The aerospace community widely uses difficult-to-cut materials,such as titanium alloys,high-temperature alloys,metal/ceramic/polymer matrix composites,hard and brittle materials,and geometrically complex components,su...The aerospace community widely uses difficult-to-cut materials,such as titanium alloys,high-temperature alloys,metal/ceramic/polymer matrix composites,hard and brittle materials,and geometrically complex components,such as thin-walled structures,microchannels,and complex surfaces.Mechanical machining is the main material removal process for the vast majority of aerospace components.However,many problems exist,including severe and rapid tool wear,low machining efficiency,and poor surface integrity.Nontraditional energy-assisted mechanical machining is a hybrid process that uses nontraditional energies(vibration,laser,electricity,etc)to improve the machinability of local materials and decrease the burden of mechanical machining.This provides a feasible and promising method to improve the material removal rate and surface quality,reduce process forces,and prolong tool life.However,systematic reviews of this technology are lacking with respect to the current research status and development direction.This paper reviews the recent progress in the nontraditional energy-assisted mechanical machining of difficult-to-cut materials and components in the aerospace community.In addition,this paper focuses on the processing principles,material responses under nontraditional energy,resultant forces and temperatures,material removal mechanisms,and applications of these processes,including vibration-,laser-,electric-,magnetic-,chemical-,advanced coolant-,and hybrid nontraditional energy-assisted mechanical machining.Finally,a comprehensive summary of the principles,advantages,and limitations of each hybrid process is provided,and future perspectives on forward design,device development,and sustainability of nontraditional energy-assisted mechanical machining processes are discussed.展开更多
Traditional 3Ni weathering steel cannot completely meet the requirements for offshore engineering development,resulting in the design of novel 3Ni steel with the addition of microalloy elements such as Mn or Nb for st...Traditional 3Ni weathering steel cannot completely meet the requirements for offshore engineering development,resulting in the design of novel 3Ni steel with the addition of microalloy elements such as Mn or Nb for strength enhancement becoming a trend.The stress-assisted corrosion behavior of a novel designed high-strength 3Ni steel was investigated in the current study using the corrosion big data method.The information on the corrosion process was recorded using the galvanic corrosion current monitoring method.The gradi-ent boosting decision tree(GBDT)machine learning method was used to mine the corrosion mechanism,and the importance of the struc-ture factor was investigated.Field exposure tests were conducted to verify the calculated results using the GBDT method.Results indic-ated that the GBDT method can be effectively used to study the influence of structural factors on the corrosion process of 3Ni steel.Dif-ferent mechanisms for the addition of Mn and Cu to the stress-assisted corrosion of 3Ni steel suggested that Mn and Cu have no obvious effect on the corrosion rate of non-stressed 3Ni steel during the early stage of corrosion.When the corrosion reached a stable state,the in-crease in Mn element content increased the corrosion rate of 3Ni steel,while Cu reduced this rate.In the presence of stress,the increase in Mn element content and Cu addition can inhibit the corrosion process.The corrosion law of outdoor-exposed 3Ni steel is consistent with the law based on corrosion big data technology,verifying the reliability of the big data evaluation method and data prediction model selection.展开更多
Magnesium alloys have many advantages as lightweight materials for engineering applications,especially in the fields of automotive and aerospace.They undergo extensive cutting or machining while making products out of...Magnesium alloys have many advantages as lightweight materials for engineering applications,especially in the fields of automotive and aerospace.They undergo extensive cutting or machining while making products out of them.Dry cutting,a sustainable machining method,causes more friction and adhesion at the tool-chip interface.One of the promising solutions to this problem is cutting tool surface texturing,which can reduce tool wear and friction in dry cutting and improve machining performance.This paper aims to investigate the impact of dimple textures(made on the flank face of cutting inserts)on tool wear and chip morphology in the dry machining of AZ31B magnesium alloy.The results show that the cutting speed was the most significant factor affecting tool flank wear,followed by feed rate and cutting depth.The tool wear mechanism was examined using scanning electron microscope(SEM)images and energy dispersive X-ray spectroscopy(EDS)analysis reports,which showed that at low cutting speed,the main wear mechanism was abrasion,while at high speed,it was adhesion.The chips are discontinuous at low cutting speeds,while continuous at high cutting speeds.The dimple textured flank face cutting tools facilitate the dry machining of AZ31B magnesium alloy and contribute to ecological benefits.展开更多
Difficult-to-machine materials (DMMs) are extensively applied in critical fields such as aviation,semiconductor,biomedicine,and other key fields due to their excellent material properties.However,traditional machining...Difficult-to-machine materials (DMMs) are extensively applied in critical fields such as aviation,semiconductor,biomedicine,and other key fields due to their excellent material properties.However,traditional machining technologies often struggle to achieve ultra-precision with DMMs resulting from poor surface quality and low processing efficiency.In recent years,field-assisted machining (FAM) technology has emerged as a new generation of machining technology based on innovative principles such as laser heating,tool vibration,magnetic magnetization,and plasma modification,providing a new solution for improving the machinability of DMMs.This technology not only addresses these limitations of traditional machining methods,but also has become a hot topic of research in the domain of ultra-precision machining of DMMs.Many new methods and principles have been introduced and investigated one after another,yet few studies have presented a comprehensive analysis and summarization.To fill this gap and understand the development trend of FAM,this study provides an important overview of FAM,covering different assisted machining methods,application effects,mechanism analysis,and equipment design.The current deficiencies and future challenges of FAM are summarized to lay the foundation for the further development of multi-field hybrid assisted and intelligent FAM technologies.展开更多
