Surface energies of hcp metals using equivalent crystal theory

The equivalent crystal theory method of Smith et al. [Phys. Rev. B 44 (1991) 6444] originally formulated for fcc and bcc metals, and semiconductors, is here extended to hcp metals and applied to calculate surface energies. The (0 0 1) surface energies obtained for 22 hcp metals are in good agreement with the results of both experiment and ab initio calculations.     

Ordered Structures with Functional Units as a Paradigm of Material Design

Realizing new functions through the construction of ordered structures not only exists naturally in nature, but also in artificial materials. However, much research focuses more on the relationship between structure and performance rather than on the impact of functional units themselves. Reviewing previous research findings, a “paradigm” of material research is proposed, which is based on ordered structures with functional units (OSFU) such as compositions, phases, domains, and twins. The goal is to draw more intensive attention of researchers to this concept and thus to promote the development of this field toward a deeper and broader direction, producing highly influential research results.     

Stress field of a disclination dipole in hcp bicrystal with imperfect interface

In this paper, exact stress field solutions are derived for an interfacial disclination dipole in an hcp bicrystal with an imperfect interface described by the traction discontinuity, displacement discontinuity and slipping models. The solutions show that the stress variation is not necessarily monotonic with worsening imperfection and can exceed 100% of the stresses in bicrystals with perfect interfaces. A strong bias exists between the influence of the normal and shear traction jump parameters, and between the influence of the normal and tangential displacement jump parameters, on the interfacial stresses. The traction and displacement discontinuity models also predict very different dependence of the interfacial stresses on the jump parameters. These results suggest that imperfect interfaces may significantly raise the internal stresses and thus drastically alter the damage mechanisms (nucleation and propagation of dislocations/cracks, fatigue, etc.) as well as the mechanical properties (effective properties, failure modes, strength, etc.) of polycrystalline materials.     

几类序半群在序理想方面的刻划

利用各种类型的序理想刻划了π－正则序半群，完全π－正则序半群和拟完全π－正则序半群。本文的结果推广和扩充了Kehayopulu N和Lee sK分别在1997年和1998年给出的对正则序半群，完全正则序半群和拟完全正则序半群的一些在序理想理论方面的刻划。     

电弧熔炼WFeB三元合金的微观组织与压缩性能研究

为研发W合金新体系及其相应的制备技术,采用真空非自耗电弧熔炼方法制备了W37.5Fe56.9B11.6和W18.4Fe67.7B13.9两种合金,利用光学显微镜、X射线衍射、扫描电镜和能谱仪分析了合金内部的相组成、组织形态及元素含量,并对合金的密度及压缩性能进行了测试和分析.研究表明:真空电弧熔炼W37.5Fe56.9B11.6和W18.4Fe67.7B13.9合金的密度分别为13.3和10.7 g/cm3;两种合金组织中分布着大量脆性相;W37.5Fe56.9B11.6合金的压缩屈服强度和最大压缩强度分别为2 240和2 321 MPa,而W18.4Fe67.7B13.9合金的压缩屈服强度和最大压缩强度分别为2 400和2 457 MPa;压缩后两种合金断口呈脆性断裂,断口局部有熔化现象.     

Interdiffusion in ternary Fe–Cr –Al alloys with variable molar volume

Abstract

For interdiffusion profiles obtained at 1000ºC in the Fe-rich corner of the ternary system Fe –Cr – Al the evaluation of these profiles with the method proposed by Dayananda and Sohn in 1999 has been performed. Further, an alternative mathematical model is presented which directly yields element mobilities and Kirkendall velocities from experiments if the Gibbs free energy of the system is given as a function of composition, temperature and pressure. Computer simulations show that, interestingly enough, already fairly weak deviations from (thermodynamic) ideality will lead to pronounced up-hill diffusion effects for the majority component, i.e. Fe.     

