The integration of artificial intelligence (AI) with high-throughput experimentation (HTE) techniques is revolutionizing catalyst design, addressing challenges in efficiency, cost, and scalability. This review explore...The integration of artificial intelligence (AI) with high-throughput experimentation (HTE) techniques is revolutionizing catalyst design, addressing challenges in efficiency, cost, and scalability. This review explores the synergistic application of AI and HTE, highlighting their role in accelerating catalyst discovery, optimizing reaction parameters, and understanding structure-performance relationships. HTE facilitates the rapid preparation, characterization, and evaluation of diverse catalyst formulations, generating large datasets essential for AI model training. Machine learning algorithms, including regression models, neural networks, and active learning frameworks, analyze these datasets to uncover the underlying relationships between the data, predict performance, and optimize experimental workflows in real-time. Case studies across heterogeneous, homogeneous, and electrocatalysis demonstrate significant advancements, including improved reaction selectivity, enhanced material stability, and shorten discovery cycles. The integration of AI with HTE has significantly accelerated discovery cycles, enabling the optimization of catalyst formulations and reaction conditions. Despite these achievements, challenges remain, including reliance on researcher expertise, real-time adaptability, and the complexity of large-scale data analysis. Addressing these limitations through refined experimental protocols, standardized datasets, and interpretable AI models will unlock the full potential of AI-HTE integration.展开更多
Sm–Co-based films play an irreplaceable role in special applications due to their high curie temperature and magnetocrystalline anisotropic energy,especially in heat-assisted magnetic recording(HAMR),but the complex ...Sm–Co-based films play an irreplaceable role in special applications due to their high curie temperature and magnetocrystalline anisotropic energy,especially in heat-assisted magnetic recording(HAMR),but the complex composition of Sm–Co phase and unclear synergistic coupling mechanisms of multi-elemental doping become the challenges to enhance the properties.In this work,a novel strategy combining magnetron sputtering and a high-throughput experiment method is applied to solve the above-mentioned problems.Fe/Cu co-doping highly increases the remanence while maintaining a coercivity larger than 26 kOe,leading to an enhancement of the magnetic energy product to 18.1 MGOe.X-ray diffraction(XRD)and high-resolution transmission electron microscope(HRTEM)reveals that SmCo_(5) phase occupies the major fraction,with Co atoms partially substituted by Fe and Cu atoms.In situ Lorentz transmission electron microscopy(LTEM)observations show that the Sm(Co,Cu)5 phase effectively prohibits domain wall motions,leading to an increase of coercivity(H_(c)).Fe doping increases the low saturation magnetization(M_(s))and low remanence(Mr)due to the Fe atom having a higher saturation magnetic moment.The magnetization reversal behaviors are further verified by micromagnetic simulations.Our results suggest that Sm–Co-based films prepared via Fe/Cu co-doping could be a promising candidate for high-performed HAMR in the future.展开更多
A combinatorial high-throughput experiment(HTE)was used to optimize composition and process of nickel-saving cryogenic steel.A gradient temperature heat treatment method with a high linear distribution of heat treatme...A combinatorial high-throughput experiment(HTE)was used to optimize composition and process of nickel-saving cryogenic steel.A gradient temperature heat treatment method with a high linear distribution of heat treatment temperature using customized graphite sleeve direct current heating was used in the combinatorial HTE,which enhanced the richness of the sample library for the single preparation of the 10^(2) level component process variables.Cryogenic steel with excellent mechanical properties was optimized using this combinatorial HTE,and the Ni content was reduced from the traditional 9 to 5.6 wt.%by using Mn instead of Ni.The heterogeneous structure architecture strategy and strengthening and toughening mechanism of the harmonic structure induced by intrinsic heat treatment of additive manufacturing were revealed.Taking the composition process optimization of Ni-saving cryogenic steel as an example,the boosting ability of combinatorial HTE in the research and development of new metal materials was proposed.展开更多
Ti alloys,as leading lightweight and high-strength metallic materials,exhibit significant application potential in aerospace,marine engineering,biomedical,and other industries.However,the lack of fundamental understan...Ti alloys,as leading lightweight and high-strength metallic materials,exhibit significant application potential in aerospace,marine engineering,biomedical,and other industries.However,the lack of fundamental understanding of the microstructure−property relationship results in prolonged research and development(R&D)cycles,hindering the optimization of the performance of Ti alloys.Recently,the advent of high-throughput experimental(HTE)technology has shown promise in facilitating the efficient and demand-driven development of next-generation Ti alloys.This work reviews the latest advancements in HTE technology for Ti alloys.The high-throughput preparation(HTP)techniques commonly used in the fabrication of Ti alloys are addressed,including diffusion multiple,additive manufacturing(AM),vapor deposition and others.The current applications of high-throughput characterization(HTC)techniques in Ti alloys are shown.Finally,the research achievements in HTE technology for Ti alloys are summarized and the challenges faced in their industrial application are discussed.展开更多
Herein,we report a novel and highly efficient method for the synthesis ofα-phosphoryloxy carbonyl compounds via Rucatalyzed P(O)O–H insertion reactions of sulfoxonium ylides and phosphinic acids,with the assistance ...Herein,we report a novel and highly efficient method for the synthesis ofα-phosphoryloxy carbonyl compounds via Rucatalyzed P(O)O–H insertion reactions of sulfoxonium ylides and phosphinic acids,with the assistance of high-throughput experimentation(HTE)and machine learning(ML).A variety of P(O)O−H derivatives,including diarylphosphates,alkyl phosphates,and alkoxyphosphates,are competent candidates to react with sulfoxonium ylides in this transformation,and variousα-phosphoryloxy carbonyls and propylene phosphates are directly constructed.This approach utilizes readily available sulfoxonium ylide as a carbene precursor,and features mild conditions,operational simplicity,and broad functional groups tolerance,and could be used for late-stage functionalization of structurally complex bioactive molecules.Moreover,a conducive exploration of the reaction space is also conducted(756 reactions)and a machine learning model for reaction yield prediction has been developed and applied,showcasing the practical application of this newly workflow(HTE-ML)in the field of synthetic chemistry.展开更多