Brittle materials are widely used for producing important components in the industry of optics,optoelectronics,and semiconductors.Ultraprecision machining of brittle materials with high surface quality and surface int...Brittle materials are widely used for producing important components in the industry of optics,optoelectronics,and semiconductors.Ultraprecision machining of brittle materials with high surface quality and surface integrity helps improve the functional performance and lifespan of the components.According to their hardness,brittle materials can be roughly divided into hard-brittle and soft-brittle.Although there have been some literature reviews for ultraprecision machining of hard-brittle materials,up to date,very few review papers are available that focus on the processing of soft-brittle materials.Due to the‘soft’and‘brittle’properties,this group of materials has unique machining characteristics.This paper presents a comprehensive overview of recent advances in ultraprecision machining of soft-brittle materials.Critical aspects of machining mechanisms,such as chip formation,surface topography,and subsurface damage for different machining methods,including diamond turning,micro end milling,ultraprecision grinding,and micro/nano burnishing,are compared in terms of tool-workpiece interaction.The effects of tool geometries on the machining characteristics of soft-brittle materials are systematically analyzed,and dominating factors are sorted out.Problems and challenges in the engineering applications are identified,and solutions/guidelines for future R&D are provided.展开更多
With the rapid development in advanced industries,such as microelectronics and optics sectors,the functional feature size of devises/components has been decreasing from micro to nanometric,and even ACS for higher perf...With the rapid development in advanced industries,such as microelectronics and optics sectors,the functional feature size of devises/components has been decreasing from micro to nanometric,and even ACS for higher performance,smaller volume and lower energy consumption.By this time,a great many quantum structures are proposed,with not only an extreme scale of several or even single atom,but also a nearly ideal lattice structure with no material defect.It is almost no doubt that such structures play critical role in the next generation products,which shows an urgent demand for the ACSM.Laser machining is one of the most important approaches widely used in engineering and scientific research.It is high-efficient and applicable for most kinds of materials.Moreover,the processing scale covers a huge range from millimeters to nanometers,and has already touched the atomic level.Laser–material interaction mechanism,as the foundation of laser machining,determines the machining accuracy and surface quality.It becomes much more sophisticated and dominant with a decrease in processing scale,which is systematically reviewed in this article.In general,the mechanisms of laser-induced material removal are classified into ablation,CE and atomic desorption,with a decrease in the scale from above microns to angstroms.The effects of processing parameters on both fundamental material response and machined surface quality are discussed,as well as theoretical methods to simulate and understand the underlying mechanisms.Examples at nanometric to atomic scale are provided,which demonstrate the capability of laser machining in achieving the ultimate precision and becoming a promising approach to ACSM.展开更多
High-speed machining(HSM) has been studied for several decades and has potential application in various industries, including the automobile and aerospace industries. However,the underlying mechanisms of HSM have not ...High-speed machining(HSM) has been studied for several decades and has potential application in various industries, including the automobile and aerospace industries. However,the underlying mechanisms of HSM have not been formally reviewed thus far. This article focuses on the solid mechanics framework of adiabatic shear band(ASB) onset and material metallurgical microstructural evolutions in HSM. The ASB onset is described using partial differential systems. Several factors in HSM were considered in the systems, and the ASB onset conditions were obtained by solving these systems or applying the perturbation method to the systems. With increasing machining speed, an ASB can be depressed and further eliminated by shock pressure. The damage observed in HSM exhibits common features. Equiaxed fine grains produced by dynamic recrystallization widely cause damage to ductile materials, and amorphization is the common microstructural evolution in brittle materials. Based on previous studies, potential mechanisms for the phenomena in HSM are proposed. These include the thickness variation of the white layer of ductile materials. These proposed mechanisms would be beneficial to deeply understanding the various phenomena in HSM.展开更多
The current study of minimum quantity lubrication(MQL)concentrates on its performance improvement.By contrast with nanofluid MQL and electrostatic atomization(EA),the proposed nanofluid composite electrostatic sprayin...The current study of minimum quantity lubrication(MQL)concentrates on its performance improvement.By contrast with nanofluid MQL and electrostatic atomization(EA),the proposed nanofluid composite electrostatic spraying(NCES)can enhance the performance of MQL more comprehensively.However,it is largely influenced by the base fluid of external fluid.In this paper,the lubrication property and machining performance of NCES with different types of vegetable oils(castor,palm,soybean,rapeseed,and LB2000 oil)as the base fluids of external fluid were compared and evaluated by friction and milling tests under different flow ratios of external and internal fluids.The spraying current and electrowetting angle were tested to analyze the influence of vegetable oil type as the base fluid of external fluid on NCES performances.The friction test results show that relative to NCES with other vegetable oils as the base fluids of external fluid,NCES with LB2000 as the base fluid of external fluid reduced the friction coefficient and wear loss by 9.4%-27.7%and 7.6%-26.5%,respectively.The milling test results display that the milling force and milling temperature for NCES with LB2000 as the base fluid of external fluid were 1.4%-13.2%and 3.6%-11.2%lower than those for NCES with other vegetable oils as the base fluids of external fluid,respectively.When LB2000/multi-walled carbon nanotube(MWCNT)water-based nanofluid was used as the external/internal fluid and the flow ratio of external and internal fluids was 2:1,NCES showed the best milling performance.This study provides theoretical and technical support for the selection of the base fluid of NCES external fluid.展开更多
BACKGROUND Intensive care unit-acquired weakness(ICU-AW)is a common complication that significantly impacts the patient's recovery process,even leading to adverse outcomes.Currently,there is a lack of effective pr...BACKGROUND Intensive care unit-acquired weakness(ICU-AW)is a common complication that significantly impacts the patient's recovery process,even leading to adverse outcomes.Currently,there is a lack of effective preventive measures.AIM To identify significant risk factors for ICU-AW through iterative machine learning techniques and offer recommendations for its prevention and treatment.METHODS Patients were categorized into ICU-AW and non-ICU-AW groups on the 14th day post-ICU admission.Relevant data from the initial 14 d of ICU stay,such as age,comorbidities,sedative dosage,vasopressor dosage,duration of mechanical ventilation,length of ICU stay,and rehabilitation therapy,were gathered.The relationships between these variables and ICU-AW were examined.Utilizing iterative machine learning techniques,a multilayer perceptron neural network model was developed,and its predictive performance for ICU-AW was assessed using the receiver operating characteristic curve.RESULTS Within the ICU-AW group,age,duration of mechanical ventilation,lorazepam dosage,adrenaline dosage,and length of ICU stay were significantly higher than in the non-ICU-AW group.Additionally,sepsis,multiple organ dysfunction syndrome,hypoalbuminemia,acute heart failure,respiratory failure,acute kidney injury,anemia,stress-related gastrointestinal bleeding,shock,hypertension,coronary artery disease,malignant tumors,and rehabilitation therapy ratios were significantly higher in the ICU-AW group,demonstrating statistical significance.The most influential factors contributing to ICU-AW were identified as the length of ICU stay(100.0%)and the duration of mechanical ventilation(54.9%).The neural network model predicted ICU-AW with an area under the curve of 0.941,sensitivity of 92.2%,and specificity of 82.7%.CONCLUSION The main factors influencing ICU-AW are the length of ICU stay and the duration of mechanical ventilation.A primary preventive strategy,when feasible,involves minimizing both ICU stay and mechanical ventilation duration.展开更多
