Design Principles and Mechanistic Understandings of Non-Noble-Metal Bifunctional Electrocatalysts for Zinc-Air Batteries

Zinc-air batteries(ZABs)are promising energy storage systems because of high theoretical energy density,safety,low cost,and abundance of zinc.However,the slow multi-step reaction of oxygen and heavy reliance on noble-metal catalysts hinder the practical applications of ZABs.Therefore,feasible and advanced non-noble-metal elec-trocatalysts for air cathodes need to be identified to promote the oxygen catalytic reaction.In this review,we initially introduced the advancement of ZABs in the past two decades and provided an overview of key developments in this field.Then,we discussed the work-ing mechanism and the design of bifunctional electrocatalysts from the perspective of morphology design,crystal structure tuning,interface strategy,and atomic engineering.We also included theoretical studies,machine learning,and advanced characterization technologies to provide a comprehensive understanding of the structure-performance relationship of electrocatalysts and the reaction pathways of the oxygen redox reactions.Finally,we discussed the challenges and prospects related to designing advanced non-noble-metal bifunctional electrocatalysts for ZABs.

Deep Insight of Design,Mechanism,and Cancer Theranostic Strategy of Nanozymes

Since the discovery of enzyme-like activity of Fe3O4 nanoparticles in 2007,nanozymes are becoming the promising substitutes for natural enzymes due to their advantages of high catalytic activity,low cost,mild reaction conditions,good stability,and suitable for large-scale production.Recently,with the cross fusion of nanomedicine and nanocatalysis,nanozyme-based theranostic strategies attract great attention,since the enzymatic reactions can be triggered in the tumor microenvironment to achieve good curative effect with substrate specificity and low side effects.Thus,various nanozymes have been developed and used for tumor therapy.In this review,more than 270 research articles are discussed systematically to present progress in the past five years.First,the discovery and development of nanozymes are summarized.Second,classification and catalytic mechanism of nanozymes are discussed.Third,activity prediction and rational design of nanozymes are focused by highlighting the methods of density functional theory,machine learning,biomimetic and chemical design.Then,synergistic theranostic strategy of nanozymes are introduced.Finally,current challenges and future prospects of nanozymes used for tumor theranostic are outlined,including selectivity,biosafety,repeatability and stability,in-depth catalytic mechanism,predicting and evaluating activities.

Electrolyte Design for Low‑Temperature Li‑Metal Batteries:Challenges and Prospects

Electrolyte design holds the greatest opportunity for the development of batteries that are capable of sub-zero temperature operation.To get the most energy storage out of the battery at low temperatures,improvements in electrolyte chemistry need to be coupled with optimized electrode materials and tailored electrolyte/electrode interphases.Herein,this review critically outlines electrolytes’limiting factors,including reduced ionic conductivity,large de-solvation energy,sluggish charge transfer,and slow Li-ion transportation across the electrolyte/electrode interphases,which affect the low-temperature performance of Li-metal batteries.Detailed theoretical derivations that explain the explicit influence of temperature on battery performance are presented to deepen understanding.Emerging improvement strategies from the aspects of electrolyte design and electrolyte/electrode interphase engineering are summarized and rigorously compared.Perspectives on future research are proposed to guide the ongoing exploration for better low-temperature Li-metal batteries.

Molecular Mechanism and Molecular Design of Lubricating Oil Antioxidants

To overcome the limitations of traditional experimental“trial and error”methods in lubricant additive design,a new molecular design method based on molecular structure parameters is established here.The molecular mechanism of the antioxidant reaction of hindered phenol,diphenylamine,and alkyl sulfide are studied via molecular simulations.Calculation results show that the strong electron-donating ability and high hydrogen-donating activity of the antioxidant molecule and the low hydrogen-abstracting activity of free radicals formed after dehydrogenation are the internal molecular causes of the shielding of phenol and diphenylamine from scavenging peroxy free radicals,and the strong electron-donating ability is the internal molecular cause of the high activity of thioether in decomposing alkyl hydrogen peroxide.Based on this antioxidant molecular mechanism,a molecular design rule of antioxidant is proposed,namely“high EHOMO,large Q(S),low bond dissociation energy BDE(O—H)and BDE(N—H)”.Two new antioxidants,PAS-I and PAS-II,are designed and prepared by chemical bonding of hindered phenol,diphenylamine,and sulfur atoms.Experimental results show that these antioxidants both have excellent antioxidant effects in lubricating oil,and that PAS-II is the superior antioxidant,consistent with theoretical predictions.