Polymer crystallization,an everlasting subject in polymeric materials,holds great significance not only as a fundamental theoretical issue but also as a pivotal basis for directing polymer processing.Given its multist...Polymer crystallization,an everlasting subject in polymeric materials,holds great significance not only as a fundamental theoretical issue but also as a pivotal basis for directing polymer processing.Given its multistep,rapid,and thermodynamic nature,tracing and comprehending polymer crystallization pose a formidable challenge,particularly when it encounters practical processing scenarios that involve complex coupledfields(such as temperature,flow,and pressure).The advent of high-time and spatially resolved experiments paves the way for in situ investigations of polymer crystallization.In this review,we delve into the strides in studying polymer crystallization under the effects of coupled externalfields via state-of-the-art high-throughput experiments.We highlight the intricate setup of these high-throughput experimental devices,spanning from the laboratory and pilot levels to the industrial level.The individual and combined effects of externalfields on polymer crystallization are discussed.By breaking away from the conventional“black box”research approach,special interest is paid to the in situ crystalline behavior of polymers during realistic processing.Finally,we underscore the advancements in polymer crystallization via high-throughput experiments and outline its promising development.展开更多
High-throughput(HTP)experiments play key roles in accelerating the discovery of advanced materials,but the HTP preparation and characterization,especially for bulk samples,are extremely difficult.In this work,we devel...High-throughput(HTP)experiments play key roles in accelerating the discovery of advanced materials,but the HTP preparation and characterization,especially for bulk samples,are extremely difficult.In this work,we developed a novel and general strategy for HTP screening of high-performance bulk thermoelectric materials.The performed fullchain HTP experiments cover rapid synthesis of the bulk sample with quasi-continuous composition,microarea phase identification and structure analysis,and measurement of the spatial distribution of the sample composition,electrical and thermal transport properties.According to our experiments,bulk Bi_(2-x)Sb_(x)Te_(3)(x=1-2)and Bi_(2)Te_(3-x)Se_(x)(x=0-1.5)samples with quasi-continuous compositions have been rapidly fabricated by this HTP method.The target thermoelectric materials with the best Sb/Bi and Te/Se ratios are successfully screened out based on subsequent HTP characterization results,demonstrating that this HTP technique is effective in speeding up the exploration of novel high-performance thermoelectric materials.展开更多
Materials genome engineering(MGE)has been successfully applied in various fields,resulting in a series of novel materials with excellent performance.Significant progress has been made in high-throughput simulation,exp...Materials genome engineering(MGE)has been successfully applied in various fields,resulting in a series of novel materials with excellent performance.Significant progress has been made in high-throughput simulation,experimentation,and data-driven techniques,enabling the effective prediction,rapid synthesis,and characterization of many classes of materials.In this brief review,we introduce the achievements made in the field of metallic glasses(MGs)using MGE,in particular high-throughput experimentation and data-driven approaches.High-throughput experiments help to efficiently synthesize and characterize many materials in a short period of time,enabling the construction of high-quality material databases for data-driven methods.Paired with machine learning,potential alloys of desired properties may be revealed and predicted.Along with the progress in computational power and algorithms of machine learning,the complex composition-structure-properties relationship is hopefully established,which in turn help efficient and precise prediction of new MGs.展开更多
High-throughput experimental techniques can accelerate and economize corrosion evaluation,and thus,have great potential in the development of new materials for corrosion protection such as corrosion-resistant metals,c...High-throughput experimental techniques can accelerate and economize corrosion evaluation,and thus,have great potential in the development of new materials for corrosion protection such as corrosion-resistant metals,corrosion inhibitors,and anticorrosion coatings.This concise review highlights high-throughput experimental techniques that have been recently applied for corrosion research,including(i)the high-throughput preparation of metal samples in the form of thin films or bulk materials,(ii)high-throughput experiments based on corrosive solutions with independent or gradient parameters,(iii)high-throughput evaluation of changes in physicochemical properties,and(iv)high-throughput corrosion evaluation by electrochemical methods.To advance automated and intelligent corrosion research,future directions for the development of the high-throughput corrosion experimental and characterization techniques are also discussed.展开更多
1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In ...1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In most cases,exploration of new and alternative battery materials starts from known literature and follows time-consuming trial-and-error experimental展开更多
1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In ...1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In most cases,exploration of new and alternative battery materials starts from known literature and follows time-consuming trial-and-error experimental or modeling approaches.The Materials Genome Initiative was展开更多
