Composition Optimization and Microstructure Design in MOFs-Derived Magnetic Carbon-Based Microwave Absorbers:A Review

Magnetic carbon-based composites are the most attractive candidates for electromagnetic(EM)absorption because they can terminate the propagation of surplus EM waves in space by interacting with both electric and magnetic branches.Metal-organic frameworks(MOFs)have demonstrated their great potential as sacrificing precursors of magnetic metals/carbon composites,because they provide a good platform to achieve high dispersion of magnetic nanoparticles in carbon matrix.Nevertheless,the chemical composition and microstructure of these composites are always highly dependent on their precursors and cannot promise an optimal EM state favorable for EM absorption,which more or less discount the superiority of MOFs-derived strategy.It is hence of great importance to develop some accompanied methods that can regulate EM properties of MOFs-derived magnetic carbon-based composites e ectively.This review comprehensively introduces recent advancements on EM absorption enhancement in MOFs-derived magnetic carbon-based composites and some available strategies therein.In addition,some challenges and prospects are also proposed to indicate the pending issues on performance breakthrough and mechanism exploration in the related field.

Deep Reinforcement Learning for Multi-Phase Microstructure Design

This paper presents a de-novo computational design method driven by deep reinforcement learning to achieve reliable predictions and optimum properties for periodic microstructures.With recent developments in 3-D printing,microstructures can have complex geometries and material phases fabricated to achieve targeted mechanical performance.These material property enhancements are promising in improving the mechanical,thermal,and dynamic performance in multiple engineering systems,ranging from energy harvesting applications to spacecraft components.The study investigates a novel and efficient computational framework that integrates deep reinforcement learning algorithms into finite element-based material simulations to quantitatively model and design 3-D printed periodic microstructures.These algorithms focus on improving the mechanical and thermal performance of engineering components by optimizing a microstructural architecture to meet different design requirements.Additionally,the machine learning solutions demonstrated equivalent results to the physics-based simulations while significantly improving the computational time efficiency.The outcomes of the project show promise to the automation of the design and manufacturing of microstructures to enable their fabrication in large quantities with the utilization of the 3-D printing technology.

A MICROMECHANICS ANALYSIS FOR THE MICROSTRUCTURE DESIGN OF A TWO-PHASE PSEUDOELASTIC COMPOSITE

A micromechanics analysis on the possibility of designing a two-phase pseudoelastic composite is made for the case where ductile transformable shape mem- ory alloy plastic particles are imbedded coherently in an elastic matrix. It is demon- strated that a pseudoelastic stress-strain loop in a macroscopic loading-unloading cy- cle can be obtained by microscopically stress induced forward and reverse martensitic transformations in the SMA particles. The relation between the macroscopic stress- strain response and the material parameters of the constituents of this composite is quantified through the micromechanics calculations, which reveals that the best duc- tility and thus the greatest energy absorption capacity of this novel microstructure can be obtained by the optimum material design.

A LEVEL SET METHOD FOR MICROSTRUCTURE DESIGN OF COMPOSITE MATERIALS

Based on a level set model and the homogenization theory, an optimization al- gorithm for ?nding the optimal con?guration of the microstructure with speci?ed properties is proposed, which extends current research on the level set method for structure topology opti- mization. The method proposed employs a level set model to implicitly describe the material interfaces of the microstructure and a Hamilton-Jacobi equation to continuously evolve the ma- terial interfaces until an optimal design is achieved. Meanwhile, the moving velocities of level set are obtained by conducting sensitivity analysis and gradient projection. Besides, how to handle the violated constraints is also discussed in the level set method for topological optimization, and a return-mapping algorithm is constructed. Numerical examples show that the method exhibits outstanding ?exibility of handling topological changes and ?delity of material interface represen- tation as compared with other conventional methods in literatures.