This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while ...This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while the corrosion rate as the output.6 dif-ferent ML algorithms were used to construct the proposed model.Through optimization and filtering,the eXtreme gradient boosting(XG-Boost)model exhibited good corrosion rate prediction accuracy.The features of material properties were then transformed into atomic and physical features using the proposed property transformation approach,and the dominant descriptors that affected the corrosion rate were filtered using the recursive feature elimination(RFE)as well as XGBoost methods.The established ML models exhibited better predic-tion performance and generalization ability via property transformation descriptors.In addition,the SHapley additive exPlanations(SHAP)method was applied to analyze the relationship between the descriptors and corrosion rate.The results showed that the property transformation model could effectively help with analyzing the corrosion behavior,thereby significantly improving the generalization ability of corrosion rate prediction models.展开更多
The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceu...The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.展开更多
Stroke is a leading cause of disability and mortality worldwide,necessitating the development of advanced technologies to improve its diagnosis,treatment,and patient outcomes.In recent years,machine learning technique...Stroke is a leading cause of disability and mortality worldwide,necessitating the development of advanced technologies to improve its diagnosis,treatment,and patient outcomes.In recent years,machine learning techniques have emerged as promising tools in stroke medicine,enabling efficient analysis of large-scale datasets and facilitating personalized and precision medicine approaches.This abstract provides a comprehensive overview of machine learning’s applications,challenges,and future directions in stroke medicine.Recently introduced machine learning algorithms have been extensively employed in all the fields of stroke medicine.Machine learning models have demonstrated remarkable accuracy in imaging analysis,diagnosing stroke subtypes,risk stratifications,guiding medical treatment,and predicting patient prognosis.Despite the tremendous potential of machine learning in stroke medicine,several challenges must be addressed.These include the need for standardized and interoperable data collection,robust model validation and generalization,and the ethical considerations surrounding privacy and bias.In addition,integrating machine learning models into clinical workflows and establishing regulatory frameworks are critical for ensuring their widespread adoption and impact in routine stroke care.Machine learning promises to revolutionize stroke medicine by enabling precise diagnosis,tailored treatment selection,and improved prognostication.Continued research and collaboration among clinicians,researchers,and technologists are essential for overcoming challenges and realizing the full potential of machine learning in stroke care,ultimately leading to enhanced patient outcomes and quality of life.This review aims to summarize all the current implications of machine learning in stroke diagnosis,treatment,and prognostic evaluation.At the same time,another purpose of this paper is to explore all the future perspectives these techniques can provide in combating this disabling disease.展开更多
The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important prac...The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical significance.In this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored data.Component modeling and feature modeling were used to predict the phase transition temperature of the shape memory alloys.The experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)model.The results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition temperature.On this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between atoms.This work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.展开更多
Fires,including wildfires,harm air quality and essential public services like transportation,communication,and utilities.These fires can also influence atmospheric conditions,including temperature and aerosols,potenti...Fires,including wildfires,harm air quality and essential public services like transportation,communication,and utilities.These fires can also influence atmospheric conditions,including temperature and aerosols,potentially affecting severe convective storms.Here,we investigate the remote impacts of fires in the western United States(WUS)on the occurrence of large hail(size:≥2.54 cm)in the central US(CUS)over the 20-year period of 2001–20 using the machine learning(ML),Random Forest(RF),and Extreme Gradient Boosting(XGB)methods.The developed RF and XGB models demonstrate high accuracy(>90%)and F1 scores of up to 0.78 in predicting large hail occurrences when WUS fires and CUS hailstorms coincide,particularly in four states(Wyoming,South Dakota,Nebraska,and Kansas).The key contributing variables identified from both ML models include the meteorological variables in the fire region(temperature and moisture),the westerly wind over the plume transport path,and the fire features(i.e.,the maximum fire power and burned area).The results confirm a linkage between WUS fires and severe weather in the CUS,corroborating the findings of our previous modeling study conducted on case simulations with a detailed physics model.展开更多
Mg alloys possess an inherent plastic anisotropy owing to the selective activation of deformation mechanisms depending on the loading condition.This characteristic results in a diverse range of flow curves that vary w...Mg alloys possess an inherent plastic anisotropy owing to the selective activation of deformation mechanisms depending on the loading condition.This characteristic results in a diverse range of flow curves that vary with a deformation condition.This study proposes a novel approach for accurately predicting an anisotropic deformation behavior of wrought Mg alloys using machine learning(ML)with data augmentation.The developed model combines four key strategies from data science:learning the entire flow curves,generative adversarial networks(GAN),algorithm-driven hyperparameter tuning,and gated recurrent unit(GRU)architecture.The proposed model,namely GAN-aided GRU,was extensively evaluated for various predictive scenarios,such as interpolation,extrapolation,and a limited dataset size.The model exhibited significant predictability and improved generalizability for estimating the anisotropic compressive behavior of ZK60 Mg alloys under 11 annealing conditions and for three loading directions.The GAN-aided GRU results were superior to those of previous ML models and constitutive equations.The superior performance was attributed to hyperparameter optimization,GAN-based data augmentation,and the inherent predictivity of the GRU for extrapolation.As a first attempt to employ ML techniques other than artificial neural networks,this study proposes a novel perspective on predicting the anisotropic deformation behaviors of wrought Mg alloys.展开更多