Recent advances in cobalt phosphide-based materials for electrocatalytic water splitting:From catalytic mechanism and synthesis method to optimization design

Electrochemical water splitting has long been considered an effective energy conversion technology for trans-ferring intermittent renewable electricity into hydrogen fuel,and the exploration of cost-effective and high-performance electrocatalysts is crucial in making electrolyzed water technology commercially viable.Cobalt phosphide(Co-P)has emerged as a catalyst of high potential owing to its high catalytic activity and durability in water splitting.This paper systematically reviews the latest advances in the development of Co-P-based materials for use in water splitting.The essential effects of P in enhancing the catalytic performance of the hydrogen evolution reaction and oxygen evolution reaction are first outlined.Then,versatile synthesis techniques for Co-P electrocatalysts are summarized,followed by advanced strategies to enhance the electrocatalytic performance of Co-P materials,including heteroatom doping,composite construction,integration with well-conductive sub-strates,and structure control from the viewpoint of experiment.Along with these optimization strategies,the understanding of the inherent mechanism of enhanced catalytic performance is also discussed.Finally,some existing challenges in the development of highly active and stable Co-P-based materials are clarified,and pro-spective directions for prompting the wide commercialization of water electrolysis technology are proposed.

Multimode Design and Analysis of an Integrated Leg-Arm Quadruped Robot with Deployable Characteristics

To improve locomotion and operation integration, this paper presents an integrated leg-arm quadruped robot(ILQR) that has a reconfigurable joint. First, the reconfigurable joint is designed and assembled at the end of the legarm chain. When the robot performs a task, reconfigurable configuration and mode switching can be achieved using this joint. In contrast from traditional quadruped robots, this robot can stack in a designated area to optimize the occupied volume in a nonworking state. Kinematics modeling and dynamics modeling are established to evaluate the mechanical properties for multiple modes. All working modes of the robot are classified, which can be defined as deployable mode, locomotion mode and operation mode. Based on the stability margin and mechanical modeling, switching analysis and evaluation between each mode is carried out. Finally, the prototype experimental results verify the function realization and switching stability of multimode and provide a design method to integrate and perform multimode for quadruped robots with deployable characteristics.

Machine learning for membrane design and discovery

Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.

Review on the design of high-strength and hydrogen-embrittlement-resistant steels

Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel materials.Simultaneously,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering challenge.Developing high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical implications.This ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel sector.Based on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen traps.It also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance.

Glucocorticoids-based prodrug design:Current strategies and research progress

Attributing to their broad pharmacological effects encompassing anti-inflammation,antitoxin,and immunosuppression,glucocorticoids(GCs)are extensively utilized in the clinic for the treatment of diverse diseases such as lupus erythematosus,nephritis,arthritis,ulcerative colitis,asthma,keratitis,macular edema,and leukemia.However,longterm use often causes undesirable side effects,including metabolic disorders-induced Cushing's syndrome(buffalo back,full moon face,hyperglycemia,etc.),osteoporosis,aggravated infection,psychosis,glaucoma,and cataract.These notorious side effects seriously compromise patients'quality of life,especially in patients with chronic diseases.Therefore,glucocorticoid-based advanced drug delivery systems for reducing adverse effects have received extensive attention.Among them,prodrugs have the advantages of low investment,low risk,and high success rate,making them a promising strategy.In this review,we propose the strategies for the design and summarize current research progress of glucocorticoid-based prodrugs in recent decades,including polymer-based prodrugs,dendrimer-based prodrugs,antibody-drug conjugates,peptide-drug conjugates,carbohydrate-based prodrugs,aliphatic acid-based prodrugs and so on.Besides,we also raise issues that need to be focused on during the development of glucocorticoid-based prodrugs.This review is expected to be helpful for the research and development of novel GCs and prodrugs.