Layered oxide cathodes for sodium-ion batteries:microstructure design,local chemistry and structural unit

Because of the low price and abundant reserves of sodium compared with lithium,the research of sodium-ion batteries(SIBs)in the field of large-scale energy storage has returned to the research spotlight.Layered oxides distinguish themselves from the mains cathode materials of SIBs owing to their advantages such as high specific capacity,simple synthesis route,and environmental benignity.However,the commercial development of the layered oxides is limited by sluggish kinetics,complex phase transition and poor air stability.Based on the research ideas from macro-to micro-scale,this review systematically summarizes the current optimization strategies of sodium-ion layered oxide cathodes(SLOC)from different dimensions:microstructure design,local chemistry regulation and structural unit construction.In the dimension of microstructure design,the various structures such as the microspheres,nanoplates,nanowires and exposed active facets are prepared to improve the slow kinetics and electrochemical performance.Besides,from the view of local chemistry regulation by chemical element substitution,the intrinsic electron/ion properties of SLOC have been enhanced to strengthen the structural stability.Furthermore,the optimization idea of endeavors to regulate the physical and chemical properties of cathode materials essentially is put forward from the dimension of structural unit construction.The opinions and strategies proposed in this review will provide some inspirations for the design of new SLOC in the future.

Topology Optimization of Metamaterial Microstructures for Negative Poisson’s Ratio under Large Deformation Using a Gradient-Free Method

Negative Poisson’s ratio(NPR)metamaterials are attractive for their unique mechanical behaviors and potential applications in deformation control and energy absorption.However,when subjected to significant stretching,NPR metamaterials designed under small strain assumption may experience a rapid degradation in NPR performance.To address this issue,this study aims to design metamaterials maintaining a targeted NPR under large deformation by taking advantage of the geometry nonlinearity mechanism.A representative periodic unit cell is modeled considering geometry nonlinearity,and its topology is designed using a gradient-free method.The unit cell microstructural topologies are described with the material-field series-expansion(MFSE)method.The MFSE method assumes spatial correlation of the material distribution,which greatly reduces the number of required design variables.To conveniently design metamaterials with desired NPR under large deformation,we propose a two-stage gradient-free metamaterial topology optimization method,which fully takes advantage of the dimension reduction benefits of the MFSE method and the Kriging surrogate model technique.Initially,we use homogenization to find a preliminary NPR design under a small deformation assumption.In the second stage,we begin with this preliminary design and minimize deviations in NPR from a targeted value under large deformation.Using this strategy and solution technique,we successfully obtain a group of NPR metamaterials that can sustain different desired NPRs in the range of[−0.8,−0.1]under uniaxial stretching up to 20% strain.Furthermore,typical microstructure designs are fabricated and tested through experiments.The experimental results show good consistency with our numerical results,demonstrating the effectiveness of the present gradientfree NPR metamaterial design strategy.

Topology Optimal Design of Material Microstructures Using Strain Energy-based Method

Sensitivity analysis and topology optimization of microstructures using strain energy-based method is presented. Compared with homogenization method, the strain energy-based method has advantages of higher computing efficiency and simplified programming. Both the dual convex programming method and perimeter constraint scheme are used to optimize the 2D and 3D microstructures. Numerical results indicate that the strain energy-based method has the same effectiveness as that of homogenization method for orthotropic materials.

Materials Design of Microstructure in Grain Boundary and Second Phase Particles

A concept of microstructure design for materials or materials microstructure engineering is proposed. The argument was suggested based on literature review and. some our new research work on second phase strengthening mechanisms and mechanical property modeling of a particulate reinforced metal matrix composite. Due to development of computer technology, it is possible now for us to establish the relationship between microstructures and properties systematically and quantitatively by analytical and numerical modeling in the research scope of computerization materials. Discussions and examples on intellectual optimization of microstructure are presented on two aspects: grain boundary engineering and optimal geometry of particulate reinforcements in two-phase materials.