As some recent information security legislation endowed users with unconditional rights to be forgotten by any trained machine learning model,personalised IoT service pro-viders have to put unlearning functionality in...As some recent information security legislation endowed users with unconditional rights to be forgotten by any trained machine learning model,personalised IoT service pro-viders have to put unlearning functionality into their consideration.The most straight-forward method to unlearn users'contribution is to retrain the model from the initial state,which is not realistic in high throughput applications with frequent unlearning requests.Though some machine unlearning frameworks have been proposed to speed up the retraining process,they fail to match decentralised learning scenarios.A decentralised unlearning framework called heterogeneous decentralised unlearning framework with seed(HDUS)is designed,which uses distilled seed models to construct erasable en-sembles for all clients.Moreover,the framework is compatible with heterogeneous on-device models,representing stronger scalability in real-world applications.Extensive experiments on three real-world datasets show that our HDUS achieves state-of-the-art performance.展开更多
Jet grouting is one of the most popular soil improvement techniques,but its design usually involves great uncertainties that can lead to economic cost overruns in construction projects.The high dispersion in the prope...Jet grouting is one of the most popular soil improvement techniques,but its design usually involves great uncertainties that can lead to economic cost overruns in construction projects.The high dispersion in the properties of the improved material leads to designers assuming a conservative,arbitrary and unjustified strength,which is even sometimes subjected to the results of the test fields.The present paper presents an approach for prediction of the uniaxial compressive strength(UCS)of jet grouting columns based on the analysis of several machine learning algorithms on a database of 854 results mainly collected from different research papers.The selected machine learning model(extremely randomized trees)relates the soil type and various parameters of the technique to the value of the compressive strength.Despite the complex mechanism that surrounds the jet grouting process,evidenced by the high dispersion and low correlation of the variables studied,the trained model allows to optimally predict the values of compressive strength with a significant improvement with respect to the existing works.Consequently,this work proposes for the first time a reliable and easily applicable approach for estimation of the compressive strength of jet grouting columns.展开更多
Cardiovascular disease(CVD)has gradually become one of the main causes of harm to the life and health of residents.Exploring the influencing factors and risk assessment methods of CVD has become a general trend.In thi...Cardiovascular disease(CVD)has gradually become one of the main causes of harm to the life and health of residents.Exploring the influencing factors and risk assessment methods of CVD has become a general trend.In this paper,a machine learning-based decision-making mechanism for risk assessment of CVD is designed.In this mechanism,the logistics regression analysismethod and factor analysismodel are used to select age,obesity degree,blood pressure,blood fat,blood sugar,smoking status,drinking status,and exercise status as the main pathogenic factors of CVD,and an index systemof risk assessment for CVD is established.Then,a two-stage model combining K-means cluster analysis and random forest(RF)is proposed to evaluate and predict the risk of CVD,and the predicted results are compared with the methods of Bayesian discrimination,K-means cluster analysis and RF.The results show that thepredictioneffect of theproposedtwo-stagemodel is better than that of the comparedmethods.Moreover,several suggestions for the government,the medical industry and the public are provided based on the research results.展开更多
The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating condi...The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating conditions,and limited measured signals.Although data-driven methods are perceived as a promising solution,they ignore intrinsic battery physics,leading to compromised accuracy,low efficiency,and low interpretability.In response,this study integrates domain knowledge into deep learning to enhance the RUL prediction performance.We demonstrate accurate RUL prediction using only a single charging curve.First,a generalisable physics-based model is developed to extract ageing-correlated parameters that can describe and explain battery degradation from battery charging data.The parameters inform a deep neural network(DNN)to predict RUL with high accuracy and efficiency.The trained model is validated under 3 types of batteries working under 7 conditions,considering fully charged and partially charged cases.Using data from one cycle only,the proposed method achieves a root mean squared error(RMSE)of 11.42 cycles and a mean absolute relative error(MARE)of 3.19%on average,which are over45%and 44%lower compared to the two state-of-the-art data-driven methods,respectively.Besides its accuracy,the proposed method also outperforms existing methods in terms of efficiency,input burden,and robustness.The inherent relationship between the model parameters and the battery degradation mechanism is further revealed,substantiating the intrinsic superiority of the proposed method.展开更多
Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experi...Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.展开更多
基金supported by the National Natural Science Foundation of China(Nos.52075255,92160301,52175415,52205475,and 92060203)。
文摘The aerospace community widely uses difficult-to-cut materials,such as titanium alloys,high-temperature alloys,metal/ceramic/polymer matrix composites,hard and brittle materials,and geometrically complex components,such as thin-walled structures,microchannels,and complex surfaces.Mechanical machining is the main material removal process for the vast majority of aerospace components.However,many problems exist,including severe and rapid tool wear,low machining efficiency,and poor surface integrity.Nontraditional energy-assisted mechanical machining is a hybrid process that uses nontraditional energies(vibration,laser,electricity,etc)to improve the machinability of local materials and decrease the burden of mechanical machining.This provides a feasible and promising method to improve the material removal rate and surface quality,reduce process forces,and prolong tool life.However,systematic reviews of this technology are lacking with respect to the current research status and development direction.This paper reviews the recent progress in the nontraditional energy-assisted mechanical machining of difficult-to-cut materials and components in the aerospace community.In addition,this paper focuses on the processing principles,material responses under nontraditional energy,resultant forces and temperatures,material removal mechanisms,and applications of these processes,including vibration-,laser-,electric-,magnetic-,chemical-,advanced coolant-,and hybrid nontraditional energy-assisted mechanical machining.Finally,a comprehensive summary of the principles,advantages,and limitations of each hybrid process is provided,and future perspectives on forward design,device development,and sustainability of nontraditional energy-assisted mechanical machining processes are discussed.
