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.

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.

The gas discharge visualization(GDV)order parameter model based on the principle of mastering both permanence and change

Objective To investigate the human body’s complex system,and classify and characterize the human body’s health states with“a comprehensive integrated method from qualitative to quantitative”.Methods This paper introduces the concept of“order parameters”and proposes a method for establishing an order parameter model of gas discharge visualization(GDV)based on the principle of“mastering both permanence and change(MBPC)”.The method involved the fol-lowing three steps.First,average luminous intensity(I)and average area(S)of the GDV im-ages were calculated to construct the phase space,and the score of the health questionnaire was calculated as the health deviation index(H).Second,the k-means++clustering method was employed to identify subclasses with the same health characteristics based on the data samples,and to statistically determine the symptom-specific frequencies of the subclasses.Third,the distance(d)between each sample and the“ideal health state”,which determined in the phase space of each subclass,was calculated as an order parameter describing the health imbalance,and a linear mapping was established between the d and the H.Further,the health implications of GDV signals were explored by analyzing subclass symptom profiles.We also compare the mean square error(MSE)with classification methods based on age,gen-der,and body mass index(BMI)indices to verify that the phase space possesses the ability to portray the health status of the human body.Results This study preliminarily tested the reliability of the order parameter model on data samples provided by 20 participants.Based on the discovered linear law,the current model can use d calculated by measuring the GDV signal to predict H(R^(2)>0.77).Combined with the symptom profiles of the subclasses,we explain the classification basis of the phase space based on the pattern identification.Compared with common classification methods based on age,gender,BMI,etc.,the MSE of phase space-based classification was reduced by an order of magnitude.Conclusion In this study,the GDV order parameter model based on MBPC can identify sub-classes and characterize individual health levels,and explore the TCM health meanings of the GDV signals by using subjective-objective methods,which holds significance for establishing mathematical models from TCM diagnosis principles to interpret human body signals.

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.

Synthesis of three-dimensional ordered mesoporous MnO_2 and its catalytic performance in formaldehyde oxidation

Three-dimensional（3D）ordered mesoporous MnO2 was prepared using KIT-6 mesoporous molecular sieves as a hard template.The material was used for catalytic oxidation of HCHO.The material has high surface areas and the mesoporous characteristics of the template,with cubic symmetry（ia3d）.It consists of a β-MnO2 crystalline phase corresponding to pyrolusite,with a rutile structure.Transmission electron microscopy and X-ray photoelectron spectroscopy showed that the 3D-MnO2 catalyst has a large number of exposed Mn4＋ ions on the（110）crystal plane surfaces,with a lattice spacing of 0.311 nm; this enhances oxidation of HCHO.Complete conversion of HCHO to CO2 and H2O was achieved at 130 °C on 3D-MnO2; the same conversions on α-MnO2 and β-MnO2 nanorods were obtained at 140 and 180 °C,respectively,under the same conditions.The specific mesoporous structure,high specific surface area,and large number of surface Mn4＋ ions are responsible for the catalytic activity of 3D-MnO2 in HCHO oxidation.

The Precise Order and Singular Directions of Meromorphic Functions

The rnemmorphic functions of positive order(both finite positive order and infinite order) are discussed.First,the precise order and type function are given by using the characteristic function.Then some singular directions are defined and their existence is proved.

On The Conceptions of Time and Order in Faulkner's The Sound and The Fury

The publication of the famous novel The Sound and The Fury projects the long-enduring reputation of William Faulkner as a household American writer in every nook and cranny of the world.Just in this novel,Faulkner employs the literary device of stream of consciousness and makes a good play with time and order to his own joy,which makes it an outstanding literary feature in the novel.In this essay,the unusual conceptions of time and order in the novel are tentatively probed mainly from the following three perspectives:1) the initiative for Faulkner creating the novel as a novel against time and order.2) the disordered arrangement as an artistic device——the optimum key to delivering the story.3) the potential order underlying the seeming disorder in the novel.

Supplier selection and order splitting modeling in the pr esence of supplier capacity and resilience

To solve the problem of a supplier＇s failure to deliver thus impacting supply chain system performance in the supply chain operating process, a model of supplier selection and order splitting in the context of a multiple sourcing setting is proposed. First, by the analysis of the elements of expected total costs of the buyer firm, namely, expected loss costs, resilience effort costs, supplier maintenance costs, and cycle purchase costs, the expected total costs function is obtained. And then, the effects of supplier characters on the supplier selection and order splitting decisionmaking are investigated by numerical examples. The results show that the maximum delivery capacity, the probability of failure to deliver and the resilience parameters are crucial elements in determining which suppliers should be selected and how to do order splitting between suppliers. Finally, current analyses focus only on the expected total costs of the buyer firm but ignore the suppliers＇ costs： thus, it is more interesting to examine the supplier decisions from both parties＇ points of view.

WELL-POSEDNESS AND PEAKON SOLUTIONS FOR A HIGHER ORDER CAMASSA-HOLM TYPE EQUATION

In this paper,we delve into a generalized higher order Camassa-Holm type equation,(or,an ghmCH equation for short).We establish local well-posedness for this equation under the condition that the initial data uo belongs to the Sobolev space H'(R)for some s>2.In addition,we obtain the weak formulation of this equation and prove the existence of both single peakon solution and a multi-peakon dynamic system.

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.

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.

