Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using exi...Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have persisted.These challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of L-PBF.To address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF technologies.This review provides a comprehensive summary of the strategies employed in alloy design for L-PBF.It aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing alloys.The review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat treatment.Next,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional weldability.It was found that the weldability criteria are not always applicable in estimating printability.Furthermore,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted approaches.Lastly,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.展开更多
A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and ...A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and JMatPro software using orthogonal experiment. The microstructure and basic mechanical properties of designed alloy were investigated. The results show that the alloy is composed of single fl equiaxed grains after solution treatment at 800 ~C. Compared with Ti-6A1-4V, the mechanical properties of the designed alloy are more excellent： E=65 GPa, σb=834 MPa, σ0.2=802 MPa, and σ=11%, which is expected to become a promising new type implanted material. The research approach adopted can reduce the experimental time and cost effectively, and get the ideal experimental results.展开更多
Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have ...Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have been investigated by employing DV - Xa method, in which different cluster models were adopted to calculate electron structure.It is proved that some regulations must be taken into ac- count in order to carry out alloy design calculation successfully,which are described in this paper in detail.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
The commonly used trial-and-error method of biodegradable Zn alloys is costly and blindness.In this study,based on the self-built database of biodegradable Zn alloys,two machine learning models are established by the ...The commonly used trial-and-error method of biodegradable Zn alloys is costly and blindness.In this study,based on the self-built database of biodegradable Zn alloys,two machine learning models are established by the first time to predict the ultimate tensile strength(UTS)and immersion corrosion rate(CR)of biodegradable Zn alloys.A real-time visualization interface has been established to design Zn-Mn based alloys;a representative alloy is Zn-0.4Mn-0.4Li-0.05Mg.Through tensile mechanical properties and immersion corrosion rate tests,its UTS reaches 420 MPa,and the prediction error is only 0.95%.CR is 73μm/a and the prediction error is 5.5%,which elevates 50 MPa grade of UTS and owns appropriate corrosion rate.Finally,influences of the selected features on UTS and CR are discussed in detail.The combined application of UTS and CR model provides a new strategy for synergistically regulating comprehens-ive properties of biodegradable Zn alloys.展开更多
High-throughput calculations/simulations are the prerequisite for the efficient design of high-performance materials.In this paper,a machine learning accelerated distributed task management system(Malac-Distmas)was de...High-throughput calculations/simulations are the prerequisite for the efficient design of high-performance materials.In this paper,a machine learning accelerated distributed task management system(Malac-Distmas)was developed to realize the high-throughput calculations(HTCs)and storage of various data.The machine learning was embedded in Malac-Distmas to densify the output data,reduce the amount of calculation and achieve the acceleration of high-throughput calculations.Based on the Malac-Distmas coupling with CALPHAD software,HTCs of thermodynamics,kinetics,and thermophysical properties,including Gibbs free energy,phase diagram,Scheil-Gulliver solidification simulation,thermodynamic properties,thermophysical properties,diffusion simulation,and precipitation simulation,have been performed for demonstration.Furthermore,it is highly anticipated that the Malac-Distmas can also be coupled with any calculation/simulation software/code,which provides a console model to achieve different types of HTCs for efficient alloy design.展开更多
