Hydriding properties of uranium alloys for purposes of searching for new hydrogen storage materials

Hydriding properties of uranium alloys have been studied to search for new hydrogen storage materials to be applied to hydrogen energy systems. Application of uranium-base hydrogen storage materials can be expected to alleviate the risk, as well as to reduce the cost incurred by globally-stored large amounts of depleted uranium left after uranium enrichment. Various uranium alloys have been examined in terms of hydrogen absorptiondesorption properties, among which UNi Al intermetallic compound showed promising characteristics, such as lower absorption-desorption temperatures and better anti-powdering strength. First principle calculation has been carried out on UNi Al hydride to predict the change of crystal structure and the lattice constant with increasing hydrogen content, which showed this calculation to be promising in predicting candidates for good hydrogen absorbers.

User Instructions for the Dynamic Database of Solid-State Electrolyte 2.0(DDSE 2.0)

The Dynamic Database of Solid-State Electrolyte(DDSE)is an advanced online platform offering a comprehensive suite of tools for solid-state battery research and development.Its key features include statistical analysis of both experimental and computational solid-state electrolyte(SSE)data,interactive visualization through dynamic charts,user data assessment,and literature analysis powered by a large language model.By facilitating the design and optimization of novel SSEs,DDSE serves as a critical resource for advancing solid-state battery technology.This Technical Report provides detailed tutorials and practical examples to guide users in effectively utilizing the platform.

Data-Driven Viewpoint for Developing Next-Generation Mg-Ion Solid-State Electrolytes

Magnesium(Mg)is a promising alternative to lithium(Li)as an anode material in solid-state batteries due to its abundance and high theoretical volumetric capacity.However,the sluggish Mg-ion conduction in the lattice of solidstate electrolytes(SSEs)is one of the key challenges that hamper the development of Mg-ion solid-state batteries.Though various Mg-ion SSEs have been reported in recent years,key insights are hard to be derived from a single literature report.Besides,the structure-performance relationships of Mg-ion SSEs need to be further unraveled to provide a more precise design guideline for SSEs.In this viewpoint article,we analyze the structural characteristics of the Mg-based SSEs with high ionic conductivity reported in the last four decades based upon data mining-we provide big-data-derived insights into the challenges and opportunities in developing next-generation Mg-ion SSEs.

High-temperature corrosion of sintered RE_(2)Si_(2)O_(7)(RE=Yb and Ho)environmental barrier coating materials by volcanic ash

Rare-earth silicates are promising environmental barrier coatings(EBCs)that can protect SiC_(f)/Si C_(m)substrates in next-genera tion gas turbine blades.Notably,RE_(2)Si_(2)O_(7)(RE=Yb and Ho)shows potential as an EBC due to its coefficient of thermal expansion(CTE)compatible with substrates and high resistance to water vapor corrosion.The target operating temperature for next-generation tur bine blades is 1400°C.Corrosion is inevitable during adhesion to molten volcanic ash,and thus,understanding the corrosion behavior o the material is crucial to its reliability.This study investigates the high-temperature corrosion behavior of sintered RE_(2)Si_(2)O_(7)(RE=Yb and Ho).Samples were prepared using a solid-state reaction and hot-press method.They were then exposed to volcanic ash at 1400°C for 224,and 48 h.After 48 h of exposure,volcanic ash did not react with Yb_(2)Si_(2)O_(7)but penetrated its interior,causing damage.Meanwhile Ho_(2)Si_(2)O_(7)was partially dissolved in the molten volcanic ash,forming a reaction zone that prevented volcanic ash melts from penetrating the interior.With increasing heat treatment time,the reaction zone expanded,and the thickness of the acicular apatite grains increased The Ca:Si ratios in the residual volcanic ash were mostly unchanged for Yb_(2)Si_(2)O_(7)but decreased considerably over time for Ho_(2)Si_(2)O_(7).Th Ca in volcanic ash was consumed and formed apatite,indicating that RE^(3+)ions with large ionic radii(Ho>Yb)easily precipitated apatit from the volcanic ash.

