Experimental determination of interfacial energy for solid Al in the Al-Sn-Mg eutectic system with Bridgman-type apparatus

The equilibrated grain boundary groove shape of solid Al in equilibrium with Al-Sn-Mg eutectic liquid was observed by using a Bridgman type directional solidification apparatus. The ratio of the thermal conductivity of the equilibrated liquid to the thermal conductivity of solid Al has been obtained as 0.91. In addition, the average Gibbs-Thomson coefficient, $\bar{\mathrm{\Gamma }}=(4.20\pm 0.35)\times {10}^{-8}\mathrm{Km}$, the solid-liquid interfacial energy, ${\sigma }_{SL}=180.68\pm 23.48\text{mJ}/{\text{m}}^2$ and the grain boundary energy, ${\sigma }_{GB}=309.30\pm 29.47\text{mJ}/{\text{m}}^2$, in the Al/Al-Sn-Mg system have been calculated from the measured grain boundary shapes.     

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.     

Amorphous silicon hexaboride at high pressure

ABSTRACT

We investigate the pressure-induced structural phase transformation of amorphous silicon hexaboride (a-SiB₆) using a constant pressure first principles approach. a-SiB₆ is found to undergo a gradual phase transformation to a high-density amorphous phase (HDA) in which the average coordination number of both B and Si atoms is about 6. The HDA phase consists of differently coordinated motifs ranging from 4 to 8. B₁₂ icosahedra are found to persist during compression of a-SiB₆ and the structural modifications primarily occur around Si atoms and in the regions linking pentagonal pyramid-like configurations to each other. Upon pressure release, an amorphous structure, similar to the uncompressed one, is recovered, indicating a reversible amorphous-to-amorphous phase change in a-SiB_6. When the electronic structure is considered, the HDA phase is perceived to have a wider forbidden band gap than the uncompressed one.     

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.     

Enhanced Dual Fuel Cell Electrocatalysis with Trimetallic PtPdCo Mesoporous Nanoparticles

The facile preparation of platinum‐based catalysts with designed compositions and structures is of great importance for fuel cells. In this work, a one‐pot method is developed to synthesize monodispersed trimetallic PtPdCo mesoporous nanoparticles (PtPdCo MNs) with uniform morphology and size. The proposed synthetic method does not require any hard template or organic solvent, which greatly simplifies the preparation procedure. PtPdCo MNs, with a highly porous structure, exhibit enhanced electrocatalytic activities and excellent stabilities for both the formic acid oxidation reaction and the oxygen reduction reaction, relative to bimetallic PtPd MNs and commercial Pt/C catalyst. The proposed synthetic method is highly valuable for the design of mesoporous multimetallic catalysts for fuel cells.     

Influence of temperature and alloying elements on the threshold displacement energies in concentrated Ni–Fe–Cr alloys

Concentrated solid-solution alloys(CSAs) have demonstrated promising irradiation resistance depending on their compositions. Under irradiation, various defects can be produced. One of the most important parameters characterizing the defect production and the resulting defect number is the threshold displacement energies(E_d). In this work, we report the results of E_dvalues in a series of Ni–Fe–Cr concentrated solid solution alloys through molecular dynamics(MD)simulations. Based on several different empirical potentials, we show that the differences in the E_dvalues and its angular dependence are mainly due to the stiffness of the potential in the intermediate regime. The influences of different alloying elements and temperatures on E_dvalues in different CSAs are further evaluated by calculating the defect production probabilities. Our results suggest a limited influence of alloying elements and temperature on E_dvalues in concentrated alloys. Finally, we discuss the relationship between the primary damage and E_dvalues in different alloys. Overall, this work presents a thorough study on the E_dvalues in concentrated alloys, including the influence of empirical potentials,their angular dependence, temperature dependence, and effects on primary defect production.     

Determination of lanthanum and cerium in cmsx-4 nickel-based superalloys by inductively coupled plasma mass spectrometryEI北大核心CSCD

CMSX-4 is the second-generation nickel-based single crystal superalloy used widely in the world. The oxidation resistance and corrosion resistance of CMSX-4 alloy can be improved by adding trace lanthanum (La), cerium (Ce) and other rare earth elements. A method for the simultaneous determination of La and Ce in CMSX-4 nickel-based superalloy by wet dissolution-inductively coupled plasma mass spectrometry was established. The sample was heated and dissolved under normal pressure by aqua regia and hydrofluoric acid, and the interference of fluorine ion was eliminated by using perchloric acid. The amount of dissolved acid and the digestion conditions were optimized. The limits of detection were 0.23 μg/g for La and 0.85 μg/g for Ce under optimized conditions. The spiked recoveries were 95.0%–98.9% with the relative standard deviations of 1.3%–3.9%, which can meet the requirements of accurate and rapid determination of La and Ce in CMSX-4 nickel-based superalloy. © 2023, Youke Publishing Co.,Ltd. All rights reserved.     