Thermally induced structural and mechanical variations in ternary Al–Si based alloys

The effect of heat treatment on the variations in the structural and mechanical characteristics of Al–Si based ternary alloys was studied for samples prepared from elements of purity 99.99% and aged at 673 K for 2 h through tensile tests in the temperature range (413–493 K). Softening behaviour was observed with increasing the working temperature. The mechanical results were discussed in relation to the structure analysis of TEM micrographs obtained at room temperature for samples aged at 673 K. Sn addition improved the mechanical properties of the samples but this was not achieved with Ag addition which improved softening and ductility under the same testing conditions.     

旋转磁场对Pb-Sn-Sb合金组织及性能的影响

为了改善Pb-Sn-Sb三元轴承合金液态成型过程中的比重偏析,用旋转磁场控制Pb-Sn-Sb合金液态成型过程.采用光学显微镜、扫描电镜能谱分析研究了旋转磁场对Pb-Sn-Sb合金显微组织及成分分布的影响.用布氏硬度计、摩擦磨损试验机测试Pb-Sn-Sb合金的硬度及摩擦磨损性能.实验结果表明:旋转磁场能有效改善Pb-Sn-Sb合金的比重偏析,且能细化晶粒.激磁电压为45V时,SbSn块状化合物在试样上下截面分布最均匀,块度变小,比重偏析改善效果最好;试样上下截面Pb、Sn、Sb三元素含量基本趋于一致.随着激磁电压增加,试样上下截面的硬度及耐磨性有一定程度提高,并明显趋于一致.     

Corrosion Behaviors of Long‐Period Stacking Ordered Structure in Mg Alloys Used in Biomaterials: A Review

The long‐period stacking ordered (LPSO) phases have distinctive microstructures and significant effect on the promotion of mechanical properties of Mg alloys, which have received considerable attention not only as industrial materials but also as biodegradable implant materials recently. By now, numerous researchers devote to study the effects of the microstructures of LPSO phases on the mechanical properties of Mg alloys. But a few of them reveal the relationship between LPSO phases and corrosion behaviors of Mg alloys. Therefore, the knowledge of characteristics of LPSO phases and their effects on biocorrosion behaviors is essential. In this review, the current understanding about the structure, growth, transformation, and deformation of LPSO phases in Mg alloys are summarized. The recent developments of biocorrosion behaviors of Mg alloys are reviewed. The information on the immersion and corrosion mechanisms of Mg alloys are provided. The role of LPSO structures on corrosion behaviors of Mg alloys is intensively analyzed. Based on the current understandings, some problems are pointed out and suggestions for further research of Mg alloys with LPSO structures using as biomedical materials are provided.

     

Modelling of low-energy/low-velocity impact on Nomex honeycomb sandwich structures with metallic skins

In the aircraft industry, manufacturers have to decide quickly whether an impacted sandwich needs repairing or not. Certain computation tools exist at present but they are very time-consuming and they also fail to perfectly model the physical phenomena involved in an impact. In a previous publication, the authors demonstrated the possibility of representing the Nomex™ honeycomb core by a grid of nonlinear springs and have pointed out both the structural behaviour of the honeycomb and the influence of core-skin boundary conditions. This discrete approach accurately predicts the static indentation on honeycomb core alone and the indentation on sandwich structure with metal skins supported on rigid flat support. In this study, the domain of validity of this approach is investigated. It is found that the approach is not valid for sharp projectiles on thin skins. In any case, the spring elements used to model the honeycomb cannot take into account the transverse shear that occurs in the core during the bending of a sandwich. To overcome this strong limitation, a multi-level approach is proposed in the present article. In this approach, the sandwich structure is modelled by Mindlin plate elements and the computed static contact law is implemented in a nonlinear spring located between the impactor and the structure. Thus, it is possible to predict the dynamic structural response in the case of low-velocity/low-energy impact on metal-skinned sandwich structures. A good correlation with dynamic experimental tests is achieved.     

