Multi-objective global optimization approach predicted quasi-layered ternary TiOS crystals with promising photocatalytic properties

Titanium dioxide(TiO_(2))has attracted considerable research attentions for its promising applications in solar cells and photocatalytic devices.However,the intrinsic challenge lies in the relatively low energy conversion efficiency of TiO_(2),primarily attributed to the substantial band gaps(exceeding 3.0 eV)associated with its rutile and anatase phases.Leveraging multi-objective global optimization,we have identified two quasi-layered ternary Ti-O-S crystals,composed of titanium,oxygen,and sulfur.The calculations of formation energy,phonon dispersions,and thermal stability confirm the chemical,dynamical and thermal stability of these newly discovered phases.Employing the state-of-art hybrid density functional approach and many-body perturbation theory(quasiparticle GW approach and Bethe-Salpeter equation),we calculate the optical properties of both the TiOS phases.Significantly,both phases show favorable photocatalytic characteristics,featuring band gaps suitable for visible optical absorption and appropriate band alignments with water for effective charge carrier separation.Therefore,ternary compound TiOS holds the potential for achieving high-efficiency photochemical conversion,showing our multi-objective global optimization provides a new approach for novel environmental and energy materials design with multicomponent compounds.

Global Piecewise Analysis of HIV Model with Bi-Infectious Categories under Ordinary Derivative and Non-Singular Operator with Neural Network Approach

This study directs the discussion of HIV disease with a novel kind of complex dynamical generalized and piecewise operator in the sense of classical and Atangana Baleanu(AB)derivatives having arbitrary order.The HIV infection model has a susceptible class,a recovered class,along with a case of infection divided into three sub-different levels or categories and the recovered class.The total time interval is converted into two,which are further investigated for ordinary and fractional order operators of the AB derivative,respectively.The proposed model is tested separately for unique solutions and existence on bi intervals.The numerical solution of the proposed model is treated by the piece-wise numerical iterative scheme of Newtons Polynomial.The proposed method is established for piece-wise derivatives under natural order and non-singular Mittag-Leffler Law.The cross-over or bending characteristics in the dynamical system of HIV are easily examined by the aspect of this research having a memory effect for controlling the said disease.This study uses the neural network(NN)technique to obtain a better set of weights with low residual errors,and the epochs number is considered 1000.The obtained figures represent the approximate solution and absolute error which are tested with NN to train the data accurately.

Molecular simulation study of the microstructures and properties of pyridinium ionic liquid[HPy][BF_(4)]mixed with acetonitrile

The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.

Global transplantation:Lessons from organ transplantation organizations worldwide

Although national transplant organizations share common visions and goals,the creation of a unified global organization remains impractical.Differences in ethnicity,culture,religion,and education shape local practices and infrastructure,making the establishment of a single global entity unfeasible.Even with these social disparities aside,logistical factors such as time and distance between organ procurement and transplantation sites pose significant challenges.While technological advancements have extended organ preservation times,they have yet to support the demands of transcontinental transplantations effectively.This review presents a comparative analysis of the structures,operational frameworks,policies,and legislation governing various transplant organizations around the world.Key differences pertain to the administration of these organizations,trends in organ donation,and organ allocation policies,which reflect the financial,cultural,and religious diversity across different regions.While a global transplant organization may be out of reach,agreeing on best practices for the benefit of patients is essential.

Global Soultions and Asymptotic Properties for a Class of Partial Differential Equations

This paper is concerned with the generalzed global solution and its asymptotic properties for the initial value problem of the partial differential equationu t+u x 3 =F(u).

A New Class of Nonlinear Conjugate Gradient Methods with Global Convergence Properties

非线性共轭梯度法由于其迭代简单和储存量小,且搜索方向不需要满足正割条件,在求解大规模无约束优化问题时占据及其重要的地位.提出了一类新的共轭梯度法,其搜索方向是目标函数的下降方向.若假设目标函数连续可微且梯度满足Lipschitz条件,线性搜索满足Wolfe原则,讨论了所设计算法的全局收敛性.

