Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system

The total energies of Laves phases in the Cr–Nb and Zr–Cr systems have been calculated by the pseudo-potential VASP code with a full relaxation of all structural parameters. The special quasirandom structures (SQSs) have been constructed and their total energies have been calculated by the VASP code to predict the enthalpies of mixing for bcc and hcp solid solution phases. The phonon calculations for the C14 and C15 Laves phases have been performed to analyze the phase stability at elevated temperatures. The experimental study on the Zr–Cr system has been carried out at different temperatures to determine the phase boundaries. Based on these results, thermodynamic models of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr systems have been developed in this work by using the CALPHAD approach.     

Hydrothermal synthesis of 3D NixCo1−xS2 particles/graphene composite hydrogels for high performance supercapacitors

In this work, three dimensional (3D) Ni_xCo_1−xS₂/graphene composite hydrogels with different Ni contents (denoted as Ni_xCo_1−xS₂/GH (x = 0, 0.31, 0.56, 0.66, 1)) have been synthesized by a simple one-step hydrothermal method and utilized as the active materials of supercapacitors. The as-prepared samples present a 3D interconnected porous network with the pore sizes in the range of several to tens micrometers. Interestingly, the Ni_xCo_1−xS₂ particles are uniformly located on the graphene network and the particle size is evolved from ∼50 nm to ∼1.5 μm with the increase of Ni content. The electrochemical measurements revealed that the specific capacitance, rate capability and cyclability of different Ni_xCo_1−xS₂/GH electrodes are strongly affected by their different Ni content. Among these, the 3D Ni_0.31Co_0.69S₂/GH composite has the highest specific capacitance of 1166 F/g at a current density of 1 A/g. Furthermore, a specific capacitance of 559 F/g can be still maintained at high current density of 20 A/g. After 1000 charge–discharge cycles at 5 A/g, the specific capacitance remains a high value of 755 F/g.     

Alloying behavior and novel properties of CoCrFeNiMn high-entropy alloy fabricated by mechanical alloying and spark plasma sintering

An equiatomic CoCrFeNiMn high-entropy alloy was synthesized by mechanical alloying (MA) and spark plasma sintering (SPS). During MA, a solid solution with refined microstructure of 10 nm which consists of a FCC phase and a BCC phase was formed. After SPS consolidation, only one FCC phase can be detected in the HEA bulks. The as-sintered bulks exhibit high compressive strength of 1987 MPa. An interesting magnetic transition associated with the structure coarsening and phase transformation was observed during SPS process.     

Material design and development: From classical thermodynamics to CALPHAD and ICME approaches

This paper presents an overview and examples of material design and development using (1) classical thermodynamics; (2) CALPHAD (calculation of phase diagrams) modeling; and (3) Integrated Computational Materials Engineering (ICME) approaches. Although the examples are given in lightweight aluminum and magnesium alloys for structural applications, the fundamental methodology and modeling principles are applicable to all materials and engineering applications. The examples in this paper have demonstrated the effectiveness and limitations of classical thermodynamics in solving specific problems (such as nucleation during solidification and solid-state precipitation in aluminum alloys). Computational thermodynamics and CALPHAD modeling, when combined with critical experimental validation, have been used to guide the selection and design of new magnesium alloys for elevated-temperature applications. The future of material design and development will be based on a holistic ICME approach. However, key challenges exist in many aspects of ICME framework, such as the lack of diffusion/mobility databases for many materials systems, limitation of current microstructural modeling capability and integration tools for simulation codes of different length scales.     

Intrinsic dielectric behavior of Mg2TiO4 spinel ceramic

In the work, we focused on the intrinsic dielectric behavior of Mg₂TiO₄ spinel ceramic by P–V–L theory and infrared spectra analysis. Ti–O bonds have larger bond ionicity values, thus playing an important role in dielectric polarization. The theoretical dielectric constant was predicted by calculating the bond susceptibility of each chemical bond. Furthermore, Ti(1)–O bonds are responsible for the structural stability of Mg₂TiO₄ ceramic. Based on classical dispersion theory, permittivity and loss corresponding to each infrared active mode were quantified, and then the crucial contribution of low-frequency modes to intrinsic dielectric properties were determined.     

Development of a rapid crosslinking preceramic polymer system

A low-viscosity, fast crosslinking preceramic polymer system was developed as a base for liquid state processing. The system consists of a water-crosslinkable silicone polymer, a latent water source for in situ water generation, and a tin catalyst. While the silicone polymer and the water source can be mixed in any proportion, the catalyst must be added separately to achieve crosslinking at room temperature within a short time. By pyrolysis in inert atmosphere at 1000 °C the system was shown to have a high ceramic yield of ∼54 wt.%. The base system is compatible with alkanes, which makes it suitable for viscosity control when the system is filler-loaded for tailoring of properties. Due to its low viscosity one possible use of the system is in inkjet printing. Further since the crosslinking is rapid it can also be used in the layer by layer manufacturing of ceramic parts.     

Facile route to fabricate large-scale silver microtubes

Large-scale uniform Ag microtubes with high length diameter ratios have been first successfully synthesized by a facile approach, using low-cost super fine glass fibers as templates. The samples were characterized by SEM and XRD. The investigations showed that calcining or adding of PEG-1000 and alcohol could greatly improve the mechanical strength of the sample. Especially the products exhibited favorable catalytic properties during the degradation of Rhodamine B by NaBH₄.     

注射成形粘结NdFeB磁体:工艺·性能·应用

综合介绍了几种适于注射成形粘结NdFeB磁体的磁粉制备方法及特点；讨论了粘结剂、改性剂及磁场取向对注射成形NdFeB磁体最终磁性能的影响及其应用市场。在此基础上，指出了今后开展研究工作的方向。     

Delayed failure of ceramic matrix composites in tension at elevated temperatures

Ultimate tensile strength of five different continuous fiber-reinforced ceramic matrix composites (CMCs), including SiC_f/BSAS (two dimensional (2D), 2 types), SiC_f/MAS (2D), SiC_f/SiC (2D), and C_f/SiC (2D, 2 types), was determined as a function of test rate at 1100–1200 °C in air. All five CMCs exhibited a significant dependency of ultimate tensile strength on test rate such that the ultimate tensile strength decreased with decreasing test rate. The dependency of ultimate tensile strength on test rate, the applicability of preload technique, and the predictability of life from one loading configuration (constant stress-rate loading) to another (constant stress loading) all suggested that the overall, phenomenological delayed failure of the CMCs would be governed by a power-law type of slow crack growth.