Applied Strain Field on Microstructure Optimization of Ti-Al-Nb Alloy Computer Simulated by Phase Field Approach

The effects of applied tensile strain on the coherent α_2→O-phase transformation in Ti-Al-Nb alloys are explored bycomputer simulation using a phase-field method. The focus is on the influence of the applied strain direction onthe microstructure and volume fraction of the O-phase precipitates. It is found that altering applied strain directioncan modify microstructure of Ti-25Al-10～12Nb (at. pct) alloy during α_2→O-phase transformation effectively andfull laminate microstructure in the Ti-25Al-10Nb (at. pct) alloy can be realized by an applied strain only along thedirection 30°away from the α_2 phase <1010> in magnitude equivalent to the stress-free transformation strain. Thesimulation also shows that not only the magnitude of applied strain but also the applied strain direction influencesthe O-phase volume fraction and the effect of strain direction on the volume fraction is up to 25%.

Design of elliptical underwater acoustic cloak with truss-latticed pentamode materials

Pentamode acoustic cloak is promising for underwater sound control due to its solid nature and broadband efficiency,however its realization is only limited to simple cylindrical shape.In this work,we established a set of techniques for the microstructure design of elliptical pentamode acoustic cloak based on truss lattice model,including the inverse design of unit cell and algorithms for latticed cloak assembly.The designed cloak was numerically validated by the well wave concealing performance.The work proves that more general pentamode acoustic wave devices beyond simple cylindrical geometry are theoretically feasible,and sheds light on more practical design for waterborne sound manipulation.

Alloy Design of Gamma(TiAl)Alloys

Unbalanced properties for both fine-grained gamma and coarse-grained lamellar microstructures typically produced in gamma alloys are described. Efforts for the improvements are reviewed along with some experimental results. Empirical improvements have been made in cast alloys, which have led gamma alloys to a viable materials technology and to the development of various application areas for gas turbine engines as well as automotive engines. Efforts to understand fundamental and applied aspects leading to the improvements are assessed for wrought alloys. Optimization of microstructures through process control,innovative heat treatments, alloy chemistry modification and their combinations have progressed in the endeavor. Similar efforts have just begun for cast alloys where work on fundamental understanding has been lagging. Future directions are suggested for further improvements and predicted for the development of higher temperature/performance alloys.

INTERMETALLICS AS SUBSTITUTES FOR SUPERALLOYS

The application advances of TiAl, Ti3Al and Ni3Al base aUoys were denumstrated by Central Iron and Steel Research Institute, China. The recent research progresses on improving the reliability of cast TiAI were mainly presented and discussed. The characteristics of the self-oriented lamellar microstructure in cast TiAI were investigated in both as cast and as HlPed states. Based on the mechanical anisotropy of the cast lamellar microstructure, the component specific microstrueture design was proposed for a better performance and reliability of cast TiAl.

A novel design for broadband dispersion compensation microstructure fiber

A novel microstructure fiber （MF） structure is proposed for broadband dispersion compensation. Through manipulating the four air-hole parameters and the pitch, the broad band dispersion compensation MF can be efficiently designed. The newly designed MF could compensate （to within 0.8%） the dispersion of 101 times of its length of standard single mode fiber over the entire 100-nm band centered on 1550 nm. The proposed design has been simulated through the finite difference beam propagation method, and the corresponding design procedures are also presented. OCIS codes： 060.2310, 060.2280.

Hierarchical microstructure and two-stage corrosion behavior of a high-performance near-eutectic Zn-Li alloy

In order to improve mechanical and corrosion properties of biodegradable pure Zn,a knowledge-based microstructure design is performed on Zn-Li alloy system composed of hard β-LiZn_(4) and soft Zn phases.Precipitation and multi-modal grain structure are designed to toughen β-LiZn_(4) while strengthen Zn,resulting in high strength and high ductility for both the phases.Needle-like secondary Zn precipitates form in β-LiZn4,while fine-scale networks of string-like β-LiZn4 precipitates form in Zn with a tri-modal grain structure.As a result,near-eutectic Zn-0.48 Li alloy with an outstanding combination of high strength and high ductility has been fabricated through hot-warm rolling,a novel fabrication process to realize the microstructure design.The as-rolled alloy has yield strength(YS) of 246 MPa,the ultimate tensile strength(UTS) of 395 MPa and elongation to failure(EL) of 47 %.Immersion test in simulated body fluid(SBF) for 30 days reveals that Li-rich products form preferentially at initial stage,followed by Zn-rich products with prolonged time.Aqueous insoluble Li_(2) CO_(3) forms a protective passivation film on the alloy surface,which suppresses the average corrosion rate from 81.2 μm/year at day one down dramatically to 18.2 μm/year at day five.Afterwards,the average corrosion rate increases slightly with decrease of Li2 CO_(3) content,which undulates around the clinical requirements on corrosion resistance(i.e.,20 μm/year) claimed for biodegradable metal stents.

