Machine learning in metal-ion battery research: Advancing material prediction, characterization, and status evaluation

Metal-ion batteries(MIBs),including alkali metal-ion(Li^(+),Na^(+),and K^(3)),multi-valent metal-ion(Zn^(2+),Mg^(2+),and Al^(3+)),metal-air,and metal-sulfur batteries,play an indispensable role in electrochemical energy storage.However,the performance of MIBs is significantly influenced by numerous variables,resulting in multi-dimensional and long-term challenges in the field of battery research and performance enhancement.Machine learning(ML),with its capability to solve intricate tasks and perform robust data processing,is now catalyzing a revolutionary transformation in the development of MIB materials and devices.In this review,we summarize the utilization of ML algorithms that have expedited research on MIBs over the past five years.We present an extensive overview of existing algorithms,elucidating their details,advantages,and limitations in various applications,which encompass electrode screening,material property prediction,electrolyte formulation design,electrode material characterization,manufacturing parameter optimization,and real-time battery status monitoring.Finally,we propose potential solutions and future directions for the application of ML in advancing MIB development.

Magnetic and magnetocaloric effect of Er_(20)Ho_(20)Dy_(20)Cu_(20)Ni_(20)high-entropy metallic glass

Er_(20)Ho_(20)Dy_(20)Cu_(20)Ni_(20)high-entropy metallic glass exhibited excellent magnetic refrigeration material with a wide temperature range and high refrigeration capacity(RC)was reported.Er_(20)Ho_(20)Dy_(20)Cu_(20)Ni_(20)high-entropy metallic glass was observed with typical spin glass behavior around 15.5 K.In addition,we find that the magnetic entropy change(-△S_(M))originates from the sample undergoing a ferromagnetic(FM)to paramagnetic(PM)transition around 20 K.Under a field change from 0 T to 7 T,the value of maximum magnetic entropy change(-△S_(M)^(max))reaches 12.5 J/kg·K,and the corresponding value of RC reaches 487.7 J/kg in the temperature range from 6 K to 60 K.The large RC and wide temperature range make the Er_(20)Ho_(20)Dy_(20)Cu_(20)Ni_(20)high-entropy metallic glass be a promising material for application in magnetic refrigerators.

Effect of microalloying on wettability and interface characteristics of Zr-based bulk metallic glasses with W substrate

The infiltration casting method is widely employed for the preparation of ex-situ composite materials.However,the production of composite materials using this method must necessitates a comprehensive understanding of the wettability and interface characteristics between the reinforcing phase and the bulk metallic glasses(BMGs).This work optimized the composition of Zr-based BMGs through microalloying methods,resulting in a new set of Zr-based BMGs with excellent glass-forming ability.Wetting experiments between the Zr-based BMGs melts and W substrates were conducted using the traditional sessile drop method,and the interfaces were characterized utilizing a scanning electron microscope(SEM)equipped with energy dispersive X-ray spectroscopy(EDS).The work demonstrates that the microalloying method substantially enhances the wettability of the Zr-based BMGs melt.Additionally,the incorporation of Nb element impedes the formation of W-Zr phases,but the introduction of Nb element does not alter the extent of interdiffusion between the constituent elements of the amorphous matrix and W element,indicating that the influence of Nb element on the diffusion of individual elements is minute.

Friction and Wear Behaviors of Nanostructured Metals

Nanostructured （ns） materials, i.e., polycrystalline materials with grain sizes in the nanometer regime （typically below 100 nm）, have drawn considerable attention in the past decades due to their unique properties such as high strength and hardness. Wear resistance of ns materials, one of the most important properties for engineering materials, has been extensively investigated in the past decades. Obvious differences have been identified in friction and wear behaviors Between the ns materials and their corresponding coarse-grained （cg） counterparts, consistently correlating with their unique structure characteristics and mechanical properties. On the other hand, the superior tribological properties of ns materials illustrate their potential applications under contact loads. The present overview will summarize the important progresses achieved on friction and wear behaviors of ns metallic materials, including ultrafine-grained （ufg） materials in recent years. Tribological properties and effects on friction and wear behaviors of ns materials will be discussed under different wear conditions including abrasive wear, sliding wear, and fretting wear. Their correlations with mechanical properties will be analyzed. Perspectives on development of this field will be highlighted as well.