Machine learning(ML) models provide great opportunities to accelerate novel material development, offering a virtual alternative to laborious and resource-intensive empirical methods. In this work, the second of a two...Machine learning(ML) models provide great opportunities to accelerate novel material development, offering a virtual alternative to laborious and resource-intensive empirical methods. In this work, the second of a two-part study, an ML approach is presented that offers accelerated digital design of Mg alloys. A systematic evaluation of four ML regression algorithms was explored to rationalise the complex relationships in Mg-alloy data and to capture the composition-processing-property patterns. Cross-validation and hold-out set validation techniques were utilised for unbiased estimation of model performance. Using atomic and thermodynamic properties of the alloys, feature augmentation was examined to define the most descriptive representation spaces for the alloy data. Additionally, a graphical user interface(GUI) webtool was developed to facilitate the use of the proposed models in predicting the mechanical properties of new Mg alloys. The results demonstrate that random forest regression model and neural network are robust models for predicting the ultimate tensile strength and ductility of Mg alloys, with accuracies of ~80% and 70% respectively. The developed models in this work are a step towards high-throughput screening of novel candidates for target mechanical properties and provide ML-guided alloy design.展开更多
Typically, magnesium alloys have been designed using a so-called hill-climbing approach, with rather incremental advances over the past century. Iterative and incremental alloy design is slow and expensive, but more i...Typically, magnesium alloys have been designed using a so-called hill-climbing approach, with rather incremental advances over the past century. Iterative and incremental alloy design is slow and expensive, but more importantly it does not harness all the data that exists in the field. In this work, a new approach is proposed that utilises data science and provides a detailed understanding of the data that exists in the field of Mg-alloy design to date. In this approach, first a consolidated alloy database that incorporates 916 datapoints was developed from the literature and experimental work. To analyse the characteristics of the database, alloying and thermomechanical processing effects on mechanical properties were explored via composition-process-property matrices. An unsupervised machine learning(ML) method of clustering was also implemented, using unlabelled data, with the aim of revealing potentially useful information for an alloy representation space of low dimensionality. In addition, the alloy database was correlated to thermodynamically stable secondary phases to further understand the relationships between microstructure and mechanical properties. This work not only introduces an invaluable open-source database, but it also provides, for the first-time data, insights that enable future accelerated digital Mg-alloy design.展开更多
High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness...High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.展开更多
Biodegradable magnesium(Mg) alloys are expected to be promising materials for cardiovascular stents(CVS), which can avoid the longterm clinical problems of current CVS, such as in-stent restenosis, late stent thrombos...Biodegradable magnesium(Mg) alloys are expected to be promising materials for cardiovascular stents(CVS), which can avoid the longterm clinical problems of current CVS, such as in-stent restenosis, late stent thrombosis, etc. Mg alloy stents exhibit superior biocompatibility and tunable biodegradability, compared with conventional permanent metallic stents. However, the poor formability and non-uniform corrosion of Mg alloy stents hinder their clinical application of CVS. This review focuses on the development of Mg alloys for CVS in recent years.According to the results of bibliometric analysis, we analyzed different biodegradable Mg alloy systems. Moreover, the structural design strategies for Mg alloy stents that can reduce the stress concentration, as well as the surface modification methods to control the corrosion behavior and biological performance of Mg alloy stents are also highlighted. At last, this review systematically discussed the potential directions and challenges of biodegradable magnesium stents(BMgS) in cardiovascular fields.展开更多
Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is ...Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys.展开更多
To develop a high strength low alloy （HSLA） steel with high strength and high toughness, a series of martensitic steels were studied through alloying with various elements and thermodynamic simulation. The microstru...To develop a high strength low alloy （HSLA） steel with high strength and high toughness, a series of martensitic steels were studied through alloying with various elements and thermodynamic simulation. The microstructure and mechanical properties of the designed steel were investigated by optical microscopy, scanning electron microscopy, tensile testing and Charpy impact test. The results show that cementite exists between 500℃ and 700℃, M7C3 exits below 720℃, and they are much lower than the austenitizing temperature of the designed steel. Furthermore, the Ti（C,N） precipitate exists until 1280℃, which refines the microstructure and increases the strength and toughness. The optimal alloying components are 0.19% C, 1.19% Si, 2.83% Mn, 1.24% Ni, and 0.049% Ti; the tensile strength and the V notch impact toughness of the designed steel are more than 1500 MPa and 100 J, respectively.展开更多