Nanocellulose-assisted preparation of electromagnetic interference shielding materials with diversified microstructure

Sustainable and renewable nanocellulose attracts more and more attention in various fields due to its high strength-to-weight ratio,small diameter,large aspect ratio,and abundant functional groups.The excellent properties and structural characteristics enabled a great potential of nanocellulose for efficient interactions with functional nanomaterials such as carbon nanotube,graphene,transition metal carbides/nitrides(MXenes),and metal nanoparticles,which is beneficial for preparing high-performance electromagnetic interference(EMI)shields.We review the advances in the nanocelluloseassisted preparation of composite films and aerogels for EMI shielding application.The nanocellulose-based composites are evaluated in terms of their EMI shielding performance and the shielding mechanisms,including conduction,polarization,and multiple reflections are summarized.In addition to the constituent structure and contents,we highlight the significance of the microstructure design in enhancing the EMI shielding performance of the nanocellulose-based EMI shields.Finally,the current challenges and outlook for these fascinating nanocellulose-based EMI shielding composites are discussed.

Computational design of structured chemical products

In chemical product design,the aim is to formulate a product with desired performance.Ingredients and internal product structure are two key drivers of product performance with direct impact on the mechanical,electrical,and thermal properties.Thus,there is a keen interest in elucidating the dependence of product performance on ingredients,structure,and the manufacturing process to form the structure.Design of product structure,particularly microstructure,is an intrinsically complex problem that involves different phases of different physicochemical properties,mass fraction,morphology,size distribution,and interconnectivity.Recently,computational methods have emerged that assist systematic microstructure quantification and prediction.The objective of this paper is to review these computational methods and to show how these methods as well as other developments in product design can work seamlessly in a proposed performance,ingredients,structure,and manufacturing process framework for the design of structured chemical products.It begins with the desired target properties and key ingredients.This is followed by computation for microstructure and then selection of processing steps to realize this microstructure.The framework is illustrated with the design of nanodielectric and die attach adhesive products.

Effect of Niobium on Microstructure and Properties of the CoCrFeNb_xNi High Entropy Alloys

A series of CoCrFeNb_xNi（x values in molar ratio, x = 0, 0.25, 0.45, 0.5, 0.75, 1.0 and 1.2） high entropy alloys（HEAs） was prepared to investigate the alloying effect of Nb on the microstructures and mechanical properties. The results indicate that the prepared CoCrFeNb_xNi（x 〉 0） HEAs consist of a simple FCC solid solution phase and a Laves phase. The microstructures of the alloys change from an initial single-phase FCC solid solution structure（x = 0） to a hypoeutectic microstructure（x = 0.25）, then to a full eutectic microstructure（x = 0.45） and finally to a hypereutectic microstructure（0.5 〈 x 〈 1.2）. The compressive test results show that the Nb0.45（x = 0.45） alloy with a full eutectic microstructure possesses the highest compressive fracture strength of 2558 MPa and a fracture strain of 27.9%. The CoCrFeNi alloy exhibits an excellent compressive ductility, which can reach 50% height reduction without fracture. The Nb0.25 alloy with a hypoeutectic structure exhibits a larger plastic strain of 34.8%. With the increase of Nb content, increased hard/brittle Laves phase leads to a decrease of the plasticity and increases of the Vickers hardness and the wear resistance. The wear mass loss, width and depth of wear scar of the Nb1.2（x = 1.2） alloy with a hypereutectic structure are the lowest among all alloy systems, indicating that the wear resistance of the Nb1.2 alloy is the best one.

