Plasma electrolytic oxidation of AZ31 and AZ91 magnesium alloys:Comparison of coatings formation mechanism

The growth kinetics of PEO coatings on AZ31 and AZ91 magnesium alloys were studied and correlated with their structure,compositions(phase and elemental)and corrosion resistance.It was established that the coatings have a two-(outer and anodic)or three-layer structure(outer,inner and anodic)depending on the treatment time.Briefly,at short treatment time only an anodic layer and outer layer exists.Growth of the outer PEO layer takes place due to the micro discharges,which occur in vertical pores and voids with spherical cross-section.If the time is increasing,and electrolyte inside of the pores is heating-up,etching of the Mg substrate and oxide film becomes more dominant and horizontal pores in the interface between coating and metal are formed.In the pores new anodic layer will form and at this time the formation of the third inner layer starts.The growth of the inner layer happens via the anodic film as a result of micro discharge ignition in the horizontal pores,accompanied by formation of plasma in numerous micro-voids of this layer.The coatings formed on AZ91 alloy are denser,than those on AZ31,which is related to the difference in the rates of inner layer growth and dissolving of oxides which are located at the bottom of the horizontal pores.Because of the lower Al content,the AZ31 substrate itself and the also the oxide films are less stable and tend to dissolve at a higher rate compared to AZ91.Thus,it was demonstrated that a good corrosion resistance of the coatings was only obtained on AZ91 and if the average thickness of the coating is around 50μm,correlating with the formation of a sufficiently dense inner laye-Knowing this mechanism,a new two-step treatment was suggested,combining the standard PEO treatment with a subsequent PEO process in an electrolyte supporting the inner film formation.The concept was successfully applied and a further improved corrosion resistance was obtained compared to the single stage PEO process.This improvement of corrosion resistance was related to the better sealing of porosity and formation of a denser inner layer.

Hierarchical Nanogold Labels to Improve the Sensitivity of Lateral Flow Immunoassay

Lateral flow immunoassay(LFIA) is a widely used express method and offers advantages such as a short analysis time, simplicity of testing and result evaluation.However, an LFIA based on gold nanospheres lacks the desired sensitivity, thereby limiting its wide applications.In this study, spherical nanogold labels along with new types of nanogold labels such as gold nanopopcorns and nanostars were prepared, characterized, and applied for LFIA of model protein antigen procalcitonin. It was found that the label with a structure close to spherical provided more uniform distribution of specific antibodies on its surface, indicative of its suitability for this type of analysis.LFIA using gold nanopopcorns as a label allowed procalcitonin detection over a linear range of 0.5–10 ng mL^(-1) with the limit of detection of 0.1 ng mL^(-1), which was fivefold higher than the sensitivity of the assay with gold nanospheres. Another approach to improve the sensitivity of the assay included the silver enhancement method,which was used to compare the amplification of LFIA for procalcitonin detection. The sensitivity of procalcitonin determination by this method was 10 times better the sensitivity of the conventional LFIA with gold nanosphere as a label. The proposed approach of LFIA based on gold nanopopcorns improved the detection sensitivity without additional steps and prevented the increased consumption of specific reagents(antibodies).

Charge disproportionation and site-selective local magnetic moments in the post-perovskite-type Fe_(2)O_(3) under ultra-high pressures

The archetypal 3d Mott insulator hematite,Fe_(2)O_(3),is one of the basic oxide components playing an important role in mineralogy of Earth’s lower mantle.Its high pressure-temperature behavior,such as the electronic properties,equation of state,and phase stability is of fundamental importance for understanding the properties and evolution of the Earth’s interior.Here,we study the electronic structure,magnetic state,and lattice stability of Fe_(2)O_(3)at ultra-high pressures using the density functional plus dynamical mean-field theory(DFT+DMFT)approach.In the vicinity of a Mott transition,Fe_(2)O_(3) is found to exhibit a series of complex electronic,magnetic,and structural transformations.In particular,it makes a phase transition to a metal with a post-perovskite crystal structure and site-selective local moments upon compression above 75 GPa.We show that the site-selective phase transition is accompanied by a charge disproportionation of Fe ions,with Fe^(3±δ)and δ~0.05–0.09,implying a complex interplay between electronic correlations and the lattice.Our results suggest that site-selective local moments in Fe_(2)O_(3) persist up to ultra-high pressures of~200–250 GPa,i.e.,sufficiently above the core-mantle boundary.The latter can have important consequences for understanding of the velocity and density anomalies in the Earth’s lower mantle.

