Discharge plasma parameter measurement is a key focus in low-temperature plasma research.Traditional diagnostics often require costly equipment,whereas electro-acoustic signals provide a rich,non-invasive,and less com...Discharge plasma parameter measurement is a key focus in low-temperature plasma research.Traditional diagnostics often require costly equipment,whereas electro-acoustic signals provide a rich,non-invasive,and less complex source of discharge information.This study harnesses machine learning to decode these signals.It establishes links between electro-acoustic signals and gas discharge parameters,such as power and distance,thus streamlining the prediction process.By building a spark discharge platform to collect electro-acoustic signals and implementing a series of acoustic signal processing techniques,the Mel-Frequency Cepstral Coefficients(MFCCs)of the acoustic signals are extracted to construct the predictors.Three machine learning models(Linear Regression,k-Nearest Neighbors,and Random Forest)are introduced and applied to the predictors to achieve real-time rapid diagnostic measurement of typical spark discharge power and discharge distance.All models display impressive performance in prediction precision and fitting abilities.Among them,the k-Nearest Neighbors model shows the best performance on discharge power prediction with the lowest mean square error(MSE=0.00571)and the highest R-squared value(R^(2)=0.93877).The experimental results show that the relationship between the electro-acoustic signal and the gas discharge power and distance can be effectively constructed based on the machine learning algorithm,which provides a new idea and basis for the online monitoring and real-time diagnosis of plasma parameters.展开更多
The construction of major marine infrastructure projects and the exploration and development of deep-sea mineral resources require fine imaging of seabed strata and structures.The highresolution marine seismic explora...The construction of major marine infrastructure projects and the exploration and development of deep-sea mineral resources require fine imaging of seabed strata and structures.The highresolution marine seismic exploration based on a high broadband sparker source is an important approach to reveal seabed stratum and reservoir structure,and identify geohazard.To optimize the performance of sparker seismic source,we investigated the electro-acoustic characteristics of spark discharge under conditions of different charging voltages and electrode numbers.Results show that the sound source level increased with the increase of the charging voltage,whereas the main frequency decreased when the charging voltage increases.In addition,it was found that the charging capacitance had more obvious influence on the main frequency than the sound source level did.Although the load energy decreased with increasing electrode number,the sound source level still increased but the main frequency decreased.Meanwhile,the primary to bubble(P/B)ratio increased with the increase of the electrode number.To gain a deeper insight into the electro-acoustic characteristics,we investigate the relationship between sound source level and power peak,from which a good correlation was observed.A more practical statistical analysis on the rise rate of current was processed,and a perfect logarithmic function was derived.Furthermore,we found that the main frequency was most possibly subjected to the electrical energy,especially the charging energy per electrode.The results indicate that the charging energy per electrode less than 10 J could increase the main frequency to above 300 Hz.At last,the main frequency could be reduced to 20 Hz when the charging energy of a single-electrode discharge was enhanced to over 4 kJ.This study shall be helpful in developing a sparker seismic source and improving the performance for marine engineering exploration and geohazard assessment.展开更多
Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between di...Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between different patterns under deformation.However,the related inverse design problem is quite challenging,due to the lack of appropriate mathematical formulation and the convergence issue in the post-buckling analysis of intermediate designs.In this work,periodic unit cells are explicitly described by the moving morphable voids method and effectively analyzed by eliminating the degrees of freedom in void regions.Furthermore,by exploring the Pareto frontiers between error and cost,an inverse design formulation is proposed for unit cells.This formulation aims to achieve a prescribed constitutive curve and is validated through numerical examples and experimental results.The design approach presented here can be extended to the inverse design of other types of mechanical metamaterials with prescribed nonlinear effective properties.展开更多
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-...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.展开更多
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...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.展开更多
Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using exi...Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have persisted.These challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of L-PBF.To address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF technologies.This review provides a comprehensive summary of the strategies employed in alloy design for L-PBF.It aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing alloys.The review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat treatment.Next,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional weldability.It was found that the weldability criteria are not always applicable in estimating printability.Furthermore,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted approaches.Lastly,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.展开更多
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 ...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.展开更多
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 me...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.展开更多
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...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.展开更多