Effects of La_(2)O_(3) addition on microstructure development and physical properties of harder ZTA-CeO_(2) composites with sustainable high fracture toughness

The influence of La_(2)O_(3) inclusion(0-3 wt%) on the micro structure,phase formation and mechanical properties of zirconia toughed alumina(ZTA) added with 5.0 wt% CeO_(2) was investigated.ZTA CeO_(2) composites were sintered at 1600℃ for 4 h.The microstructure,phase formation,density,fracture toughness and hardness properties were characterised through FESEM,Microscopy Image Analysis Software and XRD diffractometer,Archimedes principle and Vickers indentation technique,respectively.The XRD,image processing and FESEM reveal the existence of LaAl_(11)O_(18).The addition of La_(2)O_(3) incites the sintering,microstructure refinement,densification of ZTA-CeO_(2) matrix and phase transformation.Hence,the hardness of ZTA-CeO_(2) ceramics is increased rapidly based on refinement of Al_(2)O_(3) grains,densification of ZTA-CeO_(2) composites and porosity reduction.It is observed that the fracture toughness is enhanced through in situ formation of elongated LaAl_(11)O_(18) grains.The addition of 0.7 wt% La_(2)O_(3) culminated in the achievement of the optimum findings for density(4.41 g/cm^(3)),porosity(0.46%),hardness(1792 HV) and fracture toughness(8.8 MPa·m^(1/2)).Nevertheless,excess La_(2)O_(3) is proven to be detrimental as it displays poor mechanical properties due to the poor compactness of numerous LaAl_(11)O_(18) grains,coarsening of Al_(2)O_(3) grains and decline in density.

Microstructural design in LaCe misch-metal substituted 2:14:1-type sintered magnets by dual-alloy method

LaCe-based sintered magnets with different microstructural features and distinct rare earth elemental distribution were designed by dual-alloy method.The sample prepared by fine LaCe-containing powder and coarse LaCe-free powder possesses higher remanence(~13.41 kGs),whereas another sample prepared by fine LaCe-free powder and coarse LaCe-containing powder possesses higher coercivity(~5.67 kOe).Additionally,these samples are with the same nominal compositions and their elemental distribution features are obviously different in matrix grains respectively.Their remanence difference is mainly affected by the saturation magnetization difference caused by the distribution variation of the rare earth elements at the matrix phase.The coercivity difference is affected by the component of the grain boundary phase between the adjacent grains and the distribution variation of the rare earth elements at the matrix phase.These findings may provide a new prospect for the utilization of LaCe mischmetal in 2:14:1-type permanent magnets.

1D/2D CoTe_(2)@MoS_(2)composites constructed by CoTe_(2)nanorods and MoS_(2)nanosheets for efficient electromagnetic wave absorption

Rational design of the components and microstructure is regarded as an efficacious strategy for the high-performance electromagnetic wave absorbing(EMWA)materials.Herein,the CoTe_(2)@MoS_(2)nanocomposites with CoTe_(2)nanorods and MoS_(2)nanosheets were synthesized via a hydrothermal method.The microstructure and composition of the samples were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),energy dispersive X-ray spectroscopy(EDS),transmission electron microscopy(TEM),and X-ray photoelectron spectroscopy(XPS).The CoTe_(2)@MoS_(2)composite was composed of stacked CoTe_(2)as the core and intertwined MoS_(2)nanosheets as the shell.The electromagnetic parameters of the CoTe_(2)@MoS_(2)composites were investigated by vector network analyzer(VNA).The EMWA property of the composite showed a trend of first increasing and then decreasing with the increasing content of MoS_(2).When the mass ratio of MoS_(2)and CoTe_(2)was 1:1,the CoTe_(2)@MoS_(2)composite exhibited the minimum reflection loss value of-68.10 dB at 4.71 GHz,and the effective absorption bandwidth value might reach 4.64 GHz(13.08-17.72 GHz)at a matching thickness of 1.60 mm with filler loading of 50 wt.%.The extraordinary EMWA property was attributed to the optimized impedance matching,multiple scattering and reflections,dipole polarization,conductive loss,and interfacial polarization.Therefore,the present approach to the design of microstructure and interface engineering offers a crucial way to construct high-performance EMW absorbers.