Oruxmaps软件结合Global Mapper软件在矿产资源行业并购中的应用

纸质地质图结合手持GPS,采用手工方式野外记录的传统地质调查工作方式已不能适应数字化和信息化的要求,在矿产资源并购项目中,运用Oruxmaps、Global Mapper等软件,可以制作适应地质调查工作所特需的离线地质图,实现地质图、GPS定位、路线轨迹记录、文字记录、影像记录等的有机结合,形成了一套行之有效的工作流程,极大地提高了路线地质调查工作的质量和效率。

Global Mapper在水库库容计算及淤积分析中的应用研究

基于快捷精准计算水库库容,并与原始库容对比分析库容淤积的目的,使用Global Mapper软件的库容计算和DEM叠加分析功能,通过水库库容复核工程实例进行应用试验,结果表明使用Global Mapper计算库容的结果精度与等高线法的库容结果相当,计算高效、结果可靠,DEM叠加分析成果可以直观展示库容淤积分布,有助于为管理单位冲淤冲沙提供决策。

GLOBAL ASYMPTOTICAL PROPERTIES FOR A DIFFUSED HBV INFECTION MODEL WITH CTL IMMUNE RESPONSE AND NONLINEAR INCIDENCE

This article proposes a diffused hepatitis B virus （HBV） model with CTL immune response and nonlinear incidence for the control of viral infections. By means of different Lyapunov functions, the global asymptotical properties of the viral-free equilibrium and immune-free equilibrium of the model are obtained. Global stability of the positive equilibrium of the model is also considered. The results show that the free diffusion of the virus has no effect on the global stability of such HBV infection problem with Neumann homogeneous boundary conditions.

Analysis and Evaluation of the Global Aerosol Optical Properties Simulated by an Online Aerosol-coupled Non-hydrostatic Icosahedral Atmospheric Model

Aerosol optical properties are simulated using the Spectral Radiation Transport Model I~）r Aerosol Species （SPRINTARS） coupled with the Non-hydrostatic ICosahedral Atmospheric Model （NICAM）. The 3-year global mean all-sky aerosol optical thickness （AOT） at 550 nm, theAngstr/Sm Exponent （AE） based on AOTs at 440 and 870 nm, and the single scattering albedo （SSA） at 550 nm are estimated at 0.123, 0.657 and 0.944, respectively. For each aerosol species, the mean AOT is within the range of the AeroCom models. Both the modeled all-sky and clear-sky results are compared with observations from the Moderate Resolution Imaging Spectroradiometer （MODIS） and the Aerosol Robotic Network （AERONET）. The simulated spatiotemporal distributions of all-sky AOTs can generally reproduce the MODIS retrievals, and the correlation and model skill can be slightly improved using the clear-sky results over most land regions. The differences between clear-sky and all-sky AOTs are larger over polluted regions. Compared with observations from AERONET, the modeled and observed all-sky AOTs and AEs are generally in reasonable agreement, whereas the SSA variation is not well captured. Although the spatiotemporal distributions of all-sky and clear-sky results are similar, the clear-sky results are generally better correlated with the observations. The clear-sky AOT and SSA are generally lower than the all-sky results, especially in those regions where the aerosol chemical composition is contributed to mostly by sulfate aerosol. The modeled clear-sky AE is larger than the all-sky AE over those regions dominated by hydrophilic aerosol, while the＇opposite is found over regions dominated by hydrophobic aerosol.

Properties and Characteristics of Regolith-Based Materials for Extraterrestrial Construction

The construction of extraterrestrial bases has become a new goal in the active exploration of deep space.Among the construction techniques,in situ resource-based construction is one of the most promising because of its good sustainability and acceptable economic cost,triggering the development of various types of extraterrestrial construction materials.A comprehensive survey and comparison of materials from the perspective of performance was conducted to provide suggestions for material selection and optimization.Thirteen types of typical construction materials are discussed in terms of their reliability and applicability in extreme extraterrestrial environment.Mechanical,thermal and optical,and radiation-shielding properties are considered.The influencing factors and optimization methods for these properties are analyzed.From the perspective of material properties,the existing challenges lie in the comprehensive,long-term,and real characterization of regolith-based construction materials.Correspondingly,the suggested future directions include the application of high-throughput characterization methods,accelerated durability tests,and conducting extraterrestrial experiments.