Since the Material Genome Initiative(MGI) was proposed, high-throughput based technology has been widely employed in various fields of materials science. As a theoretical guide, material informatics has been introduce...Since the Material Genome Initiative(MGI) was proposed, high-throughput based technology has been widely employed in various fields of materials science. As a theoretical guide, material informatics has been introduced based on machine learning and data mining and high-throughput computation has been employed for large scale search, narrowing down the scope of the experiment trials. High-throughput materials experiments including synthesis, processing, and characterization technologies have become valuable research tools to pin down the prediction experimentally, enabling the discovery-to-deployment of advances materials more efficiently at a fraction of cost. This review aims to summarize the recent advances of high-throughput materials experiments and introduce briefly the development of materials design based on material genome concept. By selecting representative and classic works in the past years, various high-throughput preparation methods are introduced for different types of material gradient libraries, including metallic, inorganic materials, and polymers. Furthermore, high-throughput characterization approaches are comprehensively discussed, including both their advantages and limitations. Specifically, we focus on high-throughput mass spectrometry to analyze its current status and challenges in the application of catalysts screening.展开更多
Aqueous zinc ion batteries(AZIBs)have attracted much attention in recent years due to their high safety,low cost,and decent electrochemical performance.However,the traditional electrodes development process requires t...Aqueous zinc ion batteries(AZIBs)have attracted much attention in recent years due to their high safety,low cost,and decent electrochemical performance.However,the traditional electrodes development process requires tedious synthesis and testing procedures,which reduces the efficiency of developing highperformance battery devices.Here,we proposed a high-throughput screening strategy based on firstprinciples calculations to aid the experimental development of high-performance spinel cathode materials for AZIBs.We obtained 14 spinel materials from 12,047 Mn/Zn-O based materials by examining their structures and whether they satisfy the basic properties of electrodes.Then their band structures and density of states,open circuit voltage and volume expansion rate,ionic diffusion coefficient and energy barrier were further evaluated by first-principles calculations,resulting in five potential candidates.One of the promising candidates identified,Mg_(2)MnO_(4),was experimentally synthesized,characterized and integrated into an AZIB based cell to verify its performance as a cathode.The Mg_(2)MnO_(4)cathode exhibits excellent cycling stability,which is consistent with the theoretically predicted low volume expansion.Moreover,at high current density,the Mg_(2)MnO_(4)cathode still exhibits high reversible capacity and excellent rate performance,indicating that it is an excellent cathode material for AZIBs.Our work provides a new approach to accelerate the development of high-performance cathodes for AZIBs and other ion batteries.展开更多
The recent upsurge in metro construction emphasizes the necessity of understanding the mechanical performance of metro shield tunnel subjected to the influence of ground fissures.In this study,a largescale experiment,...The recent upsurge in metro construction emphasizes the necessity of understanding the mechanical performance of metro shield tunnel subjected to the influence of ground fissures.In this study,a largescale experiment,in combination with numerical simulation,was conducted to investigate the influence of ground fissures on a metro shield tunnel.The results indicate that the lining contact pressure at the vault increases in the hanging wall while decreases in the footwall,resulting in a two-dimensional stress state of vertical shear and axial tension-compression,and simultaneous vertical dislocation and axial tilt for the segments around the ground fissure.In addition,the damage to curved bolts includes tensile yield,flexural yield,and shear twist,leading to obvious concrete lining damage,particularly at the vault,arch bottom,and hance,indicating that the joints in these positions are weak areas.The shield tunnel orthogonal to the ground fissure ultimately experiences shear failure,suggesting that the maximum actual dislocation of ground fissure that the structure can withstand is approximately 20 cm,and five segment rings in the hanging wall and six segment rings in the footwall also need to be reinforced.This study could provide a reference for metro design in ground fissure sites.展开更多
The increasing throughput of experiments in biomaterials research makes automatic techniques more and more necessary.Among all the characterization methods,microscopy makes fundamental contributions to biomaterials sc...The increasing throughput of experiments in biomaterials research makes automatic techniques more and more necessary.Among all the characterization methods,microscopy makes fundamental contributions to biomaterials science where precisely focused images are the basis of related research.Although automatic focusing has been widely applied in all kinds of microscopes,defocused images can still be acquired now and then due to factors including background noises of materials and mechanical errors.Herein,we present a deep-learning-based method for the automatic sorting and reconstruction of defocused cell images.First,the defocusing problem is illustrated on a high-throughput cell microarray.Then,a comprehensive dataset of phase-contrast images captured from varied conditions containing multiple cell types,magnifications,and substrate materials is prepared to establish and test our method.We obtain high accuracy of over 0.993 on the dataset using a simple network architecture that requires less than half of the training time compared with the classical ResNetV2 architecture.Moreover,the subcellular-level reconstruction of heavily defocused cell images is achieved with another architecture.The applicability of the established workflow in practice is finally demonstrated on the high-throughput cell microarray.The intelligent workflow does not require a priori knowledge of focusing algorithms,possessing widespread application value in cell experiments concerning high-throughput or time-lapse imaging.展开更多