Rational Design of Cost-Effective Metal-Doped ZrO_(2)for Oxygen Evolution Reaction

The design of cost-effective electrocatalysts is an open challenging for oxygen evolution reaction(OER)due to the“stable-oractive”dilemma.Zirconium dioxide(ZrO_(2)),a versatile and low-cost material that can be stable under OER operating conditions,exhibits inherently poor OER activity from experimental observations.Herein,we doped a series of metal elements to regulate the ZrO_(2)catalytic activity in OER via spin-polarized density functional theory calculations with van der Waals interactions.Microkinetic modeling as a function of the OER activity descriptor(G_(O*)-G_(HO*))displays that 16 metal dopants enable to enhance OER activities over a thermodynamically stable ZrO_(2)surface,among which Fe and Rh(in the form of single-atom dopant)reach the volcano peak(i.e.the optimal activity of OER under the potential of interest),indicating excellent OER performance.Free energy diagram calculations,density of states,and ab initio molecular dynamics simulations further showed that Fe and Rh are the effective dopants for ZrO_(2),leading to low OER overpotential,high conductivity,and good stability.Considering cost-effectiveness,single-atom Fe doped ZrO_(2)emerged as the most promising catalyst for OER.This finding offers a valuable perspective and reference for experimental researchers to design cost-effective catalysts for the industrial-scale OER production.

Unraveling the coordination behavior and transformation mechanism of Cr^(3+) in Fe–Cr redox flow battery electrolytes

Currently,the iron chromium redox flow battery(ICRFB)has become a research hotspot in the energy storage field owing to its low cost and easily-scaled-up.However,the activity of electrolyte is still ambiguous due to its complicated solution environment.Herein,we performed a pioneering investigation on the coordination behavior and transformation mechanism of Cr^(3+)in electrolyte and prediction of impurity ions impact through quantum chemistry computations.Based on the structure and symmetry of electrostatic potential distribution,the activity of different Cr^(3+)complex ions is confirmed as[Cr(H2O)5Cl]^(2+)>[Cr(H2O)4Cl2]+>[Cr(H2O)6]^(3+).The transformation mechanism between[Cr(H2O)6]^(3+)and[Cr(H2O)5Cl]^(2+)is revealed.We find the metal impurity ions(especially Mg^(2+))can exacerbate the electrolyte deactivation by reducing the transformation energy barrier from[Cr(H2O)5Cl]^(2+)(24.38 kcal mol^(−1))to[Cr(H2O)6]^(3+)(16.23 kcal mol^(−1)).The solvent radial distribution and mean square displacement in different solvent environments are discussed and we conclude that the coordination configuration limits the diffusivity of Cr^(3+).This work provides new insights into the activity of electrolyte,laying a fundamental sense for the electrolyte in ICRFB.

DESIGN AND DEVELOPMENT OF A HIGH PERFORMANCE ANODE FOR CHLORINE-EVOLUTION

The literatures were analyzed,ingredients were designed»the mono/double layered structures were experimented.It was found that the excellent titanium anodes could be obtained by adding cobalt into the intermediate layer.So an anode material with both high activity and corrosion resistance was developed.

Microstructural analyses of all-solid-state Li–S batteries using LiBH4-based solid electrolyte for prolonged cycle performance

Complex hydride materials have been widely investigated as potential solid electrolytes because they have good compatibility with the lithium metal anodes used in all-solid-state batteries. However, the development of all-solid-state batteries utilizing complex hydrides has been difficult as these cells tend to have short cycle lives. This study investigated the capacity fading mechanism of all-solid-state lithium–sulfur(Li–S) batteries using Li4(BH4)3I solid electrolytes by analyzing the cathode microstructure. Crosssectional scanning electron microscopy observations after 100 discharge–charge cycles revealed crack formation in the Li4(BH4)3I electrolyte and an increased cathode thickness. Raman spectroscopy indicated that decomposition of the Li4(BH4)3I solid electrolyte occurred at a constant rate during the cycling tests.To combat these effects, the cycle life of Li–S batteries was improved by increasing the amount of solid electrolyte in the cathode.

Synergistic interactions between the charge‐transport and mechanical properties of the ionic‐liquid‐based solid polymer electrolytes for solid‐state lithium batteries

The performance sensitivity of the solid‐state lithium cells to the synergistic interactions of the charge‐transport and mechanical properties of the electrolyte is well acknowledged in the literature,but the quantitative insights therein are very limited.Here,the charge‐transport and mechanical properties of a polymerized ionic‐liquid‐based solid electrolyte are reported.The transference number and diffusion coefficient of lithium in the concentrated solid electrolyte are measured as a function of concentration and stack pressure.The elastoplastic behavior of the electrolyte is quantified under compression,within a home‐made setup,to substantiate the impact of stack pressure on the stability of the Li/electrolyte interface in the symmetric lithium cells.The results spotlight the interaction between the concentration and thickness of the solid electrolyte and the stack pressure in determining the polarization and stability of the solid‐state lithium batteries during extended cycling.

