Logistic regression models for binary response problems are present in a wide variety of industrial, biological, social and medical experiments;therefore, optimum designs are a valuable tool for experimenters, leading...Logistic regression models for binary response problems are present in a wide variety of industrial, biological, social and medical experiments;therefore, optimum designs are a valuable tool for experimenters, leading to estimators of parameters with minimum variance. Our interest in this contribution is to provide explicit formulae for the D-optimal designs as a function of the unknown parameters for the logistic model where q is an indicator variable. We have considered an experiment based on the dose-response to a fly insecticide in which males and females respond in different ways, proposed in Atkinson et al. (1995) [1]. To find the D-optimal designs, this problem has been reduced to a canonical form.展开更多
This paper considers a linear regression model involving both quantitative and qualitative factors and an m-dimensional response variable y. The main purpose of this paper is to investigate D-optimal designs when the ...This paper considers a linear regression model involving both quantitative and qualitative factors and an m-dimensional response variable y. The main purpose of this paper is to investigate D-optimal designs when the levels of the qualitative factors interact with the levels of the quantitative factors. Under a general covariance structure of the response vector y, here we establish that the determinant of the information matrix of a product design can be separated into two parts corresponding to the two marginal designs. Moreover, it is also proved that D-optimal designs do not depend on the covariance structure if we assume hierarchically ordered system of regression models.展开更多
This paper investigates the optimal design problem for the prediction of the individual parameters in hierarchical linear models with heteroscedastic errors.An equivalence theorem is established to characterize D-opti...This paper investigates the optimal design problem for the prediction of the individual parameters in hierarchical linear models with heteroscedastic errors.An equivalence theorem is established to characterize D-optimality of designs for the prediction based on the mean squared error matrix.The admissibility of designs is also considered and a sufficient condition to simplify the design problem is obtained.The results obtained are illustrated in terms of a simple linear model with random slope and heteroscedastic errors.展开更多
[Objectives] To study the optimal proportion and formulation process of Jinweng granule,the physicochemical properties of the optimal preparing process was observed. [Methods] Adopting the D-optimal mixture design met...[Objectives] To study the optimal proportion and formulation process of Jinweng granule,the physicochemical properties of the optimal preparing process was observed. [Methods] Adopting the D-optimal mixture design method,selecting the mixing ratio of starch,dextrin,fumei powder and lactose as tested factors,and selecting the most significant factor between hygroscopicity,formability,solubility as the evaluation index,the optimal proportion of filler was examined by system experiments. Granularity,solubility,the angle of repose,and critical relative humidity( CRH) were used to evaluate the optimal proportion and formulation process of Jinweng granule. [Results]The optimal prescription of Jinweng granule is extract∶ starch∶ dextrin∶ lactose∶ fumei powder( 1∶ 0. 5∶ 0. 05∶ 0. 3∶ 0. 15),and the binder was consisted of 1% sodium carboxymethylcellulose( CMC) slurry and 3% starch syrup. The CRH of the optimum formulation process of granule is 72%,and the fluidity,solubility and granularity were qualified. [Conclusions] The process model established by D-optimum mixture design has good predictability,and the granule prepared by the optimal proportion has good repeatability,and the granule proportion and formulation process is stable and reliable.展开更多
An optimized formulation of a sustained release tablet of Gliclazide was developed. The use of Doptimal design with a polynomial statistical model to analyze dissolution data reduced the number of laboratory tests req...An optimized formulation of a sustained release tablet of Gliclazide was developed. The use of Doptimal design with a polynomial statistical model to analyze dissolution data reduced the number of laboratory tests required to obtain an optimal dosage form. The final formulation contained 22 mg of Methocel®E15LV, 16.5 mg Methocel®E15 and 10.0 mg of Dibasic Calcium Phosphate per 30 mg Gliclazide sustained release tablet. Dissolution studies performed on tablets from 5000 tablet test batches released greater than 90 percent of loaded drug in eight hours. Drug release from the optimized tablets followed a pattern more closely similar to zero-order than other mechanisms of drug release tested. Storage of tablets in accelerated and ambient conditions for 6 and 12 months respectively did not alter any of the physico-chemical properties, drug release or the drug release rate compared to initial observations and dissolution data of the prepared tablets. The addition of potassium phosphate and monosodium phosphate to the tablet reduced the effect pH has on Gliclazide dissolution compared to the commercially available product.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
Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as ...Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as industry,automotive,construction,machinery,and interdisciplinary research.However,there are established optimization techniques that have shown effectiveness in addressing these types of issues.This research paper gives a comparative study of the implementation of seventeen new metaheuristic methods in order to optimize twelve distinct engineering design issues.The algorithms used in the study are listed as:transient search optimization(TSO),equilibrium optimizer(EO),grey wolf optimizer(GWO),moth-flame optimization(MFO),whale optimization algorithm(WOA),slimemould algorithm(SMA),harris hawks optimization(HHO),chimp optimization algorithm(COA),coot optimization algorithm(COOT),multi-verse optimization(MVO),arithmetic optimization algorithm(AOA),aquila optimizer(AO),sine cosine algorithm(SCA),smell agent optimization(SAO),and seagull optimization algorithm(SOA),pelican optimization algorithm(POA),and coati optimization algorithm(CA).As far as we know,there is no comparative analysis of recent and popular methods against the concrete conditions of real-world engineering problems.Hence,a remarkable research guideline is presented in the study for researchersworking in the fields of engineering and artificial intelligence,especiallywhen applying the optimization methods that have emerged recently.Future research can rely on this work for a literature search on comparisons of metaheuristic optimization methods in real-world problems under similar conditions.展开更多
The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep ...The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep learning with knowledge graph.Specifically,the design knowledge acquisition method utilises the knowledge extraction model to extract design-related entities and relations from fragmentary data,and further constructs the knowledge graph to support design knowledge acquisition for conceptual product design.Moreover,the knowledge extraction model introduces ALBERT to solve memory limitation and communication overhead in the entity extraction module,and uses multi-granularity information to overcome segmentation errors and polysemy ambiguity in the relation extraction module.Experimental comparison verified the effectiveness and accuracy of the proposed knowledge extraction model.The case study demonstrated the feasibility of the knowledge graph construction with real fragmentary porcelain data and showed the capability to provide designers with interconnected and visualised design knowledge.展开更多
Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research an...Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.展开更多
Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilizat...Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel materials.Simultaneously,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering challenge.Developing high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical implications.This ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel sector.Based on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen traps.It also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance.展开更多
Using quantum algorithms to solve various problems has attracted widespread attention with the development of quantum computing.Researchers are particularly interested in using the acceleration properties of quantum a...Using quantum algorithms to solve various problems has attracted widespread attention with the development of quantum computing.Researchers are particularly interested in using the acceleration properties of quantum algorithms to solve NP-complete problems.This paper focuses on the well-known NP-complete problem of finding the minimum dominating set in undirected graphs.To expedite the search process,a quantum algorithm employing Grover’s search is proposed.However,a challenge arises from the unknown number of solutions for the minimum dominating set,rendering direct usage of original Grover’s search impossible.Thus,a swap test method is introduced to ascertain the number of iterations required.The oracle,diffusion operators,and swap test are designed with achievable quantum gates.The query complexity is O(1.414^(n))and the space complexity is O(n).To validate the proposed approach,qiskit software package is employed to simulate the quantum circuit,yielding the anticipated results.展开更多
Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing ...Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial utilization.With the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg alloys.This paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought alloys.RBOALM employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy combinations.This model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design process.Leveraging RBOALM,several new high-performance alloys have been successfully designed and prepared.Notably,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture elongation.Furthermore,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation.展开更多
With the full growth of energy needs in the world, several studies are now focused on finding renewable sources. The aim of this work is to optimise biofuel formulation from a mixture design by studying physical prope...With the full growth of energy needs in the world, several studies are now focused on finding renewable sources. The aim of this work is to optimise biofuel formulation from a mixture design by studying physical properties, such as specific gravity and kinematic viscosity of various formulated mixtures. Optimization from the mixture plan revealed that in the chosen experimental domain, the optimal conditions are: 40% for used frying oil (UFO), 50% for bioethanol and 10% for diesel. These experimental conditions lead to a biofuel with a density of 0.84 and a kinematic viscosity of 2.97 cSt. These parameters are compliant with the diesel quality certificate in tropical areas. These density and viscosity values were determined according to respective desirability values of 0.68 and 0.75.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
文摘Logistic regression models for binary response problems are present in a wide variety of industrial, biological, social and medical experiments;therefore, optimum designs are a valuable tool for experimenters, leading to estimators of parameters with minimum variance. Our interest in this contribution is to provide explicit formulae for the D-optimal designs as a function of the unknown parameters for the logistic model where q is an indicator variable. We have considered an experiment based on the dose-response to a fly insecticide in which males and females respond in different ways, proposed in Atkinson et al. (1995) [1]. To find the D-optimal designs, this problem has been reduced to a canonical form.