The development of new engineering alloy chemistries and heat treatments is a time-consuming and iterative process.Here,a hybrid approach of the high-throughput precipitation simulations and decisive experiments is de...The development of new engineering alloy chemistries and heat treatments is a time-consuming and iterative process.Here,a hybrid approach of the high-throughput precipitation simulations and decisive experiments is developed to optimize the composition and manipulate the microstructure of Al-Zn-Mg-Cu alloys to achieve the expected yield strength and elongation.For that purpose,a multi-class Kampmann-Wagner numerical(KWN)framework is established and the contributions to precipitation kinetics and strength from primary phases and precipitates formed before age hardening are introduced for the first time.The composition/process-structure-property relationship of Al-Zn-Mg-Cu alloys is pre-sented and discussed in detail.Coupled with thermodynamic calculations,two concentration-optimized Al-Zn-Mg-Cu alloys with expected high yield strength and long elongation are designed,prepared,and characterized.The excellent strength and elongation of the designed alloys and the good agreement between the measured and model-predicted mechanical properties for these two alloys underscores the remarkable predictive power of the presently developed material design strategy.This work establishes a novel material design strategy for rapidly exploring the compositional space and investigating the effects of composition and heat treatment on the microstructure and performance of ultrahigh strength Al alloys and other materials.展开更多
Based on simplified calculations of one-dimensional wave systems,loading pressure platform curves of Al-Cu gradient materials(GMs)impactor were designed.The Al-Cu GMs were prepared using tape-pressing sintering,and th...Based on simplified calculations of one-dimensional wave systems,loading pressure platform curves of Al-Cu gradient materials(GMs)impactor were designed.The Al-Cu GMs were prepared using tape-pressing sintering,and their acoustic properties were characterized to match the design path.The parallelism of the Al-Cu GM was confirmed using a three-dimensional surface profilometry machine.A one-stage light-gas gun was used to launch the Al-Cu GM,impacting an Al-LiF target at a velocity of 400 m/s.The results of the experimental strain rate demonstrate that the Al-Cu GMs can realize the precise control of the strain rate within the range of 10^(4)‒10^(5)/s in the high-speed impact experiments.展开更多
A spice formulation study in Burkina Faso was carried out using local ingredients for the benefit of households. The objective of this study was to propose some spice formulations based on local ingredients in order t...A spice formulation study in Burkina Faso was carried out using local ingredients for the benefit of households. The objective of this study was to propose some spice formulations based on local ingredients in order to reduce the use of chemical spices in the preparation of different dishes. The Design of Experiments (DOE) methodology was used for the formulation of the spices and their physicochemical, nutritional and sensory characteristics were evaluated by standardized and standard methods. The results obtained showed lipid contents (g/100 g DM) ranging from 10.41 ± 0.26 to 15.64 ± 0.68, total sugars from 4.39 ± 0.32 to 5.46 ± 0.31, protein from 3.65 ± 0.17 to 12.04 ± 0.35 and ash from 5.83 ± 0.01 to 7.02 ± 0.01. The polyphenol content ranged from 9.09 ± 1.60 to 11.33 ± 0.90, and the flavonoid content ranged from 0.65 ± 0.03 to 1.08 ± 0.13. The sensory analysis carried out showed that the spices have generally satisfactory organoleptic characteristics. These results constitute new information in the diet of populations and are an alternative to the chemical spices used in their cooking.展开更多
Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is...Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion effi-ciency of solar energy.In the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efficiency photocatalysts.In this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefficiency of the traditional“trial and error”method.Sub-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in detail.On the basis of the current experimental progress in photocatalysis,we also exemplified the various challenges associated with high-throughput computational screening strategies.Finally,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.展开更多
In this work,the selected icebreaker model experiment is performed in a towing tank.We focus on the influence of seawater salinity on ship ice resistance in the ice floe field and the innovative ice model and ship mod...In this work,the selected icebreaker model experiment is performed in a towing tank.We focus on the influence of seawater salinity on ship ice resistance in the ice floe field and the innovative ice model and ship model test technology,including the similitude rule of ship model tests,test principles,and validation with full-scale ship data.A formula for calculating the relationship between the temperature and salinity of the water is constructed,which can be used to simulate the role of seawater in freshwater ice pools.On this basis,the effect of salinity on the resistance of ships sailing in broken ice fields is studied.A technique in which artificial ice made of polyethylene spheres is used to simulate ice resistance is proposed.With a series of ship model experiments in spherical and triangular ice fields,the effects of salinity and velocity on the ice resistance test of the ship model are analyzed.A relationship of the ice resistance of the ship model to the spherical ice field and the triangular ice field is proposed.The conversion results are consistent with onsite data of the full-size ship,which verifies the method of converting the test results of the ship model to the prototype.展开更多
基金supported by the Special Project of National Natural Science Foundation(42341204)the the National Natural Science Foundation of China(W2411009).
文摘The integration of artificial intelligence (AI) with high-throughput experimentation (HTE) techniques is revolutionizing catalyst design, addressing challenges in efficiency, cost, and scalability. This review explores the synergistic application of AI and HTE, highlighting their role in accelerating catalyst discovery, optimizing reaction parameters, and understanding structure-performance relationships. HTE facilitates the rapid preparation, characterization, and evaluation of diverse catalyst formulations, generating large datasets essential for AI model training. Machine learning algorithms, including regression models, neural networks, and active learning frameworks, analyze these datasets to uncover the underlying relationships between the data, predict performance, and optimize experimental workflows in real-time. Case studies across heterogeneous, homogeneous, and electrocatalysis demonstrate significant advancements, including improved reaction selectivity, enhanced material stability, and shorten discovery cycles. The integration of AI with HTE has significantly accelerated discovery cycles, enabling the optimization of catalyst formulations and reaction conditions. Despite these achievements, challenges remain, including reliance on researcher expertise, real-time adaptability, and the complexity of large-scale data analysis. Addressing these limitations through refined experimental protocols, standardized datasets, and interpretable AI models will unlock the full potential of AI-HTE integration.
