Molecular dynamic study of temperature dependence of mechanical properties and plastic inception of CoCrCuFeNi high-entropy alloy

Molecular dynamics simulations are performed to study mechanical characteristics and homogeneous plastic inception of CoCrCuFeNi high-entropy alloy at various temperatures under uniaxial tension. It is found that the elastic modulus and ultimate tensile strength increase with temperature decreasing. A notable softening effect is observed at the elastic deformation stage caused by the decrease of the interatomic force gradient. Extrinsic stacking faults and deformation twins are extensively observed, which are formed via intrinsic stacking faults overlap.     

Carbon Encapsulation of High Entropy Alloy Nanoparticles with Extraordinary Coercivity and Saturation at Room Temperature

Owing to their unique properties and technological potential, high entropy alloys (HEAs) have become the subject of great interest in the materials science community. HEAs consist of more than four principle elements in equimolar ratio so their configurational entropy is intrinsically greater than one-principle element based. The increasing surface energy and chemical tendency toward clustering of like atoms at low dimension, however, make production of HEA-nanoparticles (HEA-NPs) extremely difficult. A facile production of HEA-NPs inside carbon nanotubes and nanoparticles is demonstrated in this work. Electron microscopic and elemental analyses confirm encapsulated to be solution phase; some embrace carbides and form multidomains with chemical composition ranging from quaternary to quinary phase. Multidomains and nonmagnetic centers create hardening thus promoting coercivity significantly at room temperature. Alloying induces electron redistribution into high spin states, accounting for observed high saturation. Configurational entropy of encapsulated HEA-NPs lies on a range comparable with bulk.     

Sonication-Assisted Synthesis of Bimetallic Hg/Pd Alloy Nanoparticles for Catalytic Reduction of Nitrophenol and its Derivatives

In this article, we report a facile approach for the synthesis of an inexpensive catalyst of bimetallic Hg/Pd alloys comprising nanoparticles with various structures using a unique ultrasonic reaction that is conducted without the use of any reducing agent. The nanoparticles of Hg/Pd alloys (HgPd and Hg₂Pd₅) were achieved for the first time by sonicating an aqueous solution of Palladium (II) nitrate with metallic liquid mercury, as evidenced by XRD. EDS further confirmed the presence of Pd and Hg elements in the alloy. The surface morphology and structure of the nanoparticles have been systematically investigated by HRSEM, HRTEM and SAED pattern. In order to explore the catalytic activity of the as-synthesized nanoalloys, the catalytic reduction of 4-nitrophenol and a few other nitrophenol derivatives were investigated. Excellent catalytic activity was obtained for Hg/Pd (1:1) alloy, and the rate constant for the reduction of 4-NP with Hg/Pd at room temperature was found to be 58.4 × 10⁻³ s⁻¹, which is possibly the highest ever reported. The catalyst exhibited superior stability and reusability when compared with those reported in the literature for other catalysts based on noble metals.     

Instantaneous work hardening behaviour of two-phase tungsten heavy alloys: a phenomenological approach

ABSTRACT

The present work describes a phenomenological approach to explain the instantaneous behaviour of tungsten heavy alloys (WHAs) in heat-treated and swaged conditions. The strengths and elongation values of heat-treated materials are lower and higher than those of the swaged samples respectively. The heat-treated materials exhibit two slopes in true stress–true plastic strain curves and follow the Ludwigson constitutive equation. On the other hand, swaged materials display a single slope and adhere to typical Swift constitutive equation. The latter reflect the presence of pre-strain in the materials due to swaging deformation. The fracture surfaces in heat-treated materials consist of W-W decohesion along with matrix rupture and W-cleavage, while swaged samples consist of mainly W-cleavage. Both the materials display three typical stages (I, II and III) of work hardening. The second derivatives of true stress–true plastic strain curves of these alloys exhibit a perfect parabola although the nature of true stress–true strain as well as true stress–true plastic strain curves is quite different in heat-treated and swaged materials. This has been observed for the first time in WHAs consisting of matrix and W-grains. The shape of the parabola is simple and easy to fit. The fitting parameters of parabolas have been successfully employed to explain the flow behaviour of a large number of tungsten heavy alloys having two-phase microstructure in different processing conditions.     