定向介孔薄膜制备的研究进展

定向介孔薄膜是指内部孔道沿着同一方向定向排列的介孔薄膜. 本文就定向介孔薄膜的制备方法特别是近几年内的进展进行了回顾和评述, 按形成介孔薄膜的机理总结出三类制备介孔薄膜的方法, 并且分析了薄膜制备过程中的影响因素, 从薄膜定向性的角度对制备介孔薄膜的研究进行了分析与展望, 提出了今后制备定向介孔薄膜的发展方向和研究热点.     

Crystallization and precipitation structures of quasicrystalline phase in rapidly solidified Al-Mn-X ternary alloys

Tranmission electron microscopic observations were carried out to reveal the solidification and precipitation structures of rapidly solidified Al-Mn-X alloys (X=Si or Zr), with particular focus on the formation of the icosahedral quasicrystals. On increasing the manganese content, the distribution of the icosahedral quasicrystals in the rapidly solidified alloys changed from the type of cell-boundary segregation to that of one component in the eutectic and the primarily dendritic phase. The precipitation of the icosahedral quasicrystals from the supersaturated solid solutions of the present alloys was restricted in the surface layers and/or largeangle grain boundaries. The orientation relationships between the icosahedral quasicrystals and the aluminium matrix were such that three mutually perpendicular two-fold axes of the icosahedron lie along the [100], , and [011] axes of the fcc crystallographic directions. The 15-fold symmetry diffraction pattern frequently obtained from (111) and/or (233) matrix planes could be explained by considering axial rotation between the five-fold and three-fold symmetry axes of the icosahedron and cubic lattices. It was suggested that the hierarchy of the free energies of the icosahedral phase and the other crystalline phases was very close.     

Inlaying Ultrathin Bimetallic MOF Nanosheets into 3D Ordered Macroporous Hydroxide for Superior Electrocatalytic Oxygen Evolution

Controllable synthesis of ultrathin metal–organic framework (MOF) nanosheets and rational design of their nano/microstructures in favor of electrochemical catalysis is critical for their renewable energy applications. Herein, an in situ growth method is proposed to prepare the ultrathin NiFe MOF nanosheets with a thickness of 1.5 nm, which are vertically inlaid into a 3D ordered macroporous structure of NiFe hydroxide. The well‐designed composite delivers an efficient electrocatalytic performance with a low overpotential of 270 mV at a current density of 10 mA cm^?2 and stable electrolysis as long as 10 h toward the electrochemical oxygen evolution reaction, much superior to the state‐of‐the‐art RuO₂ electrocatalyst. A comprehensive analysis demonstrates that the excellent performance originates from the desirable combination of the highly exposed active centers in the ultrathin bimetallic MOF nanosheets, effective electron conduction between MOF nanosheets and ordered macroporous hydroxide, and efficient mass transfer across the hierarchically porous hybridization. This study sheds light on the exploration of powerful protocols to gain diverse high‐performance MOF nanosheets and may open a perspective to achieve their efficient electrocatalytic performance.     

Calculation of phase diagrams of binary fcc and ideal hcp alloys undergoing ordering transitions

The tetrahedron approximation of the cluster variation method (CVM) has been employed to investigate phase diagrams having fcc-based ordered and disordered phases. This approximation is also applicable to the binary hcp ordered structures with ideal axial ratio. The CVM developed by Kikuchi consists of calculating approximate expressions for the number of configurations and hence entropy of a crystal lattice having definite distribution of clusters (points, pairs, triangles, tetrahedra, etc.) of lattice points which in general may be occupied by one of a given set of atomic species. Tetrahedral multi-atom interactions denoted by α and β are utilized for expressing the configurational energy. The equilibrium cluster distribution is then found by minimizing the free energy by utilizing the natural iteration method developed by Kikuchi. The effect of α and β parameters on the topology of the resulting phase diagrams is observed by assigning several negative and positive values to them. The invariant reactions were also determined in each case. Finally a study was made on the Cd-Mg diagram.     