Crystallization Behaviour and Mechanical Properties of Zr_(65)Cu_(18)Ni_9Al_8 Bulk Metallic Glass

Designing and synthesis of cost effective bulk metallic glasses （BMGs） has been of considerable interest during the last decade so that they can be made commercially viable. Among these, Zr-based BMGs have been reported extensively due to their attractive properties, An alloy having composition Zr65Cu18Ni9A18 was designed and synthesized using 2-3 N pure materials by Cu mould casting. The alloy was characterized by X- ray diffraction （XRD）, scanning electron microscopy （SEM）, energy dispersive X-ray spectroscopy （EDS） and high temperature differential scanning calorimetry （DSC）. Thermal parameters like supercooled liquid region △Tx, reduced glass transition temperature Trg, γ and δ parameters were evaluated. Mechanical properties like microhardness, nanohardness, elastic modulus and fracture strength were measured. The alloy showed wide supercooled liquid region of 129＋1 K with improved thermal stability. The alloy has considerable fracture strength along with fair amount of ductility.

Progress of Microgravity Material Research During the Period of 2007-2009

Orbital experimental researches on crystal growth of Mn-doped GaSb and Bi2Se0.21Te2.79 are briefly summarized.The space experiments were completed in September of 2007 on broad the Foton-M3 satellite of Russia.Ground-based researches on the solidification behaviors of Al-Al3Ni,AlAl2Cu,Ag-Cu eutectic,Al-Pb monotectic and Cu-Co peritectic alloys in a 50-meter-high drop tube were investigated.New experimental results on the ultrasonic field and the temperature recycling induced to chiral symmetry breaking of NaClO3 crystal also were reported in the present paper.

Mechanical Properties,Damage and Fracture Mechanisms of Bulk Metallic Glass Materials

The deformation, damage, fracture, plasticity and melting phenomenon induced by shear fracture were investigated and summarized for Zr-, Cu-, Ti- and Mg-based bulk metallic glasses （BMGs） and their composites. The shear fracture angles of these BMG materials often display obvious differences under compression and tension, and follow either the Mohr-Coulomb criterion or the unified tensile fracture criterion. The compressive plasticity of the composites is always higher than the tensile plasticity, leading to a significant inconsistency. The enhanced plasticity of BMG composites containing ductile dendrites compared to monolithic glasses strongly depends on the details of the microstructure of the composites. A deformation and damage mechanism of pseudo-plasticity, related to local cracking, is proposed to explain the inconsistency of plastic deformation under tension and compression. Besides, significant melting on the shear fracture surfaces was observed. It is suggested that melting is a common phenomenon in these materials with high strength and high elastic energy, as it is typical for BMGs and their composites failing under shear fracture. The melting mechanism can be explained by a combined effect of a significant temperature rise in the shear bands and the instantaneous release of the large amount of elastic energy stored in the material.

Fatigue of metals at nanoscale: Metal thin films and conductive interconnects for flexible device application

As electrodes and electrical interconnects in flexible electronic devices,metal films are one of the weakest components in the system against mechanical deformation in daily use.Fatigue reliability at nanoscale becomes a practical concern for these flexible electronic devices.This review introduces state-of-the-art fatigue testing techniques and evaluation methods for thin metal films and conductive interconnect materials constrained by a substrate.Then,experimental results about fatigue damage behaviors,fatigue properties and fatigue life prediction are summarized.Furthermore,fundamental insights into fatigue mechanisms of metals at the nanoscale and the size effects on fatigue properties are elucidated.Finally,the perspectives of studies on fatigue of thin metal films constrained by a substrate are proposed.

Density Measurement of Liquid Metals Using Dilatometer

The dilatometer method for density measurement of liquid metals was improved to give a high measurement accuracy with simple operation. The density of liquid tin was measured and the results are in agreement with values in literature. The melting point density of liquid Sn was measured to be 6.966×10^3 Kg·m^-3 and the temperature （T） dependence of the density （p） for liquid Sn can be well described by a polynomial equation p（T）=7.406 - 9.94 × 10^-4T ＋ 2.12 × 106-7T2.

Preparation of carbon nanotube composite material with metal matrix by electroplating

It is demonstrated that the nickel can be deposited directly on the surface of carbon nanotubes without pre-sensitization by Sn 2+ and Pd 2+ in a watt bath containing suspended nanotubes by electroplating. The nickel is deposited as spherical nanoparticle on the nanotubes. By increasing reaction time, the carbon nanotube is fully coated with nickel. A probable model, which represents the formation process of carbon nanotube-nickel composites by electroplating, is presented. The results show that this method is efficient and simple for preparing carbon nanotube-metal composite.