基金supported by the National Natural Science Foundation of China (Nos.11971318, 11871143)the Fundamental Research Funds for the Central Universities (No.2232020D-38)。
文摘This paper considers a linear regression model involving both quantitative and qualitative factors and an m-dimensional response variable y. The main purpose of this paper is to investigate D-optimal designs when the levels of the qualitative factors interact with the levels of the quantitative factors. Under a general covariance structure of the response vector y, here we establish that the determinant of the information matrix of a product design can be separated into two parts corresponding to the two marginal designs. Moreover, it is also proved that D-optimal designs do not depend on the covariance structure if we assume hierarchically ordered system of regression models.
基金supported by NSFC Grant(11871143,11971318)the Fundamental Research Funds for the Central UniversitiesShanghai Rising-Star Program(No.20QA1407500).
文摘This paper investigates the optimal design problem for the prediction of the individual parameters in hierarchical linear models with heteroscedastic errors.An equivalence theorem is established to characterize D-optimality of designs for the prediction based on the mean squared error matrix.The admissibility of designs is also considered and a sufficient condition to simplify the design problem is obtained.The results obtained are illustrated in terms of a simple linear model with random slope and heteroscedastic errors.
基金Supported by Public Welfare and Industry Special Fund Project of the Ministry of Agriculture(201303040-05)Natural Science Foundation Project of CQCSTC(2013FYF110600)
文摘[Objectives] To study the optimal proportion and formulation process of Jinweng granule,the physicochemical properties of the optimal preparing process was observed. [Methods] Adopting the D-optimal mixture design method,selecting the mixing ratio of starch,dextrin,fumei powder and lactose as tested factors,and selecting the most significant factor between hygroscopicity,formability,solubility as the evaluation index,the optimal proportion of filler was examined by system experiments. Granularity,solubility,the angle of repose,and critical relative humidity( CRH) were used to evaluate the optimal proportion and formulation process of Jinweng granule. [Results]The optimal prescription of Jinweng granule is extract∶ starch∶ dextrin∶ lactose∶ fumei powder( 1∶ 0. 5∶ 0. 05∶ 0. 3∶ 0. 15),and the binder was consisted of 1% sodium carboxymethylcellulose( CMC) slurry and 3% starch syrup. The CRH of the optimum formulation process of granule is 72%,and the fluidity,solubility and granularity were qualified. [Conclusions] The process model established by D-optimum mixture design has good predictability,and the granule prepared by the optimal proportion has good repeatability,and the granule proportion and formulation process is stable and reliable.
文摘An optimized formulation of a sustained release tablet of Gliclazide was developed. The use of Doptimal design with a polynomial statistical model to analyze dissolution data reduced the number of laboratory tests required to obtain an optimal dosage form. The final formulation contained 22 mg of Methocel®E15LV, 16.5 mg Methocel®E15 and 10.0 mg of Dibasic Calcium Phosphate per 30 mg Gliclazide sustained release tablet. Dissolution studies performed on tablets from 5000 tablet test batches released greater than 90 percent of loaded drug in eight hours. Drug release from the optimized tablets followed a pattern more closely similar to zero-order than other mechanisms of drug release tested. Storage of tablets in accelerated and ambient conditions for 6 and 12 months respectively did not alter any of the physico-chemical properties, drug release or the drug release rate compared to initial observations and dissolution data of the prepared tablets. The addition of potassium phosphate and monosodium phosphate to the tablet reduced the effect pH has on Gliclazide dissolution compared to the commercially available product.