De nouveaux isotypes lacunaires de CeNiSi2: Les germaniures RCoxGe2, R = Y,La-Sm,Gd-Lu, 0 < x ≦ 1New germanides with CeNiSi2-type structures and cobalt deficiency: RCoxGe2, R = Y,La-Sm,Gd-Lu, 0 < x ≦ 1

The new germanides RCo_xGe₂, R = Y, La-Sm, Gd-Lu, crystallize in the orthorhombic CeNiSi₂-type structure with cobalt vacancies. Their cobalt deficiency regularly increases through the series according to the lanthanide contraction: x vary from 1 to 0.34 between R = La and Lu. The structure of NdCo_0.83Ge₂ was refined from single-crystal data to a conventional R value of 0.034 for 210 independent reflections (R_w = 0.033). The La, Y and Lu compounds show Pauli paramagnetism and are not superconducting above 1.5 K.     

有序介孔二氧化钛粉体研究进展

主要综述了高度有序六方相和立方相孔道结构介孔二氧化钛以及具有低有序蠕虫状孔道结构介孔二氧化钛的制备方法及其结构特征。总结了后处理法、模板剂脱除法在制备稳定、具有有序介孔和锐钛矿相孔壁的介孔二氧化钛粉体中的应用,指出采用直接合成法制备孔壁结晶的介孔二氧化钛原粉,之后用萃取法脱除模板剂并用钛酸异丙酯蒸气增强骨架,将是得到高稳定性有序介孔二氧化钛材料的良好途径。     

过渡金属体系有序介孔材料研究进展

过渡金属体系有序介孔材料在催化、光、电、磁等领域有着硅基介孔材料无法比拟的优越特性.详细地介绍了过渡金属体系有序介孔材料的合成和机理,简要地介绍了其应用.     

The State of Research Regarding Ordered Mesoporous Materials in Batteries

Ordered mesoporous materials, porous materials with a pore size of 2–50 nm which are prepared via the sol–gel process using surfactant molecular aggregates as a template to assemble channels through the interfacial action of organic and inorganic substances, have recently triggered a heated debate. In addition to applications in the catalytic cracking of heavy oils and residues, the manufacturing of graft materials, the purification of water, the conversion of automobile exhaust, biochips, and the treatment of environmental pollutants via photocatalysts, ordered mesoporous materials have drawn substantial attention in the field of electrochemical energy storage due to advantages such as large specific surface area, uniform and continuously adjustable pore size, and orderly arrangement. Here, a general summary and appraisal of the study of ordered mesoporous materials for batteries in recent years is given, including the synthesis methods, meso/nanostructural features, and electrochemical capabilities of such materials.     

Large‐Scale,Long‐Range‐Ordered Patterning of Nanocrystals via Capillary‐Bridge Manipulation

Deterministic assembly of nanoparticles with programmable patterns is a core opportunity for property‐by‐design fabrication and large‐scale integration of functional materials and devices. The wet‐chemical‐synthesized colloidal nanocrystals are compatible with solution assembly techniques, thus possessing advantages of high efficiency, low cost, and large scale. However, conventional solution process suffers from tradeoffs between spatial precision and long‐range order of nanocrystal assembly arising from the uncontrollable dewetting dynamics and fluid flow. Here, a capillary‐bridge manipulation method is demonstrated for directing the dewetting of nanocrystal inks and deterministically patterning long‐range‐ordered superlattice structures. This is achieved by employing micropillars with programmable size, arrangement, and shape, which permits deterministic manipulation of geometry, position, and dewetting dynamics of capillary bridges. Various superlattice structures, including one‐dimensional (1D), circle, square, pentagon, hexagon, pentagram, cross arrays, are fabricated. Compared to the glassy thin films, long‐range‐ordered superlattice arrays exhibit improved ferroelectric polarization. Coassembly of nanocrystal superlattice and organic functional molecule is further demonstrated. Through introducing azobenzene into superlattice arrays, a switchable ferroelectric polarization is realized, which is triggered by order–disorder transition of nanocrystal stacking in reversible isomerization process of azobenzene. This method offers a platform for patterning nanocrystal superlattices and fabricating microdevices with functionalities for multiferroics, electronics, and photonics.