Physical,mechanical and thermal properties of vacuum sintered HUST-1 lunar regolith simulant

Establishing a base on the Moon is one of the new goals of human lunar exploration in recent years.Sintered lunar regolith is one of the most potential building materials for lunar bases.The physical,mechanical and thermal properties of sintered lunar regolith are vital performance indices for the structural design of a lunar base and analysis of many critical mechanical and thermal issues.In this study,the HUST-1 lunar regolith simulant(HLRS)was sintered at 1030,1040,1050,1060,1070,and 1080℃.The effect of sintering temperature on the compressive strength was investigated,and the exact value of the optimum vacuum sintering temperature was determined between 1040 and 1060℃.Then,the microstructure and material composition of vacuum sintered HLRS at different temperatures were characterized.It was found that the sintering temperature has no significant effect on the mineral composition in the temperature range of 1030-1080℃.Besides,the heat capacity,thermal conductivity,and coefficient of thermal expansion(CTE)of vacuum sintered HLRS at different temperatures were investigated.Specific heat capacity of sintered samples increases with the increase of test temperature within the temperature range from-75 to 145℃.Besides,the thermal conductivity of the sintered sample is proportional to density.Finally,the two temperatures of 1040 and 1050℃were selected for a more detailed study of mechanical properties.The results showed that compressive strength of sintered sample is much higher than tensile strength.This study reveals the effects of sintering temperature on the physical,mechanical and thermal properties of vacuum sintered HLRS,and these material parameters will provide support for the construction of future lunar bases.

El Niño and the AMO Sparked the Astonishingly Large Margin of Warming in the Global Mean Surface Temperature in 2023

In 2023,the majority of the Earth witnessed its warmest boreal summer and autumn since 1850.Whether 2023 will indeed turn out to be the warmest year on record and what caused the astonishingly large margin of warming has become one of the hottest topics in the scientific community and is closely connected to the future development of human society.We analyzed the monthly varying global mean surface temperature(GMST)in 2023 and found that the globe,the land,and the oceans in 2023 all exhibit extraordinary warming,which is distinct from any previous year in recorded history.Based on the GMST statistical ensemble prediction model developed at the Institute of Atmospheric Physics,the GMST in 2023 is predicted to be 1.41℃±0.07℃,which will certainly surpass that in 2016 as the warmest year since 1850,and is approaching the 1.5℃ global warming threshold.Compared to 2022,the GMST in 2023 will increase by 0.24℃,with 88%of the increment contributed by the annual variability as mostly affected by El Niño.Moreover,the multidecadal variability related to the Atlantic Multidecadal Oscillation(AMO)in 2023 also provided an important warming background for sparking the GMST rise.As a result,the GMST in 2023 is projected to be 1.15℃±0.07℃,with only a 0.02℃ increment,if the effects of natural variability—including El Niño and the AMO—are eliminated and only the global warming trend is considered.

Global Properties of Evolutional Lotka-Volterra System

We will study global properties of evolutional Lotka-Volterra system. We assume that the predatory efficiency is a function of a character of species whose evolution obeys a quantitative genetic model. We will show that the structure of a solution is rather different from that of a non-evolutional system. We will analytically show new ecological features of the dynamics.

‘Partly'globalized networks and driving mechanism in resource-based state-owned enterprises:A case study of J Group

In the context of economic globalization,while multinational enterprises from developed countries occupy a high-end position in the global value chain,enterprises from developing countries are often marginalized in the world market.In China,resource-based state-owned enterprises(SOEs)are tasked with the mission of safeguarding resource security,and their internationalization development ideas and strategic deployment are significantly and fundamentally different from those of other non-state-owned enterprises and large multinational corporations.This study provides ideas for the globalization policies of enterprises in developing countries.We consider J Group in western China as a case and discuss its productive investment and global production network development from 2010 to 2019.We found that J Group was‘Partly'globalized,and there are multiple core nodes with the characteristics of centralized and decentralized coexistence in the production network;in addition,the overall layout centre shifted to Southeast Asia and China;however,its global production was restricted by the enterprise's investment security considerations,support and restrictions of the home country,political security risk of the host country,and sanctions from the West.These findings provide insights for future research:under the wave of anti-globalization and'internal circulation as the main body',resource SOEs should consider the potential risk of investment,especially keeping the middle and downstream industrial chain in China as much as possible.