Random Forest-Based Fatigue Reliability-Based Design Optimization for Aeroengine Structures

Fatigue reliability-based design optimization of aeroengine structures involves multiple repeated calculations of reliability degree and large-scale calls of implicit high-nonlinearity limit state function,leading to the traditional direct Monte Claro and surrogate methods prone to unacceptable computing efficiency and accuracy.In this case,by fusing the random subspace strategy and weight allocation technology into bagging ensemble theory,a random forest(RF)model is presented to enhance the computing efficiency of reliability degree;moreover,by embedding the RF model into multilevel optimization model,an efficient RF-assisted fatigue reliability-based design optimization framework is developed.Regarding the low-cycle fatigue reliability-based design optimization of aeroengine turbine disc as a case,the effectiveness of the presented framework is validated.The reliabilitybased design optimization results exhibit that the proposed framework holds high computing accuracy and computing efficiency.The current efforts shed a light on the theory/method development of reliability-based design optimization of complex engineering structures.

Vibration Control of the Rail Grinding Vehicle with Abrasive Belt Based on Structural Optimization and Lightweight Design

As a new grinding and maintenance technology,rail belt grinding shows significant advantages in many applications The dynamic characteristics of the rail belt grinding vehicle largely determines its grinding performance and service life.In order to explore the vibration control method of the rail grinding vehicle with abrasive belt,the vibration response changes in structural optimization and lightweight design are respectively analyzed through transient response and random vibration simulations in this paper.Firstly,the transient response simulation analysis of the rail grinding vehicle with abrasive belt is carried out under operating conditions and non-operating conditions.Secondly,the vibration control of the grinding vehicle is implemented by setting vibration isolation elements,optimizing the structure,and increasing damping.Thirdly,in order to further explore the dynamic characteristics of the rail grinding vehicle,the random vibration simulation analysis of the grinding vehicle is carried out under the condition of the horizontal irregularity of the American AAR6 track.Finally,by replacing the Q235 steel frame material with 7075 aluminum alloy and LA43M magnesium alloy,both vibration control and lightweight design can be achieved simultaneously.The results of transient dynamic response analysis show that the acceleration of most positions in the two working conditions exceeds the standard value in GB/T 17426-1998 standard.By optimizing the structure of the grinding vehicle in three ways,the average vibration acceleration of the whole car is reduced by about 55.1%from 15.6 m/s^(2) to 7.0 m/s^(2).The results of random vibration analysis show that the grinding vehicle with Q235 steel frame does not meet the safety conditions of 3σ.By changing frame material,the maximum vibration stress of the vehicle can be reduced from 240.7 MPa to 160.0 MPa and the weight of the grinding vehicle is reduced by about 21.7%from 1500 kg to 1175 kg.The modal analysis results indicate that the vibration control of the grinding vehicle can be realized by optimizing the structure and replacing the materials with lower stiffness under the premise of ensuring the overall strength.The study provides the basis for the development of lightweight,diversified and efficient rail grinding equipment.

Optimal design for rubber concrete layered periodic foundations based on the analytical approximations of band gaps and mapping relations

The seismic performance of rubber concrete-layered periodic foundations are significantly influenced by their design,in which the band gaps play a paramount role.Aiming at providing better designs for these foundations,this study first proposes and validates the analytical formulas to approximate the bounds of the first few band gaps.In addition,the mapping relations linking the frequencies of different band gaps are presented.Furthermore,an optimal design method for these foundations is developed,which is validated through an engineering example.It is demonstrated that ensuring the superstructure’s resonance zones are completely covered by the corresponding periodic foundation’s band gaps can achieve satisfactory vibration attenuation effects,which is a good strategy for the design of rubber concrete layered periodic foundations.