Microstructural evolution of copper-titanium alloy during in-situ formation of TiB_2 particles

Bulk Cu-Ti alloy reinforced by TiB2 nano particles was prepared using in-situ reaction between Cu 3.4%Ti and Cu-0.7%B master alloys along with rapid solidification and subsequent heat treatment for 1-10 h at 900 ℃. High-resolution transmission electron microscopy （HRTEM） characterization showed that primary TiB2 nano particles and TiB whiskers were formed by in-situ reaction between Ti and B in the liquid copper. The formation of TiB whiskers within the melt led to coarsening of TiB2 particles. Primary TiB2 particles were dispersed along the grain boundaries and hindered grain growth at high temperature, while the secondary TiB2 particles were formed during heat treatment of the alloy by diffusion reaction of solute titanium and boron inside the grains. Electrical conductivity and hardness of the composite were evaluated during heat treatment. The results indicated that the formation of secondary TiB2 particles in the matrix caused a delay in hardness reduction at high temperature. The electrical conductivity and hardness increased up to 8 h of heat treatment and reached 33.5% IACS and HV 158, respectively.

Carbon‐based metal‐free catalysts for electrochemical CO2 reduction: Activity, selectivity, and stability

Zero or negative emissions of carbon dioxide(CO2)is the need of the times,as inexorable rising and alarming levels of CO2 in the atmosphere lead to global warming and severe climate change.The electrochemical CO2 reduction(eCO2R)to value‐added fuels and chemicals by using renewable electricity provides a cleaner and more sustainable route with economic benefits,in which the key is to develop clean and economical electrocatalysts.Carbon‐based catalyst materials possess desirable properties such as high offset potential for H2 evolution and chemical stability at the negative applied potential.Although it is still challenging to achieve highly efficient carbon‐based catalysts,considerable efforts have been devoted to overcoming the low selectivity,activity,and stability.Here,we summarize and discuss the recent progress in carbon‐based metal‐free catalysts including carbon nanotubes,carbon nanofibers,carbon nanoribbons,graphene,carbon nitride,and diamonds with an emphasis on their activity,product selectivity,and stability.In addition,the key challenges and future potential approaches for efficient eCO2R to low carbon‐based fuels are highlighted.For a good understanding of the whole history of the development of eCO2R,the CO2 reduction reactions,principles,and techniques including the role of electrolytes,electrochemical cell design and evaluation,product selectivity,and structural composition are also discussed.The metal/metal oxides decorated with carbon‐based electrocatalysts are also summarized.We aim to provide insights for further development of carbon‐based metal‐free electrocatalysts for CO2 reduction from the perspective of both fundamental understanding and technological applications in the future.

Crystal Growth Kinetics and Size Controls——Ⅰ.for Some Anode Active Oxides

RuO2,IrO2 and PdO are the most frequently employed active oxides in titanium anode coatings,so studies on the kinetics of their crystal-growth are important for anode material preparations.In this paper,the particle growths of RuO2,IrO2 and PdO with increased temperature were discussed.The least-squares method was used to fit the kinetic data.As a result,the two-stage phenomena are found in all three noble material systems.The linear regression equations are correct both for the first and second stages.It is suggested that based on the corresponding kinetics equation Ln D =-QL/kT ＋ a,the sizes of oxide particles can be controlled for the three noble oxides.

A Comparative Study of the Phase Distribution in Carbon-Silica Hybrid Fillers for Rubber Obtained by Different Methods

Different types of carbon-silica fillers were prepared via pyrolysis-cum-water vapor of waste green tires tread and impregnation method. Dual phase fillers have been characterized by energy dispersive X-ray (EDX) spectroscopy in a scanning transmission electron microscope (STEM) or STEM-EDX. Phase distribution in hybrid fillers for rubber was investigated. The results achieved show that the conditions of obtaining influence the distribution and the location of the phases in the carbon-silica hybrid fillers as well as their most essential characteristics including specific area, oil absorption number, iodine adsorption number, ash content and others.

A New Probe: AFM Measurements for Random Disorder Systems

We study the quenched random disorder(QRD) effects created by aerosil dispersion in the octylcyanobiphenyl(8CB) liquid crystal(LC) using atomic force microscopy technique. Gelation process in the 8CB+aerosil gels yields a QRD network which also changes the surface topography. By increasing the aerosil concentration, the original smooth pattern of LC sample surfaces is suppressed by the emergence of a fractal aerosil surface effect and these surfaces become more porous, rougher and they have more and larger crevices. The dispersed aerosil also serves as pinning centers for the liquid crystal molecules. It is observed that via the diffusion-limitedaggregation process, aerosil nano-particles yield a fractal-like surface pattern for the less disordered samples. As the aerosil dispersion increases, the surface can be described by more aggregated regions, which also introduces more roughness. Using this fact, we show that there is a net correlation between the short-range ordered x-ray peak widths(the results of previous x-ray diffraction experiments) and the calculated surface roughness. In other words, we show that these QRD gels can also be characterized by their surface roughness values.