Enabling the Operation of Highly Compatible LiI-3-Hydroxypropionitrile Small-Molecule Solid-State Electrolytes in Lithium Metal Batteries via Stepped-Amorphization Strategy

Integrating the advantages of both inorganic ceramic and organic polymer solid-state electrolytes, small-molecule solid-state electrolytes represented by LiI-3-hydroxypropionitrile (LiI-HPN) inorganic–organic hybrid systems possess good interfacial compatibility and high modulus. However, their lack of intrinsic Li⁺ conduction ability hinders potential application in lithium metal batteries until now, despite containing LiI phase composition. Herein, inspired by evolution tendency of ionic conduction behaviors together with first-principles molecular dynamics simulations, we propose a stepped-amorphization strategy to break the Li⁺ conduction bottleneck of LiI-HPN. It involves three progressive steps of composition (LiI-content increasing), time (long-time standing), and temperature (high-temperature melting) regulations, to essentially construct a small-molecule-based composite solid-state electrolyte with intensified amorphous degree, which realizes efficient conversion from an I⁻ to Li⁺ conductor and improved conductivity. As a proof, the stepped-optimized LiI-HPN is successfully operated in lithium metal batteries cooperated with Li₄Ti₅O₁₂ cathode to deliver considerable compatibility and stability over 250 cycles. This work not only clarifies the ionic conduction mechanisms of LiI-HPN inorganic–organic hybrid systems, but also provides a reasonable strategy to broaden the application scenarios of highly compatible small-molecule solid-state electrolytes.     

Efficient Visible-Light-Activated Ultra-Long Room-Temperature Phosphorescence Triggered by Multi-Esterification

The development of ultra-long room-temperature phosphorescence (UL-RTP) in processable amorphous organic materials is highly desirable for applications in flexible displays, anti-counterfeiting, and bio-imaging. However, achieving efficient UL-RTP from amorphous materials remains a challenging task, especially with activation by visible light and a bright afterglow. Here we report a general and rational molecular-design strategy to enable efficient visible-light-excited UL-RTP by multi-esterification of a rigid large-plane phosphorescence core. Notably, multi-esterification minimizes the aggregation-induced quenching and accomplishes a ′four birds with one stone′ possibility in the generation and radiation process of UL-RTP: i) shifting the excitation from ultraviolet light to blue-light through enhancing the transition dipole moment of low-lying singlet-states, ii) facilitating the intersystem crossing process through the incorporation of lone-pair electrons, iii) boosting the decay process of long-lived triplet excitons resulting from a significantly increased transition dipole moment, and iv) reducing the intrinsic triplet nonradiative decay by substitution of high-frequency vibrating hydrogen atoms. All these factors synergistically contribute to the most efficient and stable visible-light-stimulated UL-RTP (lifetime up to 2.01 s and efficiency up to 35.4 % upon excitation at 450 nm) in flexible films using multi-esterified coronene, which allows high-tech applications in single-component time-delayed white light-emitting diodes and information technology based on flashlight-activated afterglow encryption.     

Activation-induced layered structure in NiCoAl by atomic modulation for energy storage application

The surface activation of alloys favors their electrochemical interactions, ion diffusivity, and the rapid kinetics of ions and electrons, leading to the formation of self-supported layered double hydroxides (LDHs) in them. However, the formation of LDHs at different depths in the alloy upon activation, their electronic/atomic structures, and their electrochemical charge storage mechanism, have not been thoroughly explored. Herein, Ni ion-substituted CoAl alloys are prepared by arc melting and activated by KOH electrolyte, which is responsible for the modulation of the atomic configuration as confirmed by XRD. Raman depth mapping demonstrates how the LDHs vary with depth upon activation and that the octahedral and tetrahedral symmetry sites of CoO and Co₃O₄ are responsible for the formation of the layered structures of CoOOH and Co(OH)₂, respectively. The activated Ni₁₀Co₈₅Al₅ has a superior volumetric capacitance of 4.15 F/cm³ at 0.5 mA/g, which is 38.6 times that of an unactivated one, and excellent cyclic stability up to 5000 cycles, and a voltage of 0.54 V generated from a fabricated supercapacitor cell. X-ray Absorption Spectroscopy (XAS) analysis indicates greater charge transfer by Co than by Ni and the modulation of the local atomic structures facilitates electrochemical charge storage in Ni₁₀Co₈₅Al₅. This work presents an easy route for the development of advanced LDHs, and the mechanism of electrochemical charge storage in them.