Design and optimization of fluid lubricated bearings operated with extreme working performances——a comprehensive review

Fluid lubricated bearings have been widely adopted as support components for high-end equipment in metrology,semiconductor devices,aviation,strategic defense,ultraprecision manufacturing,medical treatment,and power generation.In all these applications,the equipment must deliver extreme working performances such as ultraprecise movement,ultrahigh rotation speed,ultraheavy bearing loads,ultrahigh environmental temperatures,strong radiation resistance,and high vacuum operation,which have challenged the design and optimization of reliable fluid lubricated bearings.Breakthrough of any related bottlenecks will promote the development course of high-end equipment.To promote the advancement of high-end equipment,this paper reviews the design and optimization of fluid lubricated bearings operated at typical extreme working performances,targeting the realization of extreme working performances,current challenges and solutions,underlying deficiencies,and promising developmental directions.This paper can guide the selection of suitable fluid lubricated bearings and optimize their structures to meet their required working performances.

Design method of extractant for liquid-liquid extraction based on elements and chemical bonds

In the petrochemical industry process, the relative volatility between the components to be separated is close to one or the azeotrope that systems are difficult to separate. Liquid-liquid extraction is a common and effective separation method, and selecting an extraction agent is the key to extraction technology research. In this paper, a design method of extractants based on elements and chemical bonds was proposed. A knowledge-based molecular design method was adopted to pre-select elements and chemical bond groups. The molecules were automatically synthesized according to specific combination rules to avoid the problem of “combination explosion” of molecules. The target properties of the extractant were set, and the extractant meeting the requirements was selected by predicting the correlation physical properties of the generated molecules. Based on the separation performance of the extractant in liquid-liquid extraction and the relative importance of each index, the fuzzy comprehensive evaluation membership function was established, the analytic hierarchy process determined the mass ratio of each index, and the consistency test results were passed. The results of case study based on quantum chemical analysis demonstrated that effective determination of extractants for the analysis of benzene-cyclohexane systems. The results unanimously prove that the method has important theoretical significance and application value.

Optimal Design of High-Speed Partial Flow Pumps using Orthogonal Tests and Numerical Simulations

To investigate the influence of structural parameters on the performances and internal flow characteristics of partial flow pumps at a low specific speed of 10000 rpm,special attention was paid to the first and second stage impeller guide vanes.Moreover,the impeller blade outlet width,impeller inlet diameter,blade inclination angle,and number of blades were considered for orthogonal tests.Accordingly,nine groups of design solutions were formed,and then used as a basis for the execution of numerical simulations(CFD)aimed at obtaining the efficiency values and heads for each design solution group.The influence of impeller geometric parameters on the efficiency and head was explored,and the“weight”of each factor was obtained via a range analysis.Optimal structural parameters were finally chosen on the basis of the numerical simulation results,and the performances of the optimized model were verified accordingly(yet by means of CFD).Evidence is provided that the increase in the efficiency and head of the optimized model was 12.11%and 23.5 m,respectively,compared with those of the original model.

The Impact of Sea Level Rise on Roadway Design and Evacuation Routes in Delaware

As the global temperature continues to increase, the sea level continues to rise at a rapid rate that has never been seen before. This becomes an issue for many facets of life but one of the most impacted is the transportation infrastructure. Many people living in low elevation coastal areas can become trapped by flooding with no way in or out. With Delaware being a coastal state, this would affect a large portion of the population and will have detrimental effects over time if nothing is done to combat sea level rise. The issue with sea level rise in transportation is that once the roads become flooded, they become virtually unusable and detour routes would be needed. If all the roads in a coastal area were to be affected by sea level rise, the options for detours would become limited. This article looks at direct solutions to combat sea level rise and indirect solutions that would specifically help transportation infrastructure and evacuation routes in Delaware. There is not one solution that can fix every problem, so many solutions are laid out to see what is applicable to each affected area. Some solutions include defense structures that would be put close to the coast, raising the elevation of vulnerable roads throughout the state and including pumping stations to drain the water on the surface of the road. With an understanding of all these solutions around the world, the ultimate conclusion came in the form of a six-step plan that Delaware should take in order to best design against sea level rise in these coastal areas.

