Phase field simulation of the columnar dendritic growth and microsegregation in a binary alloy

This paper applies a phase field model for polycrystalline solidification in binary alloys to simulate the formation and growth of the columnar dendritic array under the isothermal and constant cooling conditions. The solidification process and microsegregation in the mushy zone are analysed in detail. It is shown that under the isothermal condition solidification will stop after the formation of the mushy zone, but dendritic coarsening will progress continuously, which results in the decrease of the total interface area. Under the constant cooling condition the mushy zone will solidify and coarsen simultaneously. For the constant cooling solidification, microsegregation predicted by a modified Brody- Flemings model is compared with the simulation results. It is found that the Fourier number which characterizes microsegregation is different for regions with different microstructures. Dendritic coarsening and the larger area of interface should account for the enhanced Fourier number in the region with well developed second dendritic arms.     

Cycloid motions of grains in a dust plasma

Hypocycloid and epicycloid motions of irregular grains(pine pollen) are observed for the first time in a dust plasma in a two-dimensional(2D) horizontal plane. These cycloid motions can be regarded as a combination of a primary circle and a secondary circle. An inverse Magnus force originating from the spin of the irregular grain gives rise to the primary circle.Radial confinement resulting from the electrostatic force and the ion drag force, together with inverse Magnus force, plays an important role in the formation of the secondary circle. In addition, the cyclotron radius is seen to change periodically during the cycloid motion. Force analysis and comparison experiments have shown that the cycloid motions are distinctive features of an irregular grain immersed in a plasma.     

Bi，Sb及稀土元素对AZ91镁合金高温性能影响机理研究

利用大角重位点阵概念建立了AZ91镁合金基体(α相)和镁［0001］对称倾斜晶界原子结构模型,应用实空间的连分数方法计算了体系的结构能,环境敏感镶嵌能以及相互作用能.结果发现,在镁合金基体中,Al和稀土形成团簇时比较稳定,Al,Bi或Sb与稀土形成团簇时不稳定.Bi或Sb和稀土元素同时存在于AZ91镁合金中时,一方面Bi或Sb将可与RE结合形成RE₂Bi(RE₂Sb)或RE-Bi(RE-Sb)化合物弥散分布于晶界,另一方面镁合金基体中会形成Al_{11关键词： 电子理论 晶界偏聚 合金元素 高温性能}     

Correlation of Grain Boundary Character with Wetting Behavior

Wetting of 975 grain boundaries (GB's) by liquid Cu in an iron-based alloy has been studied as a function of the five macroscopic degrees of freedom (DoF's) of grain boundary character. In addition, models of GB energy in terms of all five DoF's, and of anisotropic solid-liquid interfacial energy have been developed. The experimentally observed wetting behavior is interpreted in terms of the model, and it is shown that reasonable overall agreement is obtained between experimental results and model predictions.     

Synthesis and characterization of 2D transition metal dichalcogenides: Recent progress from a vacuum surface science perspective

Layered transition metal dichalcogenides (TMDs) are a diverse group of materials whose properties vary from semiconducting to metallic with a variety of many body phenomena, ranging from charge density wave (CDW), superconductivity, to Mott-insulators. Recent interest in topologically protected states revealed also that some TMDs host bulk Dirac- or Wyle-semimetallic states and their corresponding surface states. In this review, we focus on the synthesis of TMDs by vacuum processes, such as molecular beam epitaxy (MBE). After an introduction of these preparation methods and categorize the basic electronic properties of TMDs, we address the characterization of vacuum synthesized materials in their ultrathin limit-mainly as a single monolayer material. Scanning tunneling microscopy and angle resolved photoemission spectroscopy has revealed detailed information on how monolayers differ in their properties from multi-layer and bulk materials. The status of monolayer properties is given for the TMDs, where data are available. Distinct modifications of monolayer properties compared to their bulk counterparts are highlighted. This includes the well-known transition from indirect to direct band gap in semiconducting group VI-B TMDs as the material-thickness is reduced to a single molecular layer. In addition, we discuss the new or modified CDW states in monolayer VSe₂ and TiTe₂, a Mott-insulating state in monolayer 1T-TaSe₂, and the monolayer specific 2D topological insulator 1T′-WTe₂, which gives rise to a quantum spin Hall insulator. New structural phases, that do not exist in the bulk, may be synthesized in the monolayer by MBE. These phases have special properties, including the Mott insulator 1T-NbSe₂, the 2D topological insulators of 1T′-MoTe₂, and the CDW material 1T-VTe₂. After discussing the pure TMDs, we report the properties of nanostructured or modified TMDs. Edges and mirror twin grain boundaries (MTBs) in 2D materials are 1D structures. In group VI-B semiconductors, these 1D structures may be metallic and their properties obey Tomonaga Luttinger quantum liquid behavior. Formation of Mo-rich MTBs in Mo-dichalcogenides and self-intercalation in between TMD-layers are discussed as potential compositional variants that may occur during MBE synthesis of TMDs or may be induced intentionally during post-growth modifications. In addition to compositional modifications, phase switching and control, in particular between the 1H and 1T (or 1T′) phases, is a recurring theme in TMDs. Methods of phase control by tuning growth conditions or by post-growth modifications, e.g. by electron doping, are discussed. The properties of heterostructures of TMD monolayers are also introduced, with a focus on lateral electronic modifications in the moiré-structures of group VI-B TMDs. The lateral potential induced in the moiré structures forms the basis of the currently debated moiré-excitons. Finally, we review a few cases of molecular adsorption on nanostructured monolayer TMDs. This review is intended to present a comprehensive overview of vacuum studies of fundamental materials' properties of TMDs and should complement the investigations on TMDs prepared by exfoliation or chemical vapor deposition and their applications.     