基金supported by the National Nat-ural Science Foundation of China(No.52203376)the National Key Research and Development Program of China(No.2023YFB3813200).
文摘Traditional 3Ni weathering steel cannot completely meet the requirements for offshore engineering development,resulting in the design of novel 3Ni steel with the addition of microalloy elements such as Mn or Nb for strength enhancement becoming a trend.The stress-assisted corrosion behavior of a novel designed high-strength 3Ni steel was investigated in the current study using the corrosion big data method.The information on the corrosion process was recorded using the galvanic corrosion current monitoring method.The gradi-ent boosting decision tree(GBDT)machine learning method was used to mine the corrosion mechanism,and the importance of the struc-ture factor was investigated.Field exposure tests were conducted to verify the calculated results using the GBDT method.Results indic-ated that the GBDT method can be effectively used to study the influence of structural factors on the corrosion process of 3Ni steel.Dif-ferent mechanisms for the addition of Mn and Cu to the stress-assisted corrosion of 3Ni steel suggested that Mn and Cu have no obvious effect on the corrosion rate of non-stressed 3Ni steel during the early stage of corrosion.When the corrosion reached a stable state,the in-crease in Mn element content increased the corrosion rate of 3Ni steel,while Cu reduced this rate.In the presence of stress,the increase in Mn element content and Cu addition can inhibit the corrosion process.The corrosion law of outdoor-exposed 3Ni steel is consistent with the law based on corrosion big data technology,verifying the reliability of the big data evaluation method and data prediction model selection.
文摘Magnesium alloys have many advantages as lightweight materials for engineering applications,especially in the fields of automotive and aerospace.They undergo extensive cutting or machining while making products out of them.Dry cutting,a sustainable machining method,causes more friction and adhesion at the tool-chip interface.One of the promising solutions to this problem is cutting tool surface texturing,which can reduce tool wear and friction in dry cutting and improve machining performance.This paper aims to investigate the impact of dimple textures(made on the flank face of cutting inserts)on tool wear and chip morphology in the dry machining of AZ31B magnesium alloy.The results show that the cutting speed was the most significant factor affecting tool flank wear,followed by feed rate and cutting depth.The tool wear mechanism was examined using scanning electron microscope(SEM)images and energy dispersive X-ray spectroscopy(EDS)analysis reports,which showed that at low cutting speed,the main wear mechanism was abrasion,while at high speed,it was adhesion.The chips are discontinuous at low cutting speeds,while continuous at high cutting speeds.The dimple textured flank face cutting tools facilitate the dry machining of AZ31B magnesium alloy and contribute to ecological benefits.
基金supported by the National Key Research and Development Project of China (Grant No.2023YFB3407200)the National Natural Science Foundation of China (Grant Nos.52225506,52375430,and 52188102)the Program for HUST Academic Frontier Youth Team (Grant No.2019QYTD12)。
文摘Difficult-to-machine materials (DMMs) are extensively applied in critical fields such as aviation,semiconductor,biomedicine,and other key fields due to their excellent material properties.However,traditional machining technologies often struggle to achieve ultra-precision with DMMs resulting from poor surface quality and low processing efficiency.In recent years,field-assisted machining (FAM) technology has emerged as a new generation of machining technology based on innovative principles such as laser heating,tool vibration,magnetic magnetization,and plasma modification,providing a new solution for improving the machinability of DMMs.This technology not only addresses these limitations of traditional machining methods,but also has become a hot topic of research in the domain of ultra-precision machining of DMMs.Many new methods and principles have been introduced and investigated one after another,yet few studies have presented a comprehensive analysis and summarization.To fill this gap and understand the development trend of FAM,this study provides an important overview of FAM,covering different assisted machining methods,application effects,mechanism analysis,and equipment design.The current deficiencies and future challenges of FAM are summarized to lay the foundation for the further development of multi-field hybrid assisted and intelligent FAM technologies.
文摘Brittle materials are widely used for producing important components in the industry of optics,optoelectronics,and semiconductors.Ultraprecision machining of brittle materials with high surface quality and surface integrity helps improve the functional performance and lifespan of the components.According to their hardness,brittle materials can be roughly divided into hard-brittle and soft-brittle.Although there have been some literature reviews for ultraprecision machining of hard-brittle materials,up to date,very few review papers are available that focus on the processing of soft-brittle materials.Due to the‘soft’and‘brittle’properties,this group of materials has unique machining characteristics.This paper presents a comprehensive overview of recent advances in ultraprecision machining of soft-brittle materials.Critical aspects of machining mechanisms,such as chip formation,surface topography,and subsurface damage for different machining methods,including diamond turning,micro end milling,ultraprecision grinding,and micro/nano burnishing,are compared in terms of tool-workpiece interaction.The effects of tool geometries on the machining characteristics of soft-brittle materials are systematically analyzed,and dominating factors are sorted out.Problems and challenges in the engineering applications are identified,and solutions/guidelines for future R&D are provided.
基金supported by the National Natural Science Foundation of China(Nos.52035009,52105475).
文摘With the rapid development in advanced industries,such as microelectronics and optics sectors,the functional feature size of devises/components has been decreasing from micro to nanometric,and even ACS for higher performance,smaller volume and lower energy consumption.By this time,a great many quantum structures are proposed,with not only an extreme scale of several or even single atom,but also a nearly ideal lattice structure with no material defect.It is almost no doubt that such structures play critical role in the next generation products,which shows an urgent demand for the ACSM.Laser machining is one of the most important approaches widely used in engineering and scientific research.It is high-efficient and applicable for most kinds of materials.Moreover,the processing scale covers a huge range from millimeters to nanometers,and has already touched the atomic level.Laser–material interaction mechanism,as the foundation of laser machining,determines the machining accuracy and surface quality.It becomes much more sophisticated and dominant with a decrease in processing scale,which is systematically reviewed in this article.In general,the mechanisms of laser-induced material removal are classified into ablation,CE and atomic desorption,with a decrease in the scale from above microns to angstroms.The effects of processing parameters on both fundamental material response and machined surface quality are discussed,as well as theoretical methods to simulate and understand the underlying mechanisms.Examples at nanometric to atomic scale are provided,which demonstrate the capability of laser machining in achieving the ultimate precision and becoming a promising approach to ACSM.