The design and engineering strategies of metal tellurides for advanced metal-ion batteries

Owning various crystal structures and high theoretical capacity,metal tellurides are emerging as promising electrode materials for high-performance metal-ion batteries(MBs).Since metal telluride-based MBs are quite new,fundamental issues raise regarding the energy storage mechanism and other aspects affecting electrochemical performance.Severe volume expansion,low intrinsic conductivity and slow ion diffusion kinetics jeopardize the performance of metal tellurides,so that rational design and engineering are crucial to circumvent these disadvantages.Herein,this review provides an in-depth discussion of recent investigations and progresses of metal tellurides,beginning with a critical discussion on the energy storage mechanisms of metal tellurides in various MBs.In the following,recent design and engineering strategies of metal tellurides,including morphology engineering,compositing,defect engineering and heterostructure construction,for high-performance MBs are summarized.The primary focus is to present a comprehensive understanding of the structural evolution based on the mechanism and corresponding effects of dimension control,composition,electron configuration and structural complexity on the electrochemical performance.In closing,outlooks and prospects for future development of metal tellurides are proposed.This work also highlights the promising directions of design and engineering strategies of metal tellurides with high performance and low cost.

Effect of bipolar-plates design on corrosion,mass and heat transfer in proton-exchange membrane fuel cells and water electrolyzers:A review

Attaining a decarbonized and sustainable energy system,which is the core solution to global energy issues,is accessible through the development of hydrogen energy.Proton-exchange membrane water electrolyzers(PEMWEs)are promising devices for hydrogen production,given their high efficiency,rapid responsiveness,and compactness.Bipolar plates account for a relatively high percentage of the total cost and weight compared with other components of PEMWEs.Thus,optimization of their design may accelerate the promotion of PEMWEs.This paper reviews the advances in materials and flow-field design for bipolar plates.First,the working conditions of proton-exchange membrane fuel cells(PEMFCs)and PEMWEs are compared,including reaction direction,operating temperature,pressure,input/output,and potential.Then,the current research status of bipolar-plate substrates and surface coatings is summarized,and some typical channel-rib flow fields and porous flow fields are presented.Furthermore,the effects of materials on mass and heat transfer and the possibility of reducing corrosion by improving the flow field structure are explored.Finally,this review discusses the potential directions of the development of bipolar-plate design,including material fabrication,flow-field geometry optimization using threedimensional printing,and surface-coating composition optimization based on computational materials science.

Process design and intensification of multicomponent azeotropes special distillation separation via molecular simulation and system optimization

This work provides an overview of distillation processes,including process design for different distillation processes,selection of entrainers for special distillation processes,system integration and intensification of distillation processes,optimization of process parameters for distillation processes and recent research progress in dynamic control strategies.Firstly,the feasibility of using thermodynamic topological theories such as residual curve,phase equilibrium line and distillation boundary line to analyze different separation regions is discussed,and the rationality of distillation process design is discussed by using its feasibility.Secondly,the application of molecular simulation methods such as molecular dynamics simulation and quantum chemical calculation in the screening of entrainer is discussed for the extractive distillation process.The thermal coupling mechanism of different distillation processes is used to explore the process of different process intensifications.Next,a mixed integer nonlinear optimization strategy for the distillation process based on different algorithms is introduced.Finally,the improvement of dynamic control strategies for different distillation processes in recent years is summarized.This work focuses on the application of process intensification and system optimization in the design of distillation process,and analyzes the challenges,prospects,and development trends of distillation technology in the separation of multicomponent azeotropes.

Resistive switching behavior and mechanism of HfO_(x) films with large on/off ratio by structure design

Different bilayer structures of HfO_(x)/Ti(TiO_(x)) are designed for hafnium-based memory to investigate the switching characteristics. The chemical states in the films and near the interface are characterized by x-ray photoelectron spectroscopy,and the oxygen vacancies are analyzed. Highly improved on/off ratio(~104) and much uniform switching parameters are observed for bilayer structures compared to single layer HfO_(x) sample, which can be attributed to the modulation of oxygen vacancies at the interface and better control of the growth of filaments. Furthermore, the reliability of the prepared samples is investigated. The carrier conduction behaviors of HfO_(x)-based samples can be attributed to the trapping and de-trapping process of oxygen vacancies and a filamentary model is proposed. In addition, the rupture of filaments during the reset process for the bilayer structures occur at the weak points near the interface by the recovery of oxygen vacancies accompanied by the variation of barrier height. The re-formation of fixed filaments due to the residual filaments as lightning rods results in the better switching performance of the bilayer structure.