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.
文摘Real-world engineering design problems with complex objective functions under some constraints are relatively difficult problems to solve.Such design problems are widely experienced in many engineering fields,such as industry,automotive,construction,machinery,and interdisciplinary research.However,there are established optimization techniques that have shown effectiveness in addressing these types of issues.This research paper gives a comparative study of the implementation of seventeen new metaheuristic methods in order to optimize twelve distinct engineering design issues.The algorithms used in the study are listed as:transient search optimization(TSO),equilibrium optimizer(EO),grey wolf optimizer(GWO),moth-flame optimization(MFO),whale optimization algorithm(WOA),slimemould algorithm(SMA),harris hawks optimization(HHO),chimp optimization algorithm(COA),coot optimization algorithm(COOT),multi-verse optimization(MVO),arithmetic optimization algorithm(AOA),aquila optimizer(AO),sine cosine algorithm(SCA),smell agent optimization(SAO),and seagull optimization algorithm(SOA),pelican optimization algorithm(POA),and coati optimization algorithm(CA).As far as we know,there is no comparative analysis of recent and popular methods against the concrete conditions of real-world engineering problems.Hence,a remarkable research guideline is presented in the study for researchersworking in the fields of engineering and artificial intelligence,especiallywhen applying the optimization methods that have emerged recently.Future research can rely on this work for a literature search on comparisons of metaheuristic optimization methods in real-world problems under similar conditions.
基金This research is supported by the Chinese Special Projects of the National Key Research and Development Plan(2019YFB1405702).
文摘The acquisition of valuable design knowledge from massive fragmentary data is challenging for designers in conceptual product design.This study proposes a novel method for acquiring design knowledge by combining deep learning with knowledge graph.Specifically,the design knowledge acquisition method utilises the knowledge extraction model to extract design-related entities and relations from fragmentary data,and further constructs the knowledge graph to support design knowledge acquisition for conceptual product design.Moreover,the knowledge extraction model introduces ALBERT to solve memory limitation and communication overhead in the entity extraction module,and uses multi-granularity information to overcome segmentation errors and polysemy ambiguity in the relation extraction module.Experimental comparison verified the effectiveness and accuracy of the proposed knowledge extraction model.The case study demonstrated the feasibility of the knowledge graph construction with real fragmentary porcelain data and showed the capability to provide designers with interconnected and visualised design knowledge.
基金This work is supported by the National Key R&D Program of China(No.2022ZD0117501)the Singapore RIE2020 Advanced Manufacturing and Engineering Programmatic Grant by the Agency for Science,Technology and Research(A*STAR)under grant no.A1898b0043Tsinghua University Initiative Scientific Research Program and Low Carbon En-ergy Research Funding Initiative by A*STAR under grant number A-8000182-00-00.
文摘Membrane technologies are becoming increasingly versatile and helpful today for sustainable development.Machine Learning(ML),an essential branch of artificial intelligence(AI),has substantially impacted the research and development norm of new materials for energy and environment.This review provides an overview and perspectives on ML methodologies and their applications in membrane design and dis-covery.A brief overview of membrane technologies isfirst provided with the current bottlenecks and potential solutions.Through an appli-cations-based perspective of AI-aided membrane design and discovery,we further show how ML strategies are applied to the membrane discovery cycle(including membrane material design,membrane application,membrane process design,and knowledge extraction),in various membrane systems,ranging from gas,liquid,and fuel cell separation membranes.Furthermore,the best practices of integrating ML methods and specific application targets in membrane design and discovery are presented with an ideal paradigm proposed.The challenges to be addressed and prospects of AI applications in membrane discovery are also highlighted in the end.