Record-breaking High-temperature Outlook for 2023: An Assessment Based on the China Global Merged Temperature(CMST) Dataset

According to the latest version(version 2.0) of the China global Merged Surface Temperature(CMST2.0) dataset, the global mean surface temperature(GMST) in the first half of 2023 reached its third warmest value since the period of instrumental observation began, being only slightly lower than the values recorded in 2016 and 2020, and historically record-breaking GMST emerged from May to July 2023. Further analysis also indicates that if the surface temperature in the last five months of 2023 approaches the average level of the past five years, the annual average surface temperature anomaly in 2023 of approximately 1.26°C will break the previous highest surface temperature, which was recorded in 2016of approximately 1.25°C(both values relative to the global pre-industrialization period, i.e., the average value from 1850 to1900). With El Ni?o triggering a record-breaking hottest July, record-breaking average annual temperatures will most likely become a reality in 2023.

Global hybrid simulations of soft X-ray emissions in the Earth’s magnetosheath

Earth’s magnetopause is a thin boundary separating the shocked solar wind plasma from the magnetospheric plasmas,and it is also the boundary of the solar wind energy transport to the magnetosphere.Soft X-ray imaging allows investigation of the large-scale magnetopause by providing a two-dimensional(2-D)global view from a satellite.By performing 3-D global hybrid-particle-in-cell(hybrid-PIC)simulations,we obtain soft X-ray images of Earth’s magnetopause under different solar wind conditions,such as different plasma densities and directions of the southward interplanetary magnetic field.In all cases,magnetic reconnection occurs at low latitude magnetopause.The soft X-ray images observed by a hypothetical satellite are shown,with all of the following identified:the boundary of the magnetopause,the cusps,and the magnetosheath.Local X-ray emissivity in the magnetosheath is characterized by large amplitude fluctuations(up to 160%);however,the maximum line-of-sight-integrated X-ray intensity matches the tangent directions of the magnetopause well,indicating that these fluctuations have limited impact on identifying the magnetopause boundary in the X-ray images.Moreover,the magnetopause boundary can be identified using multiple viewing geometries.We also find that solar wind conditions have little effect on the magnetopause identification.The Solar wind Magnetosphere Ionosphere Link Explorer(SMILE)mission will provide X-ray images of the magnetopause for the first time,and our global hybrid-PIC simulation results can help better understand the 2-D X-ray images of the magnetopause from a 3-D perspective,with particle kinetic effects considered.

High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

A review on the multi-scaled structures and mechanical/thermal properties of tool steels fabricated by laser powder bed fusion additive manufacturing

The laser powder bed fusion(LPBF) process can integrally form geometrically complex and high-performance metallic parts that have attracted much interest,especially in the molds industry.The appearance of the LPBF makes it possible to design and produce complex conformal cooling channel systems in molds.Thus,LPBF-processed tool steels have attracted more and more attention.The complex thermal history in the LPBF process makes the microstructural characteristics and properties different from those of conventional manufactured tool steels.This paper provides an overview of LPBF-processed tool steels by describing the physical phenomena,the microstructural characteristics,and the mechanical/thermal properties,including tensile properties,wear resistance,and thermal properties.The microstructural characteristics are presented through a multiscale perspective,ranging from densification,meso-structure,microstructure,substructure in grains,to nanoprecipitates.Finally,a summary of tool steels and their challenges and outlooks are introduced.

Tetrahedral framework nucleic acids/hyaluronic acidmethacrylic anhydride hybrid hydrogel with antimicrobial and anti-inflammatory properties for infected wound healing

Bacterial resistance and excessive inflammation are common issues that hinder wound healing.Antimicrobial peptides(AMPs)offer a promising and versatile antibacterial option compared to traditional antibiotics,with additional anti-inflammatory properties.However,the applications of AMPs are limited by their antimicrobial effects and stability against bacterial degradation.TFNAs are regarded as a promising drug delivery platform that could enhance the antibacterial properties and stability of nanodrugs.Therefore,in this study,a composite hydrogel(HAMA/t-GL13K)was prepared via the photocross-linking method,in which tFNAs carry GL13K.The hydrogel was injectable,biocompatible,and could be instantly photocured.It exhibited broad-spectrum antibacterial and anti-inflammatory properties by inhibiting the expression of inflammatory factors and scavenging ROS.Thereby,the hydrogel inhibited bacterial infection,shortened the wound healing time of skin defects in infected skin full-thickness defect wound models and reduced scarring.The constructed HAMA/tFNA-AMPs hydrogels exhibit the potential for clinical use in treating microbial infections and promoting wound healing.