基金supported by the National Key R&D Program of China(No.2022YFB3505700)the National Natural Science Foundation of China(No.51901079)+4 种基金Guangdong Science and Technology Program(No.2023A0505050145)the Natural Science Foundation of Guangdong Province(Nos.2024A1515030178,2020A1515010736 and 2021A1515010451)Guangzhou Municipal Science and Technology Program(No.202007020008)the Fundamental Research Funds for the Central Universities,the Opening Project of National Engineering Research Center for Powder Metallurgy of Titanium&Rare Metals,the Fundamental Research Funds for the Central Universities and Zhongshan Municipal Science and Technology Program(No.191007102629094)Zhongshan Collaborative Innovation Fund(No.2018C1001).
文摘Sm–Co-based films play an irreplaceable role in special applications due to their high curie temperature and magnetocrystalline anisotropic energy,especially in heat-assisted magnetic recording(HAMR),but the complex composition of Sm–Co phase and unclear synergistic coupling mechanisms of multi-elemental doping become the challenges to enhance the properties.In this work,a novel strategy combining magnetron sputtering and a high-throughput experiment method is applied to solve the above-mentioned problems.Fe/Cu co-doping highly increases the remanence while maintaining a coercivity larger than 26 kOe,leading to an enhancement of the magnetic energy product to 18.1 MGOe.X-ray diffraction(XRD)and high-resolution transmission electron microscope(HRTEM)reveals that SmCo_(5) phase occupies the major fraction,with Co atoms partially substituted by Fe and Cu atoms.In situ Lorentz transmission electron microscopy(LTEM)observations show that the Sm(Co,Cu)5 phase effectively prohibits domain wall motions,leading to an increase of coercivity(H_(c)).Fe doping increases the low saturation magnetization(M_(s))and low remanence(Mr)due to the Fe atom having a higher saturation magnetic moment.The magnetization reversal behaviors are further verified by micromagnetic simulations.Our results suggest that Sm–Co-based films prepared via Fe/Cu co-doping could be a promising candidate for high-performed HAMR in the future.
基金the financial support of the National KeyR&DProgram of China(No.2021YFB3702401)Major Program of the National Natural Science Foundation of China(No.52293394)the National Natural Science Foundation of China(No.51831002).
文摘A combinatorial high-throughput experiment(HTE)was used to optimize composition and process of nickel-saving cryogenic steel.A gradient temperature heat treatment method with a high linear distribution of heat treatment temperature using customized graphite sleeve direct current heating was used in the combinatorial HTE,which enhanced the richness of the sample library for the single preparation of the 10^(2) level component process variables.Cryogenic steel with excellent mechanical properties was optimized using this combinatorial HTE,and the Ni content was reduced from the traditional 9 to 5.6 wt.%by using Mn instead of Ni.The heterogeneous structure architecture strategy and strengthening and toughening mechanism of the harmonic structure induced by intrinsic heat treatment of additive manufacturing were revealed.Taking the composition process optimization of Ni-saving cryogenic steel as an example,the boosting ability of combinatorial HTE in the research and development of new metal materials was proposed.
基金financial supports from the National Key R&D Program of China (No.2023YFB3712400)National Natural Science Foundation of China (No.52371040)Joint Fund for Regional Innovation of Hunan Provincial Natural Science Foundation,China (No.2023JJ50333)。
文摘Ti alloys,as leading lightweight and high-strength metallic materials,exhibit significant application potential in aerospace,marine engineering,biomedical,and other industries.However,the lack of fundamental understanding of the microstructure−property relationship results in prolonged research and development(R&D)cycles,hindering the optimization of the performance of Ti alloys.Recently,the advent of high-throughput experimental(HTE)technology has shown promise in facilitating the efficient and demand-driven development of next-generation Ti alloys.This work reviews the latest advancements in HTE technology for Ti alloys.The high-throughput preparation(HTP)techniques commonly used in the fabrication of Ti alloys are addressed,including diffusion multiple,additive manufacturing(AM),vapor deposition and others.The current applications of high-throughput characterization(HTC)techniques in Ti alloys are shown.Finally,the research achievements in HTE technology for Ti alloys are summarized and the challenges faced in their industrial application are discussed.
基金supported by the National Natural Science Foundation of China(22372044,22393892,22002169,22071249)the Guangdong Basic and Applied Basic Research Foundation(2024A1515012583,2019A1515111111)the Major Program of Guangzhou National Laboratory(GZNL2023A02012)。
文摘Herein,we report a novel and highly efficient method for the synthesis ofα-phosphoryloxy carbonyl compounds via Rucatalyzed P(O)O–H insertion reactions of sulfoxonium ylides and phosphinic acids,with the assistance of high-throughput experimentation(HTE)and machine learning(ML).A variety of P(O)O−H derivatives,including diarylphosphates,alkyl phosphates,and alkoxyphosphates,are competent candidates to react with sulfoxonium ylides in this transformation,and variousα-phosphoryloxy carbonyls and propylene phosphates are directly constructed.This approach utilizes readily available sulfoxonium ylide as a carbene precursor,and features mild conditions,operational simplicity,and broad functional groups tolerance,and could be used for late-stage functionalization of structurally complex bioactive molecules.Moreover,a conducive exploration of the reaction space is also conducted(756 reactions)and a machine learning model for reaction yield prediction has been developed and applied,showcasing the practical application of this newly workflow(HTE-ML)in the field of synthetic chemistry.