First principles calculation of spin-related quantities for point defect qubit research

Point defect research in semiconductors has gained remarkable new momentum due to the identification of special point defects that can implement qubits and single photon emitters with unique characteristics.Indeed,these implementations are among the few alternatives for quantum technologies that may operate even at room temperature,and therefore discoveries and characterization of novel point defects may highly facilitate future solid state quantum technologies.First principles calculations play an important role in point defect research,since they provide a direct,extended insight into the formation of the defect states.In the last decades,considerable efforts have been made to calculate spin-dependent properties of point defects from first principles.The developed methods have already demonstrated their essential role in quantitative understanding of the physics and application of point defect qubits.Here,we review and discuss accuracy aspects of these novel ab initio methods and report on their most relevant applications for existing point defect qubits in semiconductors.We pay attention to the advantages and limitations of the methodological solutions and highlight additional developments that are expected in the near future.Moreover,we discuss the opportunity of a systematic search for potential point defect qubits,as well as the possible development of predictive spin dynamic simulations facilitated by ab initio calculations of spin-dependent quantities.

Predicting elastic properties of hard-coating alloys using ab-initio and machine learning methods

Accelerated design of hard-coating materials requires state-of-the-art computational tools,which include data-driven techniques,building databases,and training machine learning models.We develop a heavily automated high-throughput workflow to build a database of industrially relevant hard-coating materials,such as binary and ternary nitrides.We use the high-throughput toolkit to automate the density functional theory calculation workflow.We present results,including elastic constants that are a key parameter determining mechanical properties of hard-coatings,for X_(1−x)Y_(x)N ternary nitrides,where X,Y∈{Al,Ti,Zr,Hf}and fraction x=0,1/4,1/2,3/4,1.We also explore ways for machine learning to support and complement the designed databases.We find that the crystal graph convolutional neural network trained on ordered lattices has sufficient accuracy for the disordered nitrides,suggesting that existing databases provide important data for predicting mechanical properties of qualitatively different types of materials,in our case disordered hard-coating alloys.

Bimeron clusters in chiral antiferromagnets

A magnetic bimeron is an in-plane topological counterpart of a magnetic skyrmion.Despite the topological equivalence,their statics and dynamics could be distinct,making them attractive from the perspectives of both physics and spintronic applications.In this work,we demonstrate the stabilization of bimeron solitons and clusters in the antiferromagnetic(AFM)thin film with interfacial Dzyaloshinskii–Moriya interaction(DMI).Bimerons demonstrate high current-driven mobility as generic AFM solitons,while featuring anisotropic and relativistic dynamics excited by currents with in-plane and out-ofplane polarizations,respectively.Moreover,these spin textures can absorb other bimeron solitons or clusters along the translational direction to acquire a wide range of Néel topological numbers.The clustering involves the rearrangement of topological structures,and gives rise to remarkable changes in static and dynamical properties.The merits of AFM bimeron clusters reveal a potential path to unify multibit data creation,transmission,storage,and even topology-based computation within the same material system,and may stimulate spintronic devices enabling innovative paradigms of data manipulations.

■^(−)_(b)→J/ψΛK^(−)衰变中一个J/ψΛ结构的迹象与■^(−)激发态的发现

夸克和胶子组成的粒子统称强子,其中包含4个或以上组分夸克的强子被称为奇异强子.目前实验上发现的奇异强子最多包含5个夸克,称为五夸克态.对五夸克态的深入研究可以检验对强相互作用的理解.利用质心能量为7、8和13 TeV,总积分亮度9 fb^(−1)的质子-质子对撞数据,大型强子对撞机底夸克实验(LHCb)采用全谱分析的方法,研究了■^(−)_(b)→J/ψΛK^(−)衰变过程中的共振态结构.实验发现J/ψΛ系统中存在质量约为4.46 MeV/c^(2)的共振结构存在的迹象,其显著程度为3.1倍标准偏差,性质与五夸克态相符.这是实验上首次观测到包含奇异夸克的五夸克态的存在证据,为五夸克态的理论研究和后续的实验探索提供了重要的依据.除此之外,实验还精细测量了ΛK−系统中部分共振态的共振参数,精度远高于当前世界平均值,这对加深传统重子谱学的认识有着重要的意义.