Recent progress of carbon-based metal-free materials in thermal-driven catalysis

The carbon-based metal-free materials as catalysts(named as carbocatalysts) have been attracting tremendous attentions in electric-,solar-and thermal-driven reactions nowadays.Compared to electrocatalysis and photocatalysis,the thermal-driven catalysis(thermocatalysis) including liquid phase and gas phase reactions involves wider scope and is relatively easy to realize practical large-scale applications.Over the past several years,some striking achievements on the design of new carbon-based metal-free materials with well-defined structures and heteroatom groups as well as the revelation of new reaction mechanisms and active sites in thermocatalysis have been obtained.However,comparative discussions regarding these recent achievements have been rarely highlighted.In this review,we systematically summarize and discuss six kinds of carbocatalysts and their applications in thermocatalysis.These materials include typical oxygen-attached carbon,surface modified carbon(graft with certain organic compounds),mono-doped carbon,co-doped carbon,carbon nitride and materials with carbon as dopant.Some new reaction processes as well as the related reaction mechanisms,active sites and intermediates are reviewed critically.Moreover,an outlook on the in-depth investigation of the metalfree carbocatalysis in the future is provided.

Finite element polycrystal model simulation of cold rolling textures in deformation processed two-phase Nb/Al metal-metal composites

The finite element polycrystal model (FEPM) was extended and applied to simulate the development of the cold rolling textures of matrix aluminum in deformation processed two-phase 10% and 20%Nb/Al(in volume fraction) metal-metal composites on the basis of slip deformation of individual grains. This simulation method can assure the continuity of stress and displacement at the boundary during heterogeneous deformation and take arbitrary boundary conditions into consideration. The starting hot-extruded textures, as initial input condition, were taken into account in the FEPM simulation. The simulation results show that the main texture components and their evolution after various cold rolling reductions in 10% and 20%Nb/Al metal-metal composites are well qualitatively in agreement with the experimental ones. The initially extruded textures are rather weak, so they have no much influence on the simulated final cold rolling textures of the matrix aluminum for Nb/Al composites.

Effects of B and Ti on the Toughness of HSLA Steel Weld Metals

Effects of microalloying Ti and B on the microstructures and low temperature toughness of manual metal arc (MMA) deposits were investi- gated.Weld metals containing 200-300 ppm Ti and 29-60 ppm B deposited by manual coated elec- trodes provided an optimum low temperature toughness.The addition of B in weld metals low- ered the γ→α transformation temperature which promoted the acicular ferrite (AF) transformation. Solid solutioned B suppressed grain boundary ferrite as well as side plate ferrite formation and benefited the acicular ferrite formation.Titanium protected B from oxidizing as well as nitriding and formed Ti-Mn silicate inclusions.Ultra-high volt- age electron microscope analyses showed that TiO structure in the Ti-Mn silicate inclusions was the favorable nucleation site for acicular ferrite forma- tion.

Structural, elastic, and electronic properties of topological semimetal WC-type MX family by first-principles calculation

Recently, the non-centrosymmetric WC-type materials(i.e., MoP, ZrTe, TaN, etc) have attracted extensive interest due to the discovery of their topological properties.By means of the first-principles calculations, here we have investigated the structural, thermodynamic, elastic, and electronic properties of the WC-type MX compounds(TiS, TiSe, TiTe, ZrS, ZrSe,ZrTe, HfS, HfSe, and HfTe).Among these nine compounds, five of them(TiS, ZrS, ZrSe0.9, ZrTe, and Hf0.92 Se) have been experimentally synthesized to crystallize in the WC-type structure and other four members have never been reported.Our calculations demonstrated that they are all structurally, thermodynamically, and dynamically stable, indicating that all of them should be possibly synthesized.We have also derived their elastic constants of single crystalline and their bulk and shear moduli in terms of the R.Hill approximations.Furthermore, in similarity to ZrTe, all these compounds have been theoretically derived to be topological semimetals.Whereas TiS is unique because of the coexistence of the Dirac nodal lines(DNLs) and sixfold degenerate nodal points(sixfold DNPs), the other eight members are revealed to exhibit coexisted Weyl nodes(WPs) and triply degenerate nodal points(TDNPs).Their electronic and topological properties have been further discussed.

Deformation behavior and microstructure of NiAl-Cr(Mo) alloy by powder metallurgical technique

NiAl-28Cr-6Mo alloy was prepared by hot-pressing (HP) the atomized prealloyed powders. The results show that the powders have uniformly refined size and small interlamellar spacing; the porosity is the main defect in the powder metallurgy (PM) alloy, the Cr(Mo) phase in the alloy is easy to segregate to form network in the interior of the original powders and blocks at the boundaries of the original powders during the HP processing; the PM alloy exhibits a high-level combination of fracture toughness and tensile strength, whereas the creep resistance of the PM alloy is degraded.