基金supported by the National Key Research and Development Program of China(2023YFB3712500)the National Natural Science Foundation of China(52273142,52033005,U23A20583)the Science and Technology Department of Sichuan Province(2024NSFTD0003).
文摘Polymer crystallization,an everlasting subject in polymeric materials,holds great significance not only as a fundamental theoretical issue but also as a pivotal basis for directing polymer processing.Given its multistep,rapid,and thermodynamic nature,tracing and comprehending polymer crystallization pose a formidable challenge,particularly when it encounters practical processing scenarios that involve complex coupledfields(such as temperature,flow,and pressure).The advent of high-time and spatially resolved experiments paves the way for in situ investigations of polymer crystallization.In this review,we delve into the strides in studying polymer crystallization under the effects of coupled externalfields via state-of-the-art high-throughput experiments.We highlight the intricate setup of these high-throughput experimental devices,spanning from the laboratory and pilot levels to the industrial level.The individual and combined effects of externalfields on polymer crystallization are discussed.By breaking away from the conventional“black box”research approach,special interest is paid to the in situ crystalline behavior of polymers during realistic processing.Finally,we underscore the advancements in polymer crystallization via high-throughput experiments and outline its promising development.
基金supported by the National Key Research and Development Program of China(2018YFB0703600 and 2018YFA0702100)the National Natural Science Foundation of China(51772186,51632005 and 51371194)。
文摘High-throughput(HTP)experiments play key roles in accelerating the discovery of advanced materials,but the HTP preparation and characterization,especially for bulk samples,are extremely difficult.In this work,we developed a novel and general strategy for HTP screening of high-performance bulk thermoelectric materials.The performed fullchain HTP experiments cover rapid synthesis of the bulk sample with quasi-continuous composition,microarea phase identification and structure analysis,and measurement of the spatial distribution of the sample composition,electrical and thermal transport properties.According to our experiments,bulk Bi_(2-x)Sb_(x)Te_(3)(x=1-2)and Bi_(2)Te_(3-x)Se_(x)(x=0-1.5)samples with quasi-continuous compositions have been rapidly fabricated by this HTP method.The target thermoelectric materials with the best Sb/Bi and Te/Se ratios are successfully screened out based on subsequent HTP characterization results,demonstrating that this HTP technique is effective in speeding up the exploration of novel high-performance thermoelectric materials.
基金support by the National Key Research and Development Program of China(grant no.2018YFA0703600)the National Natural Science Foundation of China(grant no.51825104).
文摘Materials genome engineering(MGE)has been successfully applied in various fields,resulting in a series of novel materials with excellent performance.Significant progress has been made in high-throughput simulation,experimentation,and data-driven techniques,enabling the effective prediction,rapid synthesis,and characterization of many classes of materials.In this brief review,we introduce the achievements made in the field of metallic glasses(MGs)using MGE,in particular high-throughput experimentation and data-driven approaches.High-throughput experiments help to efficiently synthesize and characterize many materials in a short period of time,enabling the construction of high-quality material databases for data-driven methods.Paired with machine learning,potential alloys of desired properties may be revealed and predicted.Along with the progress in computational power and algorithms of machine learning,the complex composition-structure-properties relationship is hopefully established,which in turn help efficient and precise prediction of new MGs.
基金supported by the National Science and Technology Resources Investigation Program of China(Grant No.2021FY100603,2019FY101404).
文摘High-throughput experimental techniques can accelerate and economize corrosion evaluation,and thus,have great potential in the development of new materials for corrosion protection such as corrosion-resistant metals,corrosion inhibitors,and anticorrosion coatings.This concise review highlights high-throughput experimental techniques that have been recently applied for corrosion research,including(i)the high-throughput preparation of metal samples in the form of thin films or bulk materials,(ii)high-throughput experiments based on corrosive solutions with independent or gradient parameters,(iii)high-throughput evaluation of changes in physicochemical properties,and(iv)high-throughput corrosion evaluation by electrochemical methods.To advance automated and intelligent corrosion research,future directions for the development of the high-throughput corrosion experimental and characterization techniques are also discussed.
文摘1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In most cases,exploration of new and alternative battery materials starts from known literature and follows time-consuming trial-and-error experimental
文摘1.Summary and Scope Advanced batteries play a key role in the development of portable and wearable electronics,electric and hybrid vehicles,smart grids and back-up power sources,and many more emerging applications.In most cases,exploration of new and alternative battery materials starts from known literature and follows time-consuming trial-and-error experimental or modeling approaches.The Materials Genome Initiative was
基金supported by the Shanghai Sailing Program(Grant No.17YF1405700)the Shanghai Pujiang Program(Grant No.17PJ1402800)+2 种基金the National Natural Science Foundation of China(Grant No.21705106)the support of the Shanghai Institute of Materials Genome from the Shanghai Municipal Science,and the Technology Commissionthe Program for Professor of Special Appointment(Eastern Scholar)at the Shanghai Institution of Higher Learning(Grant No.TP2016023)
文摘Since the Material Genome Initiative(MGI) was proposed, high-throughput based technology has been widely employed in various fields of materials science. As a theoretical guide, material informatics has been introduced based on machine learning and data mining and high-throughput computation has been employed for large scale search, narrowing down the scope of the experiment trials. High-throughput materials experiments including synthesis, processing, and characterization technologies have become valuable research tools to pin down the prediction experimentally, enabling the discovery-to-deployment of advances materials more efficiently at a fraction of cost. This review aims to summarize the recent advances of high-throughput materials experiments and introduce briefly the development of materials design based on material genome concept. By selecting representative and classic works in the past years, various high-throughput preparation methods are introduced for different types of material gradient libraries, including metallic, inorganic materials, and polymers. Furthermore, high-throughput characterization approaches are comprehensively discussed, including both their advantages and limitations. Specifically, we focus on high-throughput mass spectrometry to analyze its current status and challenges in the application of catalysts screening.
