-order sensitivities. Together, the nth-FASAM-N and the nth-CASAM-N methodologies are the most practical methodologies for computing response sensitivities of any order comprehensively and accurately, overcoming the curse of dimensionality in sensitivity analysis.

基于Ordered Probit模型的人车冲突安全影响因素研究

为探究和定量分析人车冲突严重程度的影响因素,通过采集3个信号交叉口的人车冲突视频数据,利用T-Analyst标定人车轨迹并计算冲突指标(PET),采用85%位累计频率曲线法划分人车冲突等级;从人、车、路及环境特征中选取10个因素作为变量,构建Ordered Probit模型,以确立人车冲突严重程度的显著影响因素,并通过边际效应定量分析不同显著因素的影响程度。研究结果表明:行人闯红灯情况、年龄、行人交通量、人行道占用情况、人行道起点终点、车辆速度变化及车流量是人车冲突严重程度的显著因素,相较于各自参考量,行人闯红灯、车辆加速通过冲突点、人行道起点及老年人造成严重冲突的概率分别增加8.2%,5.9%,5.1%,4.4%;相较于低流量的交通流,较高流量的车流和行人交通流使得严重冲突的概率分别增加3.7%,2.5%,但人行道占用使得严重冲突的概率下降6.8%。研究结果可为信号交叉口行人过街交通安全设施的设计和实施提供理论依据。

基于Ordered Logit模型的民办高校科研成果转化影响因素研究

为研究民办高校科研成果转化影响因素,在专家访谈和实地调研的基础上,对K高校、C高校、B高校、Z高校等民办高校教师发放调查问卷收集数据,应用Ordered Logit模型对其影响因素进行了实证分析。分析发现,科研经费支持力度与科研成果数量之间呈正相关关系,高校科研平台设置与服务地方经济建设之间呈正相关关系,高校科研管理制度与科研成果转化成效之间呈正相关关系。由此得出结论:我国民办高校科研成果转化与服务地方经济能力有待提升,民办高校科研成果转化的金融支持不够灵活、公共服务平台不够健全,完善民办高校科研管理制度是提高科研成果转化效率的重要保障。

Transformation of long-period stacking ordered structures in Mg-Gd-Y-Zn alloys upon synergistic characterization of first-principles calculation and experiment and its effects on mechanical properties

Based on experiments and first-principles calculations,the microstructures and mechanical properties of as-cast and solution treated Mg-10Gd-4Y-xZn-0.6Zr(x=0,1,2,wt.%)alloys are investigated.The transformation process of long-period stacking ordered(LPSO)structure during solidification and heat treatment and its effect on the mechanical properties of experimental alloys are discussed.Results reveal that the stacking faults and 18R LPSO phases appear in the as-cast Mg-10Gd-4Y-1Zn-0.6Zr and Mg-10Gd-4Y-2Zn-0.6Zr alloys,respectively.After solution treatment,the stacking faults and 18R LPSO phase transform into 14H LPSO phase.The Enthalpies of formation and reaction energy of 14H and 18R LPSO are calculated based on first-principles.Results show that the alloying ability of 18R is stronger than that of 14H.The reaction energies show that the 14H LPSO phase is more stable than the 18R LPSO.The elastic properties of the 14H and 18R LPSO phases are also evaluated by first-principles calculations,and the results are in good agreement with the experimental results.The precipitation of LPSO phase improves the tensile strength,yield strength and elongation of the alloy.After solution treatment,the Mg-10Gd-4Y-2Zn-0.6Zr alloy has the best mechanical properties,and its ultimate tensile strength and yield strength are 278.7 MPa and 196.4 MPa,respectively.The elongation of Mg-10Gd-4Y-2Zn-0.6Zr reaches 15.1,which is higher than that of Mg-10Gd-4Y0.6Zr alloy.The improving mechanism of elastic modulus by the LPSO phases and the influence on the alloy mechanical properties are also analyzed.