Kinetics Investigation of Sintering of Nanometer Size Metal Clusters:A Molecular Dynamics Study

The sintering process of nanometer size gold clusters is investigated by using molecular dynamics simulation in the frame of embedded atomistic method. Several molecular dynamics simulation techniques are used to observe and describe the evolution of the sintering process. The energy distribution for single cluster is examined and the snapshots of sintering process of two clusters are recorded. The evolution of sintering is also described by plotting the mass center changes with time for each cluster. The variations of kinetic and potential energy during the process of sintering are monitored and measured to analyze the dominant mechanisms of sintering from the energy point of view.

Research progress on preparation technology of oxide dispersion strengthened steel for nuclear energy

Nuclear energy is a low-carbon,safe,efficient,and sustainable clean energy.The new generation of nuclear energy systems operate in harsher environments under higher working temperatures and irradiation doses,while traditional nuclear power materials cannot meet the requirements.The development of high-performance nuclear power materials is a key factor for promoting the development of nuclear energy.Oxide dispersion strengthened(ODS)steel contains a high number density of dispersed nano-oxides and defect sinks and exhibits excellent high temperature creep performance and irradiation swelling resistance.Therefore,ODS steel has been considered as one of the most promising candidate materials for fourth-generation nuclear fission reactor cladding tubes and nuclear fusion reactor blankets.The preparation process significantly influences microstructure of ODS steel.This paper reviews the development and perspective of several preparation processes of ODS steel,including the powder metallurgy process,improved powder metallurgy process,liquid metal forming process,hybrid process,and additive forging.This paper also summarizes and analyzes the relationship between microstructures and the preparation process.After comprehensive consideration,the powder metallurgy process is still the best preparation process for ODS steel.Combining the advantages and disadvantages of the above preparation processes,the trend applied additive forging for extreme manufacturing of large ODS steel components is discussed with the goal of providing a reference for the application and development of ODS steel in nuclear energy.

Synergistic effect of polyoxometalate solution and TiO_2 under UV irradiation to catalyze formic acid degradation and their application in the fuel cell and hydrogen evolution

The synergistic effect of H_3PMo_(12)O_(40) or H_3PW_(12)O_(40) polyoxometalate solution(POM) and TiO_2 to catalyze formic acid oxidation was investigated. Under UV irradiation, hole and electron were photogenerated by TiO_2. Formic acid was oxided by the photogenerated hole and photogenerated electron was transferred to reduce polyoxometalate. With this design, formic acid can be converted into electricity in the fuel cell and hydrogen can be generated in the electrolysis cell without noble metal catalyst. Unlike other noble metal catalysts applied in the fuel cells and electrolysis cell, POM and TiO_2 are stable and low cost. The maximum output power density of liquid formic acid fuel cell after 12 h UV irradiation is 5.21 mW/cm^2 for phosphmolybdic acid and 22.81 m W/cm^2 for phosphotungstic acid respectively. The applied potential for the hydrogen evolution is as low as 0.8 V for phosphmolybdic acid and 0.6 V for phosphotungstic acid.

Additive manufacturing of sodalite monolith for continuous heavy metal removal from water sources

Herein,we present a simple strategy for preparing monolithic sodalite adsorbents via sequential additive manufacturing and post-treatments.In detail,the method includes(i)3D printing of cylindrical monoliths using clay as the base material;(ii)thermal activation of the 3D-printed clay monoliths by calcination(to produce reactive alumina and silica species and enable mechanical stabilization);(iii)conversion of the activated clay monoliths to hierarchical porous sodalite monoliths via hydrothermal alkaline treatment.Parametric studies on the effect of calcination temperature,alkaline concentration and hydrothermal treatment time on the property of the resulting materials(such as phase composition and morphology)at different stages of preparation was conducted.Under the optimal conditions(i.e.,calcination temperature of 850℃,NaOH concentration of 3.3 mol·L^(-1),reaction temperature of 150℃,and reaction time of 6 h),a high-quality pure sodalite monolith was obtained,which possesses a relatively high BET surface area(58 m^(2)·g^(-1))and hierarchically micro-meso-macroporous structure.In the proposed application of continuous removal of heavy metals(chromium ion as the model)from wastewater,the developed 3D-printed sodalite monolith showed excellent Cr^(3+)removal performance and fast kinetics(~98%removal efficiency within 25 cycles),which outperformed the packed bed using sodalite pellets(made by extrusion).

Overview of the Research and Development for Reduced Activation Ferritic/Martensitic Steel CLF-1

Recent accomplishment by the SWIP for the reduced activation ferritic/martensitic steel CLF-1 development has been reviewed. It＇s found that CLF- 1 steel has better room temperature tensile properties than Eurofer97 steel and has a fully martensitic microstructure.