High voltage is necessary for high energy lithium-ion batteries but difficult to achieve because of the highly deteriorated cyclability of the batteries.A novel strategy is developed to extend cyclability of a high vo...High voltage is necessary for high energy lithium-ion batteries but difficult to achieve because of the highly deteriorated cyclability of the batteries.A novel strategy is developed to extend cyclability of a high voltage lithium-ion battery,LiNi_(0.5)Mn_(1.5)O_(4)/Graphite(LNMO/Graphite)cell,which emphasizes a rational design of an electrolyte additive that can effectively construct protective interphases on anode and cathode and highly eliminate the effect of hydrogen fluoride(HF).5-Trifluoromethylpyridine-trime thyl lithium borate(LTFMP-TMB),is synthesized,featuring with multi-functionalities.Its anion TFMPTMB-tends to be enriched on cathode and can be preferentially oxidized yielding TMB and radical TFMP-.Both TMB and radical TFMP can combine HF and thus eliminate the detrimental effect of HF on cathode,while the TMB dragged on cathode thus takes a preferential oxidation and constructs a protective cathode interphase.On the other hand,LTFMP-TMB is preferentially reduced on anode and constructs a protective anode interphase.Consequently,a small amount of LTFMP-TMB(0.2%)in 1.0 M LiPF6in EC/DEC/EMC(3/2/5,wt%)results in a highly improved cyclability of LNMO/Graphite cell,with the capacity retention enhanced from 52%to 80%after 150 cycles at 0.5 C between 3.5 and 4.8 V.The as-developed strategy provides a model of designing electrolyte additives for improving cyclability of high voltage batteries.展开更多
Background:As the market demands change,SMEs(small and medium-sized enterprises)have long faced many design issues,including high costs,lengthy cycles,and insufficient innovation.These issues are especially noticeable...Background:As the market demands change,SMEs(small and medium-sized enterprises)have long faced many design issues,including high costs,lengthy cycles,and insufficient innovation.These issues are especially noticeable in the domain of cosmetic packaging design.Objective:To explore innovative product family modeling methods and configuration design processes to improve the efficiency of enterprise cosmetic packaging design and develop the design for mass customization.Methods:To accomplish this objective,the basic-element theory has been introduced and applied to the design and development system of the product family.Results:By examining the mapping relationships between the demand domain,functional domain,technology domain,and structure domain,four interrelated models have been developed,including the demand model,functional model,technology model,and structure model.Together,these models form the mechanism and methodology of product family modeling,specifically for cosmetic packaging design.Through an analysis of a case study on men’s cosmetic packaging design,the feasibility of the proposed product family modeling technology has been demonstrated in terms of customized cosmetic packaging design,and the design efficiency has been enhanced.Conclusion:The product family modeling technology employs a formalized element as a module configuration design language,permeating throughout the entire development cycle of cosmetic packaging design,thus facilitating a structured and modularized configuration design process for the product family system.The application of the basic-element principle in product family modeling technology contributes to the enrichment of the research field surrounding cosmetic packaging product family configuration design,while also providing valuable methods and references for enterprises aiming to elevate the efficiency of cosmetic packaging design for the mass customization product model.展开更多
Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas...Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas become a focal point for contemporary researchers. Therefore, this paper aims to investigate the topologyoptimization of large cavity structures as a means to enhance their performance, safety, and efficiency. By usingthe variable density method, lightweight design is achieved without compromising structural strength. Theoptimization model considers both concentrated and distributed loads, and utilizes techniques like sensitivityfiltering and projection to obtain a robust optimized configuration. The mechanical properties are checked bycomparing the stress distribution and displacement of the unoptimized and optimized structures under the sameload. The results confirm that the optimized structures exhibit improved mechanical properties, thus offering keyinsights for engineering lightweight, high-strength large cavity structures.展开更多
基金partially supported by National Natural Science Foundation of China(No.52377155)the State Key Laboratory of Reliability and Intelligence of Electrical Equipment(No.EERI-KF2021001)Hebei University of Technology。
文摘Discharge plasma parameter measurement is a key focus in low-temperature plasma research.Traditional diagnostics often require costly equipment,whereas electro-acoustic signals provide a rich,non-invasive,and less complex source of discharge information.This study harnesses machine learning to decode these signals.It establishes links between electro-acoustic signals and gas discharge parameters,such as power and distance,thus streamlining the prediction process.By building a spark discharge platform to collect electro-acoustic signals and implementing a series of acoustic signal processing techniques,the Mel-Frequency Cepstral Coefficients(MFCCs)of the acoustic signals are extracted to construct the predictors.Three machine learning models(Linear Regression,k-Nearest Neighbors,and Random Forest)are introduced and applied to the predictors to achieve real-time rapid diagnostic measurement of typical spark discharge power and discharge distance.All models display impressive performance in prediction precision and fitting abilities.Among them,the k-Nearest Neighbors model shows the best performance on discharge power prediction with the lowest mean square error(MSE=0.00571)and the highest R-squared value(R^(2)=0.93877).The experimental results show that the relationship between the electro-acoustic signal and the gas discharge power and distance can be effectively constructed based on the machine learning algorithm,which provides a new idea and basis for the online monitoring and real-time diagnosis of plasma parameters.
