Theoretical derivation of the crystallographic parameters of polytypes of long-period stacking ordered structures with the period of 13 and 14 in hexagonal close-packed system

Based on crystallographic theory, there are 63 kinds of polytypes of 13H long-period stacking order （LPSO） structure, 126 kinds of polytypes of 14H LPSO structure, 120 kinds of polytypes of 39R LPSO structure, and 223 kinds of polytypes of 42R LPSO structure in a hexagonal close-packed （HCP） system, and their stacking sequences and space groups have been derived in detail. The result provides a theoretical explanation for the various polytypes of the LPSO structure.

预制体结构对SiC_(f)/SiC复合材料力学和热性能的影响

本文采用化学气相渗透法制备了具有二维多层、三维角联锁机织和多轴三维编织三种预制体结构的SiC_(f)/SiC复合材料。在综合分析纤维排列、SiC基体和孔隙分布的基础上,详细讨论了预制体结构对SiC_(f)/SiC复合材料力学性能和热性能的影响。结果表明,复合材料的力学性能和热导率受纤维排列方式和复合材料密度的综合影响,而热膨胀系数主要受纤维排列方式的影响。此外,二维多层复合材料、三维角联锁机织复合材料和多轴三维编织复合材料的热导率可以分别用串联模型和平行模型来解释。多轴三维编织复合材料由于内部具有连续的可以作为热流快速通道的三维网状SiC基体层,因此具有较高的室温热导率。而随着温度的升高,SiC声子间的散射逐渐增强,SiC基体层在多轴三维编织复合材料中作为声子传播快速通道的作用逐渐减弱,热导率随温度降低的趋势更明显。

A general thermodynamic model for the long-period stacking ordered phases in magnesium alloys

A thermodynamic model Mg x(Xs,Mg)6(Xl,Mg)8(Xs and Xl are elements smaller and larger than Mg)for long-period stacking ordered phases(LPSOs)was proposed based on two key factors:the Xs 6 Xl 8-type L12 clusters and the variation of chemical compositions.In general,all available LPSOs can be described with this model.As a representative system,Mg-Y-Zn with three LPSOs was investigated using the CALPHAD(calculation of phase diagram)approach aided with first-principles calculations.Two new three-phase equilibria were predicted and were validated by key experiments.The model-based descriptions will be the basis for the research and development of magnesium alloys.

A Comparative Study on the Microstructure and Properties of ITO Targets and Thin Films Prepared from Two Different Powders

With the rapid development of indium tin oxide(ITO)in the electronic display industry,choosing which raw powders to prepare high-quality ITO targets has always been a controversial topic.In the work,in order to clearly understand the effect of the raw powders on the microstructure and properties of ITO targets and thin films,tin-doped indium oxide(dITO)and In_(2)O_3-SnO_(2)mixed(mITO)powders were chosen to prepare ITO targets for depositing the films and a comparative study on their microstructure and properties was conducted.It is found that,(1)dITO targets possess a higher solid solubility of tin in indium oxide and more uniform elemental distribution,while there are a higher density,a finer grain size and a higher mass ratio of In_(2)O_3 to SnO_(2)for the mITO targets;(2)dITO films with more coarser columnar grains and a rougher surface prefer to grow along the[100]direction in an Ar atmosphere;(3)the conductive property of ITO films only depends on the doping amount of tin and is independent of the raw powders and the preparation process of the target source;(4)dITO films possess the superior optical property and narrower optical band gap;(5)the etching property of mITO films is superior to that of dITO films due to the lower solid solubility of tin in indium oxide.

N-doped defective carbon with trace Co for efficient rechargeable liquid electrolyte-/all-solid-state Zn-air batteries

Simple synthesis of multifunctional electrocatalysts with plentiful active sites from earth-abundant materials is especially fascinating. Here, N-doped defective carbon with trace Co(1.5 wt%) was prepared via a scalable one pot solid pyrolysis process. The sample exhibits efficient bifunctional OER/ORR activity in alkaline, mainly ascribed to the unique micro-mesoporous structure(1–3 nm), high population of graphitic-N doping(up to 49.0%), abundant defects and the encapsulated Co nanoparticles with graphitized carbon. The according rechargeable liquid Zn-air batteries showed excellent performance(maximum power density of 154.0 mW cm^(-2); energy density of 773 Wh kg^(-1) at 5 mA cm^(-2) and charging-discharging cycling stability over 100 cycles). As a proof-of-concept, the flexible, rechargeable all-solid-state Zn-air batteries were constructed, and displayed a maximum power density as high as 45.9 mW cm^(-2), among the top level of those reported previously.