基金This work was financially supported by research grants from the Natural Science Foundation of China(Nos.12004057,62074022,52173235)Support plan for Overseas Students to Return to China for Entrepreneurship and Innovation(No.cx2020075)+3 种基金Open Fund of Key Laboratory of Low-grade Energy Utilization Technologies and Systems(No.LLEUTS-2020008)Chongqing Funds for Distinguished Young Scientists(No.cstc2021jcyj-jqX0015)Chongqing Talent Plan(No.CQYC2021059206)Fundamental Research Funds for the Central Universities(No.2020CDJQY-A055).
文摘Aqueous zinc ion batteries(AZIBs)have attracted much attention in recent years due to their high safety,low cost,and decent electrochemical performance.However,the traditional electrodes development process requires tedious synthesis and testing procedures,which reduces the efficiency of developing highperformance battery devices.Here,we proposed a high-throughput screening strategy based on firstprinciples calculations to aid the experimental development of high-performance spinel cathode materials for AZIBs.We obtained 14 spinel materials from 12,047 Mn/Zn-O based materials by examining their structures and whether they satisfy the basic properties of electrodes.Then their band structures and density of states,open circuit voltage and volume expansion rate,ionic diffusion coefficient and energy barrier were further evaluated by first-principles calculations,resulting in five potential candidates.One of the promising candidates identified,Mg_(2)MnO_(4),was experimentally synthesized,characterized and integrated into an AZIB based cell to verify its performance as a cathode.The Mg_(2)MnO_(4)cathode exhibits excellent cycling stability,which is consistent with the theoretically predicted low volume expansion.Moreover,at high current density,the Mg_(2)MnO_(4)cathode still exhibits high reversible capacity and excellent rate performance,indicating that it is an excellent cathode material for AZIBs.Our work provides a new approach to accelerate the development of high-performance cathodes for AZIBs and other ion batteries.
基金supported by the National Key Research&Development Program of China(Grant No.2023YFC3008404)the Key Laboratory of Earth Fissures Geological Disaster,Ministry of Natural Resources,China(Grant Nos.EFGD20240609 and EFGD20240610).
文摘The recent upsurge in metro construction emphasizes the necessity of understanding the mechanical performance of metro shield tunnel subjected to the influence of ground fissures.In this study,a largescale experiment,in combination with numerical simulation,was conducted to investigate the influence of ground fissures on a metro shield tunnel.The results indicate that the lining contact pressure at the vault increases in the hanging wall while decreases in the footwall,resulting in a two-dimensional stress state of vertical shear and axial tension-compression,and simultaneous vertical dislocation and axial tilt for the segments around the ground fissure.In addition,the damage to curved bolts includes tensile yield,flexural yield,and shear twist,leading to obvious concrete lining damage,particularly at the vault,arch bottom,and hance,indicating that the joints in these positions are weak areas.The shield tunnel orthogonal to the ground fissure ultimately experiences shear failure,suggesting that the maximum actual dislocation of ground fissure that the structure can withstand is approximately 20 cm,and five segment rings in the hanging wall and six segment rings in the footwall also need to be reinforced.This study could provide a reference for metro design in ground fissure sites.
基金supported by the National Key Research and Development Program of China(2017YFB0702500)the National Natural Science Foundation of China(51933009,21875210)+1 种基金the Fundamental Research Funds for the Central Universities(2020FZZX003-01-03)Zhejiang Provincial Ten Thousand Talents Program(2018R52001).
文摘The increasing throughput of experiments in biomaterials research makes automatic techniques more and more necessary.Among all the characterization methods,microscopy makes fundamental contributions to biomaterials science where precisely focused images are the basis of related research.Although automatic focusing has been widely applied in all kinds of microscopes,defocused images can still be acquired now and then due to factors including background noises of materials and mechanical errors.Herein,we present a deep-learning-based method for the automatic sorting and reconstruction of defocused cell images.First,the defocusing problem is illustrated on a high-throughput cell microarray.Then,a comprehensive dataset of phase-contrast images captured from varied conditions containing multiple cell types,magnifications,and substrate materials is prepared to establish and test our method.We obtain high accuracy of over 0.993 on the dataset using a simple network architecture that requires less than half of the training time compared with the classical ResNetV2 architecture.Moreover,the subcellular-level reconstruction of heavily defocused cell images is achieved with another architecture.The applicability of the established workflow in practice is finally demonstrated on the high-throughput cell microarray.The intelligent workflow does not require a priori knowledge of focusing algorithms,possessing widespread application value in cell experiments concerning high-throughput or time-lapse imaging.
基金supported by the National Key Research and Development Program of China(No.2018YFB0704003)the Funds for International Cooperation and Exchange of the National Natural Science Foundation of China(No.51820105001).