基金support of the Shenzhen Science and Technology Innovation Commission under Project Numbers KQTD20190929172505711,JSGG20210420091802007, and JCYJ20210324115413036Guangdong Provincial Department of Science and Technology under Project Number K22333004。
文摘High-speed machining(HSM) has been studied for several decades and has potential application in various industries, including the automobile and aerospace industries. However,the underlying mechanisms of HSM have not been formally reviewed thus far. This article focuses on the solid mechanics framework of adiabatic shear band(ASB) onset and material metallurgical microstructural evolutions in HSM. The ASB onset is described using partial differential systems. Several factors in HSM were considered in the systems, and the ASB onset conditions were obtained by solving these systems or applying the perturbation method to the systems. With increasing machining speed, an ASB can be depressed and further eliminated by shock pressure. The damage observed in HSM exhibits common features. Equiaxed fine grains produced by dynamic recrystallization widely cause damage to ductile materials, and amorphization is the common microstructural evolution in brittle materials. Based on previous studies, potential mechanisms for the phenomena in HSM are proposed. These include the thickness variation of the white layer of ductile materials. These proposed mechanisms would be beneficial to deeply understanding the various phenomena in HSM.
基金Supported by National Natural Science Foundation of China(Grant Nos.52175411 and 51205177)Jiangsu Provincial Natural Science Foundation(Grant Nos.BK20171307 and BK2012277).
文摘The current study of minimum quantity lubrication(MQL)concentrates on its performance improvement.By contrast with nanofluid MQL and electrostatic atomization(EA),the proposed nanofluid composite electrostatic spraying(NCES)can enhance the performance of MQL more comprehensively.However,it is largely influenced by the base fluid of external fluid.In this paper,the lubrication property and machining performance of NCES with different types of vegetable oils(castor,palm,soybean,rapeseed,and LB2000 oil)as the base fluids of external fluid were compared and evaluated by friction and milling tests under different flow ratios of external and internal fluids.The spraying current and electrowetting angle were tested to analyze the influence of vegetable oil type as the base fluid of external fluid on NCES performances.The friction test results show that relative to NCES with other vegetable oils as the base fluids of external fluid,NCES with LB2000 as the base fluid of external fluid reduced the friction coefficient and wear loss by 9.4%-27.7%and 7.6%-26.5%,respectively.The milling test results display that the milling force and milling temperature for NCES with LB2000 as the base fluid of external fluid were 1.4%-13.2%and 3.6%-11.2%lower than those for NCES with other vegetable oils as the base fluids of external fluid,respectively.When LB2000/multi-walled carbon nanotube(MWCNT)water-based nanofluid was used as the external/internal fluid and the flow ratio of external and internal fluids was 2:1,NCES showed the best milling performance.This study provides theoretical and technical support for the selection of the base fluid of NCES external fluid.
基金Supported by Science and Technology Support Program of Qiandongnan Prefecture,No.Qiandongnan Sci-Tech Support[2021]12Guizhou Province High-Level Innovative Talent Training Program,No.Qiannan Thousand Talents[2022]201701.
文摘BACKGROUND Intensive care unit-acquired weakness(ICU-AW)is a common complication that significantly impacts the patient's recovery process,even leading to adverse outcomes.Currently,there is a lack of effective preventive measures.AIM To identify significant risk factors for ICU-AW through iterative machine learning techniques and offer recommendations for its prevention and treatment.METHODS Patients were categorized into ICU-AW and non-ICU-AW groups on the 14th day post-ICU admission.Relevant data from the initial 14 d of ICU stay,such as age,comorbidities,sedative dosage,vasopressor dosage,duration of mechanical ventilation,length of ICU stay,and rehabilitation therapy,were gathered.The relationships between these variables and ICU-AW were examined.Utilizing iterative machine learning techniques,a multilayer perceptron neural network model was developed,and its predictive performance for ICU-AW was assessed using the receiver operating characteristic curve.RESULTS Within the ICU-AW group,age,duration of mechanical ventilation,lorazepam dosage,adrenaline dosage,and length of ICU stay were significantly higher than in the non-ICU-AW group.Additionally,sepsis,multiple organ dysfunction syndrome,hypoalbuminemia,acute heart failure,respiratory failure,acute kidney injury,anemia,stress-related gastrointestinal bleeding,shock,hypertension,coronary artery disease,malignant tumors,and rehabilitation therapy ratios were significantly higher in the ICU-AW group,demonstrating statistical significance.The most influential factors contributing to ICU-AW were identified as the length of ICU stay(100.0%)and the duration of mechanical ventilation(54.9%).The neural network model predicted ICU-AW with an area under the curve of 0.941,sensitivity of 92.2%,and specificity of 82.7%.CONCLUSION The main factors influencing ICU-AW are the length of ICU stay and the duration of mechanical ventilation.A primary preventive strategy,when feasible,involves minimizing both ICU stay and mechanical ventilation duration.
基金the National Key R&D Program of China(No.2021YFB3701705).
文摘This work constructed a machine learning(ML)model to predict the atmospheric corrosion rate of low-alloy steels(LAS).The material properties of LAS,environmental factors,and exposure time were used as the input,while the corrosion rate as the output.6 dif-ferent ML algorithms were used to construct the proposed model.Through optimization and filtering,the eXtreme gradient boosting(XG-Boost)model exhibited good corrosion rate prediction accuracy.The features of material properties were then transformed into atomic and physical features using the proposed property transformation approach,and the dominant descriptors that affected the corrosion rate were filtered using the recursive feature elimination(RFE)as well as XGBoost methods.The established ML models exhibited better predic-tion performance and generalization ability via property transformation descriptors.In addition,the SHapley additive exPlanations(SHAP)method was applied to analyze the relationship between the descriptors and corrosion rate.The results showed that the property transformation model could effectively help with analyzing the corrosion behavior,thereby significantly improving the generalization ability of corrosion rate prediction models.