基金Supported by the National Natural Science Foundation of China(No.42276195)the Natural Science Foundation of Zhejiang Province(No.LQ22D060006)the Science Foundation of Zhejiang Sci-Tech University(No.21022092-Y)。
文摘The construction of major marine infrastructure projects and the exploration and development of deep-sea mineral resources require fine imaging of seabed strata and structures.The highresolution marine seismic exploration based on a high broadband sparker source is an important approach to reveal seabed stratum and reservoir structure,and identify geohazard.To optimize the performance of sparker seismic source,we investigated the electro-acoustic characteristics of spark discharge under conditions of different charging voltages and electrode numbers.Results show that the sound source level increased with the increase of the charging voltage,whereas the main frequency decreased when the charging voltage increases.In addition,it was found that the charging capacitance had more obvious influence on the main frequency than the sound source level did.Although the load energy decreased with increasing electrode number,the sound source level still increased but the main frequency decreased.Meanwhile,the primary to bubble(P/B)ratio increased with the increase of the electrode number.To gain a deeper insight into the electro-acoustic characteristics,we investigate the relationship between sound source level and power peak,from which a good correlation was observed.A more practical statistical analysis on the rise rate of current was processed,and a perfect logarithmic function was derived.Furthermore,we found that the main frequency was most possibly subjected to the electrical energy,especially the charging energy per electrode.The results indicate that the charging energy per electrode less than 10 J could increase the main frequency to above 300 Hz.At last,the main frequency could be reduced to 20 Hz when the charging energy of a single-electrode discharge was enhanced to over 4 kJ.This study shall be helpful in developing a sparker seismic source and improving the performance for marine engineering exploration and geohazard assessment.
基金supported by the National Natural Science Foun-dation of China(Grant Nos.12002073 and 12372122)the National Key Research and Development Plan of China(Grant No.2020YFB 1709401)+2 种基金the Science Technology Plan of Liaoning Province(Grant No.2023JH2/101600044)the Liaoning Revitalization Talents Pro-gram(Grant No.XLYC2001003)111 Project of China(Grant No.B14013).
文摘Besides exhibiting excellent capabilities such as energy absorption,phase-transforming metamaterials offer a vast design space for achieving nonlinear constitutive relations.This is facilitated by switching between different patterns under deformation.However,the related inverse design problem is quite challenging,due to the lack of appropriate mathematical formulation and the convergence issue in the post-buckling analysis of intermediate designs.In this work,periodic unit cells are explicitly described by the moving morphable voids method and effectively analyzed by eliminating the degrees of freedom in void regions.Furthermore,by exploring the Pareto frontiers between error and cost,an inverse design formulation is proposed for unit cells.This formulation aims to achieve a prescribed constitutive curve and is validated through numerical examples and experimental results.The design approach presented here can be extended to the inverse design of other types of mechanical metamaterials with prescribed nonlinear effective properties.
基金the Natural Science Foundation of China(Grant No:22309180)Strategic Priority Research Program of the Chinese Academy of Sciences(Grant No:XDB0600000,XDB0600400)+3 种基金Liaoning Binhai Laboratory,(Grant No:LILBLB-2023-04)Dalian Revitalization Talents Program(Grant No:2022RG01)Youth Science and Technology Foundation of Dalian(Grant No:2023RQ015)the University of Waterloo.
文摘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.
基金S.G.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 52272144,51972076)the Heilongjiang Provincial Natural Science Foundation of China(JQ2022E001)+4 种基金the Natural Science Foundation of Shandong Province(ZR2020ZD42)the Fundamental Research Funds for the Central Universities.H.D.acknowledges the financial support from the National Natural Science Foundation of China(NSFC 22205048)China Postdoctoral Science Foundation(2022M710931 and 2023T160154)Heilongjiang Postdoctoral Science Foundation(LBH-Z22010)G.Y.acknowledges the financial support from the National Science Foundation of Heilongjiang Education Department(324022075).
文摘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.
基金financially supported by the National Key Research and Development Program of China(2022YFB4600302)National Natural Science Foundation of China(52090041)+1 种基金National Natural Science Foundation of China(52104368)National Major Science and Technology Projects of China(J2019-VII-0010-0150)。
文摘Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have persisted.These challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of L-PBF.To address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF technologies.This review provides a comprehensive summary of the strategies employed in alloy design for L-PBF.It aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing alloys.The review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat treatment.Next,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional weldability.It was found that the weldability criteria are not always applicable in estimating printability.Furthermore,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted approaches.Lastly,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.