Correlation between the glass-forming ability and activation energy of crystallization for Zr_(75-x)Ni_(25)Al_x metallic glasses

The thermal stability and the kinetics of glass transition and crystallization for Zr75-xNi25Alx （x = 8-15） metallic glasses were investigated using differential scanning calorimetry （DSC） under continuous heating conditions. The apparent activation energy of glass transition rises monotonously with the A1 content increasing; the activation energy of crystallization increases with A1 changing from 8at% to 15at%, and then decreases with A1 further up to 24at%, which exhibits a good correlation to the thermal stability and the glass-forming ability （GFA）. The Zr60Ni25A115 metallic glass with the largest supercooled liquid region and GFA possesses the highest activation energy of crystallization. The relation between the thermal stability, GFA and activation energy of crystallization was discussed in terms of the primary precipitated phases.

Multi-relaxation-time lattice Boltzmann front tracking method for two-phase flow with surface tension

In this paper, an improved incompressible multi-relaxation-time lattice Boltzmann-front tracking approach is proposed to simulate two-phase flow with a sharp interface, where the surface tension is implemented. The lattice Boltzmann method is used to simulate the incompressible flow with a stationary Eulerian grid, an additional moving Lagrangian grid is adopted to track explicitly the motion of the interface, and an indicator function is introduced to update the fluid properties accurately. The interface is represented by using a four-order Lagrange polynomial through fitting a set of discrete marker points, and then the surface tension is directly computed by using the normal vector and curvature of the interface. Two benchmark problems, including Laplace＇s law for a stationary bubble and the dispersion relation of the capillary wave between two fluids are conducted for validation. Excellent agreement is obtained between the numerical simulations and the theoretical results in the two cases.

Development of Composite Textile Structures for Wound Dressing Applications

The main objective of this research work was the development of novel and responsive nonwoven composite structures containing gelling materials for wound management. The development of novel all inclusive collagen booster(CB) therapeutic nonwoven wound dressings was mainly focused on. It provides essential functional properties such as high absorption,vertical and lateral wicking,and antibacterial and acidic pH properties. The developed composite wound dressing consisted of carboxymethylcellulose(CMC) fibre and also it was reinforced with polylactic acid( PLA) fibre. The produced composite wound dressings were treated with two different CBs at 4% by using the spray method. The details of the CBs have not been disclosed in this paper due to the Intellectual Property Rights( IPR) issues. The important benefit of using CB treatment is that it allows the maintenance of an acidic pH environment at the wound area. It is well known that acidic pH reduces the wound healing time and enhances the wound healing process. Furthermore,one of the CBs not only promotes the proliferation of the epithelial cells in wounds but also can provide antibacterial action. The PLA fibre reinforced CMC composite dressing has enhanced wicking properties which help to minimise the pooling of exudate on the wound bed and as a result maceration is prevented. The CBs treated dressings maintain the wound bed in an acidic pH condition which also improves the wound healing process. In addition to the above-mentioned properties,the CB treatment imparts antimicrobial activity against Gram-positive and Gram-negative bacteria,thus resulting in the reduction in the propensity for wound infection. Ultimately,the research has proved that the 4% CB treatment enhances the antimicrobial activity and the acidic pH characteristics of the developed CMC /PLA composite wound dressings.

Effect of the formation process of transient liquid phase (TLP) on the interface structure of TiAl joints

TiAl has been joined employing the transient liquid phase （TLP） bonding with Ti combined with Cu, Ni or Fe foils. Experimental results showed that though the interface structures of the joints are quite different, all the joined zones are composed of five sublayers, i.e. two diffusion zones, two interfacial zones and an interlayer. It has been convinced that the formation process of the transient liquid phase controls the diffusion behavior of melting point depressant （MPD） Cu, Ni, and Fe atoms, which leads to form different interface structures of the joints.

Development of a database for the prediction of phases in Pt-based Superalloys:Cr-Pt-Ru

Work has been ongoing in building a thermodynamic database for the prediction of phase equilibria in Pt-based superalloys. The alloys are being developed for high texture applications in aggressive environments. The database will aid the design of alloys by enabling the calculation of the composition and proportions of phases present in alloys of different compositions. In order to extend this database, a preliminary assessment of the Cr-Pt-Ru system has been undertaken, using a combination of Pandat and MTDATA software. As a first step, it was necessary to provide thermodynamic models for the three associated binary systems. Owing to a lack of thermodynamic information for these systems, the binary assessments were based on phase diagrams available in the literature. Using recent experimental phase equilibria data for the ternary system, a preliminary assessment of the Cr-Pt-Ru system has been produced. In this preliminary assessment, simplified models were employed for the L12 and sigma phases with a view to extending the descriptions as new experimental information becomes available.