基金the financial support from the National Natural Science Foundation of China(22278070,21978047,21776046)。
文摘The high throughput prediction of the thermodynamic phase behavior of active pharmaceutical ingredients(APIs)with pharmaceutically relevant excipients remains a major scientific challenge in the screening of pharmaceutical formulations.In this work,a developed machine-learning model efficiently predicts the solubility of APIs in polymers by learning the phase equilibrium principle and using a few molecular descriptors.Under the few-shot learning framework,thermodynamic theory(perturbed-chain statistical associating fluid theory)was used for data augmentation,and computational chemistry was applied for molecular descriptors'screening.The results showed that the developed machine-learning model can predict the API-polymer phase diagram accurately,broaden the solubility data of APIs in polymers,and reproduce the relationship between API solubility and the interaction mechanisms between API and polymer successfully,which provided efficient guidance for the development of pharmaceutical formulations.
文摘Stroke is a leading cause of disability and mortality worldwide,necessitating the development of advanced technologies to improve its diagnosis,treatment,and patient outcomes.In recent years,machine learning techniques have emerged as promising tools in stroke medicine,enabling efficient analysis of large-scale datasets and facilitating personalized and precision medicine approaches.This abstract provides a comprehensive overview of machine learning’s applications,challenges,and future directions in stroke medicine.Recently introduced machine learning algorithms have been extensively employed in all the fields of stroke medicine.Machine learning models have demonstrated remarkable accuracy in imaging analysis,diagnosing stroke subtypes,risk stratifications,guiding medical treatment,and predicting patient prognosis.Despite the tremendous potential of machine learning in stroke medicine,several challenges must be addressed.These include the need for standardized and interoperable data collection,robust model validation and generalization,and the ethical considerations surrounding privacy and bias.In addition,integrating machine learning models into clinical workflows and establishing regulatory frameworks are critical for ensuring their widespread adoption and impact in routine stroke care.Machine learning promises to revolutionize stroke medicine by enabling precise diagnosis,tailored treatment selection,and improved prognostication.Continued research and collaboration among clinicians,researchers,and technologists are essential for overcoming challenges and realizing the full potential of machine learning in stroke care,ultimately leading to enhanced patient outcomes and quality of life.This review aims to summarize all the current implications of machine learning in stroke diagnosis,treatment,and prognostic evaluation.At the same time,another purpose of this paper is to explore all the future perspectives these techniques can provide in combating this disabling disease.
基金financially supported by the National Natural Science Foundation of China(No.51974028)。
文摘The martensitic transformation temperature is the basis for the application of shape memory alloys(SMAs),and the ability to quickly and accurately predict the transformation temperature of SMAs has very important practical significance.In this work,machine learning(ML)methods were utilized to accelerate the search for shape memory alloys with targeted properties(phase transition temperature).A group of component data was selected to design shape memory alloys using reverse design method from numerous unexplored data.Component modeling and feature modeling were used to predict the phase transition temperature of the shape memory alloys.The experimental results of the shape memory alloys were obtained to verify the effectiveness of the support vector regression(SVR)model.The results show that the machine learning model can obtain target materials more efficiently and pertinently,and realize the accurate and rapid design of shape memory alloys with specific target phase transition temperature.On this basis,the relationship between phase transition temperature and material descriptors is analyzed,and it is proved that the key factors affecting the phase transition temperature of shape memory alloys are based on the strength of the bond energy between atoms.This work provides new ideas for the controllable design and performance optimization of Cu-based shape memory alloys.
基金supported by the U.S.Department of Energy,Office of Science,Office of Biological and Environmental Research program as part of the Regional and Global Model Analysis and Multi-Sector Dynamics program areas(Award Number DE-SC0016605)Argonne National Laboratory is operated for the DOE by UChicago Argonne,LLC,under contract DE-AC02-06CH11357+1 种基金the National Energy Research Scientific Computing Center(NERSC)NERSC is a U.S.DOE Office of Science User Facility operated under Contract DE-AC02-05CH11231.
文摘Fires,including wildfires,harm air quality and essential public services like transportation,communication,and utilities.These fires can also influence atmospheric conditions,including temperature and aerosols,potentially affecting severe convective storms.Here,we investigate the remote impacts of fires in the western United States(WUS)on the occurrence of large hail(size:≥2.54 cm)in the central US(CUS)over the 20-year period of 2001–20 using the machine learning(ML),Random Forest(RF),and Extreme Gradient Boosting(XGB)methods.The developed RF and XGB models demonstrate high accuracy(>90%)and F1 scores of up to 0.78 in predicting large hail occurrences when WUS fires and CUS hailstorms coincide,particularly in four states(Wyoming,South Dakota,Nebraska,and Kansas).The key contributing variables identified from both ML models include the meteorological variables in the fire region(temperature and moisture),the westerly wind over the plume transport path,and the fire features(i.e.,the maximum fire power and burned area).The results confirm a linkage between WUS fires and severe weather in the CUS,corroborating the findings of our previous modeling study conducted on case simulations with a detailed physics model.