基金The work described in this paper was fully supported by a Grant from the City University of Hong Kong(Project No.9610641).
文摘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.
文摘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.
基金the National Natural Science Foundation of China(21962008)Yunnan Province Excellent Youth Fund Project(202001AW070005)+1 种基金Candidate Talents Training Fund of Yunnan Province(2017PY269SQ,2018HB007)Yunnan Ten Thousand Talents Plan Young&Elite Talents Project(YNWR-QNBJ-2018-346).
文摘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.
基金supported by the National Natural Science Foundation of China(22179041)。
文摘High voltage is necessary for high energy lithium-ion batteries but difficult to achieve because of the highly deteriorated cyclability of the batteries.A novel strategy is developed to extend cyclability of a high voltage lithium-ion battery,LiNi_(0.5)Mn_(1.5)O_(4)/Graphite(LNMO/Graphite)cell,which emphasizes a rational design of an electrolyte additive that can effectively construct protective interphases on anode and cathode and highly eliminate the effect of hydrogen fluoride(HF).5-Trifluoromethylpyridine-trime thyl lithium borate(LTFMP-TMB),is synthesized,featuring with multi-functionalities.Its anion TFMPTMB-tends to be enriched on cathode and can be preferentially oxidized yielding TMB and radical TFMP-.Both TMB and radical TFMP can combine HF and thus eliminate the detrimental effect of HF on cathode,while the TMB dragged on cathode thus takes a preferential oxidation and constructs a protective cathode interphase.On the other hand,LTFMP-TMB is preferentially reduced on anode and constructs a protective anode interphase.Consequently,a small amount of LTFMP-TMB(0.2%)in 1.0 M LiPF6in EC/DEC/EMC(3/2/5,wt%)results in a highly improved cyclability of LNMO/Graphite cell,with the capacity retention enhanced from 52%to 80%after 150 cycles at 0.5 C between 3.5 and 4.8 V.The as-developed strategy provides a model of designing electrolyte additives for improving cyclability of high voltage batteries.
基金the Guangdong Planning Office of Philosophy and Social Science(Grant No.GD22XYS04).
文摘Background:As the market demands change,SMEs(small and medium-sized enterprises)have long faced many design issues,including high costs,lengthy cycles,and insufficient innovation.These issues are especially noticeable in the domain of cosmetic packaging design.Objective:To explore innovative product family modeling methods and configuration design processes to improve the efficiency of enterprise cosmetic packaging design and develop the design for mass customization.Methods:To accomplish this objective,the basic-element theory has been introduced and applied to the design and development system of the product family.Results:By examining the mapping relationships between the demand domain,functional domain,technology domain,and structure domain,four interrelated models have been developed,including the demand model,functional model,technology model,and structure model.Together,these models form the mechanism and methodology of product family modeling,specifically for cosmetic packaging design.Through an analysis of a case study on men’s cosmetic packaging design,the feasibility of the proposed product family modeling technology has been demonstrated in terms of customized cosmetic packaging design,and the design efficiency has been enhanced.Conclusion:The product family modeling technology employs a formalized element as a module configuration design language,permeating throughout the entire development cycle of cosmetic packaging design,thus facilitating a structured and modularized configuration design process for the product family system.The application of the basic-element principle in product family modeling technology contributes to the enrichment of the research field surrounding cosmetic packaging product family configuration design,while also providing valuable methods and references for enterprises aiming to elevate the efficiency of cosmetic packaging design for the mass customization product model.
基金the National Natural Science Foundation of China and the Natural Science Foundation of Jiangsu Province.It was also supported in part by Young Elite Scientists Sponsorship Program by CAST.
文摘Large cavity structures are widely employed in aerospace engineering, such as thin-walled cylinders, blades andwings. Enhancing performance of aerial vehicles while reducing manufacturing costs and fuel consumptionhas become a focal point for contemporary researchers. Therefore, this paper aims to investigate the topologyoptimization of large cavity structures as a means to enhance their performance, safety, and efficiency. By usingthe variable density method, lightweight design is achieved without compromising structural strength. Theoptimization model considers both concentrated and distributed loads, and utilizes techniques like sensitivityfiltering and projection to obtain a robust optimized configuration. The mechanical properties are checked bycomparing the stress distribution and displacement of the unoptimized and optimized structures under the sameload. The results confirm that the optimized structures exhibit improved mechanical properties, thus offering keyinsights for engineering lightweight, high-strength large cavity structures.