Atomistic insight into ordered defect superstructures at novel grain boundaries in CuO nanosheets: From structures to electronic properties

Determining atomistic structures of grain boundaries (GBs) is essential to understand structure--property interplay in oxides.Here,different GB superstructures in CuO nanosheets,including (111) and (114) twinning boundaries (TBs) and (002)/(223) GB,are investigated.Unlike the lower-energy stoichiometric (111) TB,both experimental and first-principles investigations reveal a severe segregation of Cu and O vacancies and a nonstoichiometric property at (114) TB,which may facilitate ionic transportation and provide space for elemental segregation.More importantly,the calculated electronic structures have shown the increased conductivity as well as the unanticipated magnetism in both (114) TB and (002)/(223) GB.These findings could contribute to the race towards the property-directing structural design by GB engineering.

Microstructure and mechanical properties of two-stage aged Al-Cu-Mg-Ag-Sm alloy

High-strength Al-Cu-Mg-Ag-Sm alloy was fabricated and subjected to single-stage aging and pre-aging(two-stage aging). Effect of pre-aging on micros tructure and mechanical properties of the alloy was investigated. It is found that the alloy is mainly composed of α-Al, Al_2Cu, Al_2CuMg and AlCu_4Sm. The number of plate-like Ω Al_2Cu precipitates is comparable to that of rod-like S Al_2 CuMg precipitates in the single-stage aged alloy, whereas, in the two-stage aged alloy, it is much higher than that of S precipitates. Q precipitates have a smaller plate thickness and distribute more uniformly in the two-stage aged alloy than in the single-stage aged alloy.Ultimate tensile strength(UTS) and yield strength of the two-stage aged alloy are 12% higher than those of the single-stage aged one, indicating a better aging hardening caused by the two-stage aging. The increased tensile properties mainly come from both stronger precipitation strengthening caused by more Ω precipitates in the twostage aged alloy and stronger solution strengthening from Mg atoms. The fracture surfaces consist of both dimple zones composed of microscale dimples and platform zones composed of nanoscale dimples. The total area of dimple zones for single-stage aged alloy is much higher than that for two-stage aged alloy, which can be attributed to different numbers of Ω precipitates in the two alloys.

Nitrogen-doped Carbon Coated Na3V2(PO4)3 with Superior Sodium Storage Capability

Cathodes with high cycling stability and rate capability are required for ambient temperature sodium ion batteries in renewable energy storage application.Na3V2(PO4)3 is an attractive cathode material with excellent electrochemical stability and fast ion diffusion coefficient within the 3D NASICON structure.Nevertheless,the practical application of Na3V2(PO4)3 is seriously hindered by its intrinsically poor electronic conductivity.Herein,solvent evaporation method is presented to obtain the nitrogen-doped carbon coated Na3V2(PO4)3 cathode material,delivering cnhanced clectrochemical performances.N-Doped carbon layer coating servfes as a highly conducting pathway,and creates numerous extrinsic defects and active sites,which can facilitate the storage and diffusion of Na^+.Morcover,the N-doped carbon layer can provide a stable framework to accommodate the agglomeration of the electrode upon electrode cycling.N-Doped carbon coated Na3V2(PO4)3(NC-NVP)exhibits excellent long cycling life and superior rate performances than bare Na3V2(PO4)3 without carbon coating.NC-NVP delivers a stable capacity of 95.9mA·h/g after 500 cycles at 1C rate,which corresponds to high capacity retention(94.6%)with respect to the initial capacity(101.4mA·h/g).Over 91.3% of the initial capacity is retained after 500 cycles at 5C,and the capacity can reach 85mA·h/g at 30C rate.

阳极氧化AlCoCrFeNi高熵合金用于高效碱性电解水

碱性水电解(AWE)作为一种具有工业应用前景的绿色制氢方法,能够用来改善能源短缺和环境污染问题.然而,由于电极材料昂贵且效率低下,这种方法生产氢气的效率比较低.本文采用块状AlCoCrFeNi高熵合金作为碱性电解水的有效电极.研究发现通过快速阳极氧化(5 min)处理的高熵合金可以同时对析氢和析氧反应(HER和OER)具有超高的催化活性,只需要880和845 m V的过电位就可以达到-500 mA cm-2(HER)和500 mA cm-2(OER)的电流密度.特别地,该催化剂只需要3.00 V就可以达到500 mA cm-2的全解水电流密度,并且在此电流密度下表现出超过100小时的出色稳定性.我们的研究表明,阳极氧化的块体AlCoCrFeNi高熵合金作为高效催化剂在工业水电解制氢中具有广阔的应用前景,有望用于缓解环境问题和能源危机.