稀土在中国高新材料研制开发中的应用

我国在稀土资源和稀土原料的生产方面都居世界领先地位，近年来稀土高新材料的研制与开发也取得重大进展。本文概述了我国在稀土高新材料开发与研究方面的成果，指出今后应把稀土应用基础研究、中重稀土的应用研究和稀土在能源领域的应用研究作为重点进一步开展工作。     

i氨合成催化剂的研究进展*

高稳定性、高活性、低成本的氨合成催化剂的研究已成为新的研究热点。本文从载体的制备和改性方法、钌活性组分还原与负载、助剂的机理及其作用等方面简要地介绍了氧化物负载钌催化剂的最新研究进展,此外,结合密度泛函理论的计算和实验研究成果,介绍了合金型催化剂特别是熔铁型合金催化剂、氮化物金属合金体系及负载型多金属氨合成催化剂的研究现状,指出了氧化物负载钌催化剂及合金型催化剂研究存在的一些问题并展望了氨合成催化剂的发展前景。     

离子液体辅助合成AuPd纳米海绵及催化性能

在功能化离子液体氯化1-羟乙基-3-甲基咪唑([HEmim]Cl)辅助下, 在室温水溶液中一步快速合成了具有多孔海绵状结构的AuPd纳米材料. 通过场发射扫描电子显微镜(FESEM)、 透射电子显微镜(TEM)、 X射线能谱(EDX)和X射线衍射分析(XRD)等对该材料进行了表征. 结果表明, AuPd纳米海绵为合金结构, 由表面粗糙的纳米颗粒聚集熔接而成. 采用不同摩尔比(3∶1, 1∶1或1∶3)的前驱物HAuCl₄和Na₂PdCl₄均可制备出海绵状AuPd合金结构. 离子液体对AuPd纳米海绵状结构的形成起关键作用. 在对硝基苯酚还原反应中, 不同组成的AuPd纳米海绵均表现出比商用Pd/C催化剂更优异的性能. 其中, Au₁Pd₃纳米海绵具有最高的催化活性, 反应在98 s内即可完成, 反应速率常数为0.0143 s ^-1, 是商用Pd/C的2.3倍. 该方法也可用于制备其它双金属(如PdCu, PtCu等)和多金属纳米海绵.     

The Direct Synthesis of Hydrogen Peroxide Using Platinum‐Promoted Gold–Palladium Catalysts

The direct synthesis of hydrogen peroxide offers a potentially green route to the production of this important commodity chemical. Early studies showed that Pd is a suitable catalyst, but recent work indicated that the addition of Au enhances the activity and selectivity significantly. The addition of a third metal using impregnation as a facile preparation method was thus investigated. The addition of a small amount of Pt to a CeO₂‐supported AuPd (weight ratio of 1:1) catalyst significantly enhanced the activity in the direct synthesis of H₂O₂ and decreased the non‐desired over‐hydrogenation and decomposition reactions. The addition of Pt to the AuPd nanoparticles influenced the surface composition, thus leading to the marked effects that were observed on the catalytic formation of hydrogen peroxide. In addition, an experimental approach that can help to identify the optimal nominal ternary alloy compositions for this reaction is demonstrated.     

Electrolytic Formation of Crystalline Silicon/Germanium Alloy Nanotubes and Hollow Particles with Enhanced Lithium‐Storage Properties

Crystalline silicon(Si)/germanium(Ge) alloy nanotubes and hollow particles are synthesized for the first time through a one‐pot electrolytic process. The morphology of these alloy structures can be easily tailored from nanotubes to hollow particles by varying the overpotential during the electro‐reduction reaction. The continuous solid diffusion governed by the nanoscale Kirkendall effect results in the formation of inner void in the alloy particles. Benefitting from the compositional and structural advantages, these SiGe alloy nanotubes exhibit much enhanced lithium‐storage performance compared with the individual solid Si and Ge nanowires as the anode material for lithium‐ion batteries.     

稀土元素对R-Y-Ni系A2B7型无镁储氢合金微观结构和电化学性能的影响

采用真空电弧熔炼及退火处理制备R-Y-Ni系A_2B_7型R0.3Y0.7Ni3.25Mn0.15Al0.1(R=Y,La,Pr,Ce,Nd,Gd,Sm)储氢合金,系统研究稀土元素R对合金微观组织与结构、储氢和电化学性能的影响。XRD和SEM-EDS分析表明,合金退火组织由Ce2Ni7型主相、PuNi3型及少量Ca Cu5型相组成,Ce2Ni7型主相的晶格常数a、c及晶胞体积V均随稀土R原子半径的减小而依次降低。该合金均具有明显的吸放氢平台,常温下最大吸氢容量为1.17%~1.48%(w/w),吸氢平台压Peq为0.037~0.194 MPa。电化学分析表明,退火合金电极的电化学活化性能优良,R=La合金具有最高的放电容量(389.2 mAh·g-1)和较佳的容量保持率(充放电循环100次后的S100=85.7%),其中合金微观组织的不均匀性及稀土元素的电化学腐蚀是影响电极循环稳定性的主要原因。合金电极的高倍率放电性能(电流密度为900 m A·g-1)HRD900=71.05%~86.94%,其电极反应动力学控制步骤主要由氢原子在合金体相中的扩散速率所控制。