TheValueOrderof“Love”inTeacher-StudentInteraction：anExplorationintoTeachers’LoveGenerationMachanismBasedonHuoMaozhengandSiXia’SLovePractice

“师爱”是教育成功的前提，是优秀教师的核心价值品质；同时，“师爱”也是教育理论界研究的热点问题之一。但是理论界对“师爱”的认识比较模糊、研究缺乏深度，特别是对其发生机制的研究更少。著名的情感现象学家舍勒认为，在整个价值王国中，价值的相互关系具有一定的“级序”。根据这一理论，如果一个价值比另一个价值“更高”或“更低”，那么，就形成了价值秩序。价值秩序是支配一个人行为的价值品质秩序。爱作为师生交往的核心价值，教师爱的行为同样受爱的价值秩序的支配。从国内“师爱”名师霍懋征和斯霞的“师爱”实践来看，“师爱”的发生机制具有层次性或秩序性，它依次呈现为人性之爱、教育之爱，以及学生种种具体的爱，如公正、尊重等。

Influence of Local Cation Order on Electronic Structure and Optical Properties of Cation-Disordered Semiconductor AgBiS_(2)

Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and detrimentally.However,the uncertain local order and structure pose a challenge for experimental and theoretical research.Especially,it hinders the investigation of the effects of the diverse local atomic environments resulting from the site disorder.We employ the special quasi-random structure method to perform first-principles research on connection between local site disorder and electronic/optical properties,using cationdisordered AgBiS_(2)(rock salt phase)as an example.We predict that cation-disordered AgBiS_(2)has a bandgap ranging from 0.6 to 0.8 eV without spin-orbit coupling and that spin-orbit coupling reduces this by approximately 0.3 eV.We observe the effects of local structural features in the disordered lattice,such as the one-dimensional chain-like aggregation of cations that results in formation of doping energy bands near the band edges,formation and broadening of band-tail states,and the disturbance in the local electrostatic potential,which significantly reduces the bandgap and stability.The influence of these ordered features on the optical properties is confined to alterations in the bandgap and does not markedly affect the joint density of states or optical absorption.Our study provides a research roadmap for exploring the electronic structure of site-disordered semiconductor materials,suggests that the ordered chain-like aggregation of cations is an effective way to regulate the bandgap of AgBiS_(2),and provides insight into how variations in local order associated with processing can affect properties.

Pt nanoparticles entrapped in ordered mesoporous carbons:An efficient catalyst for the liquid-phase hydrogenation of nitrobenzene and its derivatives

Pt nanoparticles entrapped in ordered mesoporous CMK-3 carbons with p6mm symmetry were prepared using a facile impregnation method, and the resulting materials were characterized using X-ray diffraction spectroscopy, N2 adsorption-desorption, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy. The Pt nanoparticles were highly dispersed in the CMK-3 with 43.7% dispersion. The Pt/CMK-3 catalyst was an effective catalyst for the liquid-phase hydrogenation of nitrobenzene and its derivatives under the experimental conditions studied here. The Pt/CMK-3 catalyst was more active than commercial Pt/C catalyst in most cases. A highest turnover frequency of 43.8 s-1 was measured when the Pt/CMK-3 catalyst was applied for the hydrogenation of 2-methyl-nitrobenzene in ethanol under optimal conditions. It is worthy of note that the Pt/CMK-3 catalyst could be recycled easily, and could be reused at least fourteen times without any loss in activity or selectivity for the hydrogenation of nitrobenzene in ethanol.

Fractional-order heterogeneous memristive Rulkov neuronal network and its medical image watermarking application

This article proposes a novel fractional heterogeneous neural network by coupling a Rulkov neuron with a Hopfield neural network(FRHNN),utilizing memristors for emulating neural synapses.The study firstly demonstrates the coexistence of multiple firing patterns through phase diagrams,Lyapunov exponents(LEs),and bifurcation diagrams.Secondly,the parameter related firing behaviors are described through two-parameter bifurcation diagrams.Subsequently,local attraction basins reveal multi-stability phenomena related to initial values.Moreover,the proposed model is implemented on a microcomputer-based ARM platform,and the experimental results correspond to the numerical simulations.Finally,the article explores the application of digital watermarking for medical images,illustrating its features of excellent imperceptibility,extensive key space,and robustness against attacks including noise and cropping.

Pedestrian lane formation with following–overtaking model and measurement of system order

Pedestrian self-organizing movement plays a significant role in evacuation studies and architectural design.Lane formation,a typical self-organizing phenomenon,helps pedestrian system to become more orderly,the majority of following behavior model and overtaking behavior model are imprecise and unrealistic compared with pedestrian movement in the real world.In this study,a pedestrian dynamic model considering detailed modelling of the following behavior and overtaking behavior is constructed,and a method of measuring the lane formation and pedestrian system order based on information entropy is proposed.Simulation and analysis demonstrate that the following and avoidance behaviors are important factors of lane formation.A high tendency of following results in good lane formation.Both non-selective following behavior and aggressive overtaking behavior cause the system order to decrease.The most orderly following strategy for a pedestrian is to overtake the former pedestrian whose speed is lower than approximately 70%of his own.The influence of the obstacle layout on pedestrian lane and egress efficiency is also studied with this model.The presence of a small obstacle does not obstruct the walking of pedestrians;in contrast,it may help to improve the egress efficiency by guiding the pedestrian flow and mitigating the reduction of pedestrian system orderliness.