基金Korea Institute of Energy Technology Evaluation and Planning(KETEP)grant funded by the Korea government(Grant No.20214000000140,Graduate School of Convergence for Clean Energy Integrated Power Generation)Korea Basic Science Institute(National Research Facilities and Equipment Center)grant funded by the Ministry of Education(2021R1A6C101A449)the National Research Foundation of Korea grant funded by the Ministry of Science and ICT(2021R1A2C1095139),Republic of Korea。
文摘Mg alloys possess an inherent plastic anisotropy owing to the selective activation of deformation mechanisms depending on the loading condition.This characteristic results in a diverse range of flow curves that vary with a deformation condition.This study proposes a novel approach for accurately predicting an anisotropic deformation behavior of wrought Mg alloys using machine learning(ML)with data augmentation.The developed model combines four key strategies from data science:learning the entire flow curves,generative adversarial networks(GAN),algorithm-driven hyperparameter tuning,and gated recurrent unit(GRU)architecture.The proposed model,namely GAN-aided GRU,was extensively evaluated for various predictive scenarios,such as interpolation,extrapolation,and a limited dataset size.The model exhibited significant predictability and improved generalizability for estimating the anisotropic compressive behavior of ZK60 Mg alloys under 11 annealing conditions and for three loading directions.The GAN-aided GRU results were superior to those of previous ML models and constitutive equations.The superior performance was attributed to hyperparameter optimization,GAN-based data augmentation,and the inherent predictivity of the GRU for extrapolation.As a first attempt to employ ML techniques other than artificial neural networks,this study proposes a novel perspective on predicting the anisotropic deformation behaviors of wrought Mg alloys.
基金Australian Research Council,Grant/Award Numbers:FT210100624,DP190101985,DE230101033。
文摘As some recent information security legislation endowed users with unconditional rights to be forgotten by any trained machine learning model,personalised IoT service pro-viders have to put unlearning functionality into their consideration.The most straight-forward method to unlearn users'contribution is to retrain the model from the initial state,which is not realistic in high throughput applications with frequent unlearning requests.Though some machine unlearning frameworks have been proposed to speed up the retraining process,they fail to match decentralised learning scenarios.A decentralised unlearning framework called heterogeneous decentralised unlearning framework with seed(HDUS)is designed,which uses distilled seed models to construct erasable en-sembles for all clients.Moreover,the framework is compatible with heterogeneous on-device models,representing stronger scalability in real-world applications.Extensive experiments on three real-world datasets show that our HDUS achieves state-of-the-art performance.
基金This work has been supported by the Conselleria de Inno-vación,Universidades,Ciencia y Sociedad Digital de la Generalitat Valenciana(CIAICO/2021/335).
文摘Jet grouting is one of the most popular soil improvement techniques,but its design usually involves great uncertainties that can lead to economic cost overruns in construction projects.The high dispersion in the properties of the improved material leads to designers assuming a conservative,arbitrary and unjustified strength,which is even sometimes subjected to the results of the test fields.The present paper presents an approach for prediction of the uniaxial compressive strength(UCS)of jet grouting columns based on the analysis of several machine learning algorithms on a database of 854 results mainly collected from different research papers.The selected machine learning model(extremely randomized trees)relates the soil type and various parameters of the technique to the value of the compressive strength.Despite the complex mechanism that surrounds the jet grouting process,evidenced by the high dispersion and low correlation of the variables studied,the trained model allows to optimally predict the values of compressive strength with a significant improvement with respect to the existing works.Consequently,this work proposes for the first time a reliable and easily applicable approach for estimation of the compressive strength of jet grouting columns.
基金This work is supported by the National Natural Science Foundation of China(Nos.72071150,71871174).
文摘Cardiovascular disease(CVD)has gradually become one of the main causes of harm to the life and health of residents.Exploring the influencing factors and risk assessment methods of CVD has become a general trend.In this paper,a machine learning-based decision-making mechanism for risk assessment of CVD is designed.In this mechanism,the logistics regression analysismethod and factor analysismodel are used to select age,obesity degree,blood pressure,blood fat,blood sugar,smoking status,drinking status,and exercise status as the main pathogenic factors of CVD,and an index systemof risk assessment for CVD is established.Then,a two-stage model combining K-means cluster analysis and random forest(RF)is proposed to evaluate and predict the risk of CVD,and the predicted results are compared with the methods of Bayesian discrimination,K-means cluster analysis and RF.The results show that thepredictioneffect of theproposedtwo-stagemodel is better than that of the comparedmethods.Moreover,several suggestions for the government,the medical industry and the public are provided based on the research results.
基金the financial support from the National Natural Science Foundation of China(52207229)the financial support from the China Scholarship Council(202207550010)。
文摘The safe and reliable operation of lithium-ion batteries necessitates the accurate prediction of remaining useful life(RUL).However,this task is challenging due to the diverse ageing mechanisms,various operating conditions,and limited measured signals.Although data-driven methods are perceived as a promising solution,they ignore intrinsic battery physics,leading to compromised accuracy,low efficiency,and low interpretability.In response,this study integrates domain knowledge into deep learning to enhance the RUL prediction performance.We demonstrate accurate RUL prediction using only a single charging curve.First,a generalisable physics-based model is developed to extract ageing-correlated parameters that can describe and explain battery degradation from battery charging data.The parameters inform a deep neural network(DNN)to predict RUL with high accuracy and efficiency.The trained model is validated under 3 types of batteries working under 7 conditions,considering fully charged and partially charged cases.Using data from one cycle only,the proposed method achieves a root mean squared error(RMSE)of 11.42 cycles and a mean absolute relative error(MARE)of 3.19%on average,which are over45%and 44%lower compared to the two state-of-the-art data-driven methods,respectively.Besides its accuracy,the proposed method also outperforms existing methods in terms of efficiency,input burden,and robustness.The inherent relationship between the model parameters and the battery degradation mechanism is further revealed,substantiating the intrinsic superiority of the proposed method.
基金financially supported by the National Key Research and Development Program of China(No.2016YFB0701202,No.2017YFB0701500 and No.2020YFB1505901)National Natural Science Foundation of China(General Program No.51474149,52072240)+3 种基金Shanghai Science and Technology Committee(No.18511109300)Science and Technology Commission of the CMC(2019JCJQZD27300)financial support from the University of Michigan and Shanghai Jiao Tong University joint funding,China(AE604401)Science and Technology Commission of Shanghai Municipality(No.18511109302).
文摘Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further application.In this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic perspectives.The stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly identified.Then,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic model.Several intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic HER.Furthermore,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 eV.This study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.