文摘The development of new engineering alloy chemistries and heat treatments is a time-consuming and iterative process.Here,a hybrid approach of the high-throughput precipitation simulations and decisive experiments is developed to optimize the composition and manipulate the microstructure of Al-Zn-Mg-Cu alloys to achieve the expected yield strength and elongation.For that purpose,a multi-class Kampmann-Wagner numerical(KWN)framework is established and the contributions to precipitation kinetics and strength from primary phases and precipitates formed before age hardening are introduced for the first time.The composition/process-structure-property relationship of Al-Zn-Mg-Cu alloys is pre-sented and discussed in detail.Coupled with thermodynamic calculations,two concentration-optimized Al-Zn-Mg-Cu alloys with expected high yield strength and long elongation are designed,prepared,and characterized.The excellent strength and elongation of the designed alloys and the good agreement between the measured and model-predicted mechanical properties for these two alloys underscores the remarkable predictive power of the presently developed material design strategy.This work establishes a novel material design strategy for rapidly exploring the compositional space and investigating the effects of composition and heat treatment on the microstructure and performance of ultrahigh strength Al alloys and other materials.
基金Natural Science Foundation of Hubei Province(2024AFB432)National Natural Science Foundation of China(52171045,12302436,52302095)Research Fund of Jianghan University(2023JCYJ05)。
文摘Based on simplified calculations of one-dimensional wave systems,loading pressure platform curves of Al-Cu gradient materials(GMs)impactor were designed.The Al-Cu GMs were prepared using tape-pressing sintering,and their acoustic properties were characterized to match the design path.The parallelism of the Al-Cu GM was confirmed using a three-dimensional surface profilometry machine.A one-stage light-gas gun was used to launch the Al-Cu GM,impacting an Al-LiF target at a velocity of 400 m/s.The results of the experimental strain rate demonstrate that the Al-Cu GMs can realize the precise control of the strain rate within the range of 10^(4)‒10^(5)/s in the high-speed impact experiments.
文摘A spice formulation study in Burkina Faso was carried out using local ingredients for the benefit of households. The objective of this study was to propose some spice formulations based on local ingredients in order to reduce the use of chemical spices in the preparation of different dishes. The Design of Experiments (DOE) methodology was used for the formulation of the spices and their physicochemical, nutritional and sensory characteristics were evaluated by standardized and standard methods. The results obtained showed lipid contents (g/100 g DM) ranging from 10.41 ± 0.26 to 15.64 ± 0.68, total sugars from 4.39 ± 0.32 to 5.46 ± 0.31, protein from 3.65 ± 0.17 to 12.04 ± 0.35 and ash from 5.83 ± 0.01 to 7.02 ± 0.01. The polyphenol content ranged from 9.09 ± 1.60 to 11.33 ± 0.90, and the flavonoid content ranged from 0.65 ± 0.03 to 1.08 ± 0.13. The sensory analysis carried out showed that the spices have generally satisfactory organoleptic characteristics. These results constitute new information in the diet of populations and are an alternative to the chemical spices used in their cooking.
基金The authors are grateful for financial support from the National Key Projects for Fundamental Research and Development of China(2021YFA1500803)the National Natural Science Foundation of China(51825205,52120105002,22102202,22088102,U22A20391)+1 种基金the DNL Cooperation Fund,CAS(DNL202016)the CAS Project for Young Scientists in Basic Research(YSBR-004).
文摘Photocatalysis,a critical strategy for harvesting sunlight to address energy demand and environmental concerns,is underpinned by the discovery of high-performance photocatalysts,thereby how to design photocatalysts is now generating widespread interest in boosting the conversion effi-ciency of solar energy.In the past decade,computational technologies and theoretical simulations have led to a major leap in the development of high-throughput computational screening strategies for novel high-efficiency photocatalysts.In this viewpoint,we started with introducing the challenges of photocatalysis from the view of experimental practice,especially the inefficiency of the traditional“trial and error”method.Sub-sequently,a cross-sectional comparison between experimental and high-throughput computational screening for photocatalysis is presented and discussed in detail.On the basis of the current experimental progress in photocatalysis,we also exemplified the various challenges associated with high-throughput computational screening strategies.Finally,we offered a preferred high-throughput computational screening procedure for pho-tocatalysts from an experimental practice perspective(model construction and screening,standardized experiments,assessment and revision),with the aim of a better correlation of high-throughput simulations and experimental practices,motivating to search for better descriptors.
基金financially supported by Jiangsu Province University(High Tech Ship)Collaborative Innovation Center(Grant No.XTCXKY20230008).
文摘In this work,the selected icebreaker model experiment is performed in a towing tank.We focus on the influence of seawater salinity on ship ice resistance in the ice floe field and the innovative ice model and ship model test technology,including the similitude rule of ship model tests,test principles,and validation with full-scale ship data.A formula for calculating the relationship between the temperature and salinity of the water is constructed,which can be used to simulate the role of seawater in freshwater ice pools.On this basis,the effect of salinity on the resistance of ships sailing in broken ice fields is studied.A technique in which artificial ice made of polyethylene spheres is used to simulate ice resistance is proposed.With a series of ship model experiments in spherical and triangular ice fields,the effects of salinity and velocity on the ice resistance test of the ship model are analyzed.A relationship of the ice resistance of the ship model to the spherical ice field and the triangular ice field is proposed.The conversion results are consistent with onsite data of the full-size ship,which verifies the method of converting the test results of the ship model to the prototype.