Dependence of stresses on grain orientations in BCC polycrystalline films on substrates

Most thin films have different thermal expansion coefficients from their substrates, thus thermal stresses will be introduced into the films when the temperature is changed during annealing and service. Calculations of these stresses for grains in various crystallographic orientations have been made for seven BCC transition metals Cr, Fe, Mo, Nb, Ta, V and W. Neglecting W, which is isotropic and the stresses are equiaxial and without grain orientation （hkl） dependence, the BCC metals may be grouped into two classes. In the first class （Cr, Mo, Nb and V）, the （100）-oriented grains have the largest stresses, while the stresses σ1 and σ2 in other （hkl）-oriented grains decrease linearly with the increase of the angle between （hkl） and （100）, and with σ1 〈 σ2 except in （100）- and （lll）-oriented grains. In the second class （Fe and Ta）, on the contrary, the （100）-oriented grains have the lowest stresses, and the stresses σ1 and σ2 in other （hkl）-oriented grains increase linearly with the increase of the angle between （hkl） and （100）, and with σ1 〉 σ2 except in （100）- and （111）-oriented grains.     

三相快速流化床中固体颗粒循环流量的研究

采用快速循环流化床而使粒子、液体处于循环状态操作，粒子不会外溢堆积，可使床层在相对稳定状态下进行工作，从而克服普通三相流化床返混大，转化率低的缺点。     

利用Pr_(70)Cu_(30)晶界扩散改善烧结钕铁硼废料矫顽力的研究

钕铁硼磁体制备过程中出现的部分块体废料由于矫顽力较低,性能难以满足使用要求.本文主要通过晶界扩散技术来提高废料磁体的矫顽力.采用Pr_(70)Cu_(30)合金作为扩散介质,对烧结钕铁硼废料磁体进行了晶界扩散处理,研究了扩散温度、扩散时间和回火时间对扩散后的磁体性能的影响.结果显示,800℃下扩散3 h,磁体的矫顽力从原来的7.88 kOe(1 Oe=79.5775 A/m)提升至11.55 kOe,提升幅度为46.6%,同时剩磁没有明显降低.扩散后回火对矫顽力的提升有一定的作用.800℃下扩散4h后的磁体在500℃回火3h后,最高矫顽力可达11.97 kOe,比原磁体废料提高了51.9%,接近成品磁体的水平.显微组织分析证实了晶界扩散的作用.扩散处理后的磁体中,主相晶粒间形成了连续晶间相,起到有效的磁隔离作用,有利于矫顽力的提高.研究还发现,Pr_(70)Cu_(30)晶界扩散虽然可以使磁体腐蚀电位上升,但也会增加腐蚀电流密度,不利于磁体抗腐蚀性的改善.本文工作对于提高材料的成品率具有重要意义.     

华南沿海黄色粉土沉积的激光粒度分析及其成因讨论

在华南沿海地区的低矮丘陵及台地上,广泛发育一套黄色粉土堆积。对该区7个典型剖面进行系统的激光粒度分析,并与典型黄土以及研究区常见的海、河相沉积进行对比。结果表明,华南沿海各黄色粉土剖面均以10～50 μm的粗粉砂为众数粒组,<5 μm的粘粒为次众粒组,分别对应风成黄土的“基本粒组”和“挟持粒组”,岩性均属于粘土质粉砂。样品的粒度参数、粒度散点图、频率分布曲线、粒度指数特征均显示为典型的风成成因。粒度判别分析结果为负值,同样证实了黄色粉土的风成特性。华南沿海黄色粉土的各项粒度特征指标及其所反映的沉积类型、沉积环境均与我国典型黄土具有较好的可比性,而与研究区的海、河相沉积截然不同。