基金the National Key Research and Development Program of China(No.2022YFB3709000)the National Natural Science Foundation of China(Nos.52201060 and 51922002)+2 种基金the China Postdoctoral Science Foundation(Nos.BX20220035 and 2022M710347)Science Center for Gas Turbine Project(No.P2022-B-IV-008-001)the Open Fund of State Key Laboratory of New Metal Materials,University of Science and Technology Beijing(No.2022Z-18)。
文摘Given the carbon peak and carbon neutrality era,there is an urgent need to develop high-strength steel with remarkable hydrogen embrittlement resistance.This is crucial in enhancing toughness and ensuring the utilization of hydrogen in emerging iron and steel materials.Simultaneously,the pursuit of enhanced metallic materials presents a cross-disciplinary scientific and engineering challenge.Developing high-strength,toughened steel with both enhanced strength and hydrogen embrittlement(HE)resistance holds significant theoretical and practical implications.This ensures secure hydrogen utilization and further carbon neutrality objectives within the iron and steel sector.Based on the design principles of high-strength steel HE resistance,this review provides a comprehensive overview of research on designing surface HE resistance and employing nanosized precipitates as intragranular hydrogen traps.It also proposes feasible recommendations and prospects for designing high-strength steel with enhanced HE resistance.
基金Project supported by the National Natural Science Foundation of China(Grant No.62101600)the Science Foundation of China University of Petroleum,Beijing(Grant No.2462021YJRC008)the State Key Laboratory of Cryptology(Grant No.MMKFKT202109).
文摘Using quantum algorithms to solve various problems has attracted widespread attention with the development of quantum computing.Researchers are particularly interested in using the acceleration properties of quantum algorithms to solve NP-complete problems.This paper focuses on the well-known NP-complete problem of finding the minimum dominating set in undirected graphs.To expedite the search process,a quantum algorithm employing Grover’s search is proposed.However,a challenge arises from the unknown number of solutions for the minimum dominating set,rendering direct usage of original Grover’s search impossible.Thus,a swap test method is introduced to ascertain the number of iterations required.The oracle,diffusion operators,and swap test are designed with achievable quantum gates.The query complexity is O(1.414^(n))and the space complexity is O(n).To validate the proposed approach,qiskit software package is employed to simulate the quantum circuit,yielding the anticipated results.
基金supported by the National Natural the Science Foundation of China(51971042,51901028)the Chongqing Academician Special Fund(cstc2020yszxjcyj X0001)+1 种基金the China Scholarship Council(CSC)Norwegian University of Science and Technology(NTNU)for their financial and technical support。
文摘Magnesium(Mg),being the lightest structural metal,holds immense potential for widespread applications in various fields.The development of high-performance and cost-effective Mg alloys is crucial to further advancing their commercial utilization.With the rapid advancement of machine learning(ML)technology in recent years,the“data-driven''approach for alloy design has provided new perspectives and opportunities for enhancing the performance of Mg alloys.This paper introduces a novel regression-based Bayesian optimization active learning model(RBOALM)for the development of high-performance Mg-Mn-based wrought alloys.RBOALM employs active learning to automatically explore optimal alloy compositions and process parameters within predefined ranges,facilitating the discovery of superior alloy combinations.This model further integrates pre-established regression models as surrogate functions in Bayesian optimization,significantly enhancing the precision of the design process.Leveraging RBOALM,several new high-performance alloys have been successfully designed and prepared.Notably,after mechanical property testing of the designed alloys,the Mg-2.1Zn-2.0Mn-0.5Sn-0.1Ca alloy demonstrates exceptional mechanical properties,including an ultimate tensile strength of 406 MPa,a yield strength of 287 MPa,and a 23%fracture elongation.Furthermore,the Mg-2.7Mn-0.5Al-0.1Ca alloy exhibits an ultimate tensile strength of 211 MPa,coupled with a remarkable 41%fracture elongation.
文摘With the full growth of energy needs in the world, several studies are now focused on finding renewable sources. The aim of this work is to optimise biofuel formulation from a mixture design by studying physical properties, such as specific gravity and kinematic viscosity of various formulated mixtures. Optimization from the mixture plan revealed that in the chosen experimental domain, the optimal conditions are: 40% for used frying oil (UFO), 50% for bioethanol and 10% for diesel. These experimental conditions lead to a biofuel with a density of 0.84 and a kinematic viscosity of 2.97 cSt. These parameters are compliant with the diesel quality certificate in tropical areas. These density and viscosity values were determined according to respective desirability values of 0.68 and 0.75.
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.