A356 alloys are widely used in industries due to their excellent comprehensive performance.Sr is usually added in A356 alloys to improve their mechanical properties.There have been various experimental reports on the ...A356 alloys are widely used in industries due to their excellent comprehensive performance.Sr is usually added in A356 alloys to improve their mechanical properties.There have been various experimental reports on the optimal additional amount of Sr in A356 alloys,but their results are inevitably inconsistent.In this paper,a combination of computational thermodynamic and machine learning approaches was employed to determine the optimal Sr content in A356 alloys with the best mechanical properties.First,a self-consistent thermodynamic database of quaternary Al-Si-Mg-Sr system was established by means of the Calculation of PHAse Diagram technique supported by key experiments.Second,the fractions for solidified phase/structures of A356-xSr alloys predicted by Scheil simulation,together with the measured mechanical properties were set as the input dataset in the machine learning model to train the relation of“composition-microstructure-properties”.The optimal addition of Sr in A356 alloy was designed as 0.005 wt.%and validated by key experiments.Furthermore,such a combinatorial approach can help to understand the strengthening/toughening mechanisms of Sr-modified A356 alloys.It is also anticipated that the present approach may provide a feasible means for efficient and accurate design of various casting alloys and understanding the alloy strengthening/toughening mechanisms.展开更多
The diffusion-multiple method was used to determine the composition of Ti−6Al−4V−xMo−yZr alloy(0.45<x<12,0.5<y<14,wt.%),which can obtain an ultrafine α phase.Results show that Ti−6Al−4V−5Mo−7Zr alloy can ...The diffusion-multiple method was used to determine the composition of Ti−6Al−4V−xMo−yZr alloy(0.45<x<12,0.5<y<14,wt.%),which can obtain an ultrafine α phase.Results show that Ti−6Al−4V−5Mo−7Zr alloy can obtain an ultrafineαphase by using the α″phase assisted nucleation.The bimodal microstructure obtained with the heat-treatment process can confer the alloy with a good balance between the strength and plasticity.The deformation mechanism is the dislocation slip and the{1101}twinning in the primary α phase.The strengthening mechanism is α/β interface strengthening.The interface of(0001)α/(110)β has a platform−step structure,whereas(1120)α/(111)βinterface is flat with no steps.展开更多
RBF model,a new type of artificial neural network model was developed to design the content of carbon in low-alloy engineering steels.The errors of the ANN model are：MSE 0.052 1,MSRE 17.85%,and VOF 1.932 9.The result...RBF model,a new type of artificial neural network model was developed to design the content of carbon in low-alloy engineering steels.The errors of the ANN model are：MSE 0.052 1,MSRE 17.85%,and VOF 1.932 9.The results obtained are satisfactory.The method is a powerful aid for designing new steels.展开更多
A new superalloy without Co, Ta and Hf has been developed. The high temperature creep properties of the alloy approach to that of Mar-M246 superallov and with good antioxidation and anticorrosion abilities.
Micro-alloying design of wrought magnesium(Mg) alloys is an important strategy to achieve high mechanical properties at a low cost. In the last two decades, significant progress has been made from both theory and expe...Micro-alloying design of wrought magnesium(Mg) alloys is an important strategy to achieve high mechanical properties at a low cost. In the last two decades, significant progress has been made from both theory and experiment. In the present review, we try to summarize recent advances in micro-alloying design of wrought Mg alloys from both theoretical and pragmatic perspectives, and provide fundamental data required for establishing the relationship between chemical composition and mechanical properties of Mg alloys. We start with theoretical attempts for understanding the mechanical properties of Mg alloys at different scales, by involving first principle calculations,molecular dynamics, cellular automata, and crystal plasticity. Then, the role of alloying elements is discussed for a series of promising Mg alloys such as Mg-Al, Mg-Zn, Mg-RE(rare-earth element), Mg-Sn, and Mg-Ca families.Potential challenges in the micro-alloying design of Mg alloys are highlighted at the end. The review is expected to provide helpful guidance for the intelligent design of novel wrought Mg alloys and inspire more innovative ideas in this field.展开更多
Reducing the exploration of multi-principal element alloy space is a key challenge to design high-performance U-based high-entropy alloy(UHEA).Here,the best combination of multi-principal element can be efficiently ac...Reducing the exploration of multi-principal element alloy space is a key challenge to design high-performance U-based high-entropy alloy(UHEA).Here,the best combination of multi-principal element can be efficiently acquired because proposed alloying strategy and screening criteria can substantially reduce the space of alloy and thus accelerate alloy design,rather than enormous random combinations through a trial-and-error approach.To choose the best seed alloy and suitable dopants,the screening criteria include small anisotropy,high specific modulus,high dynamical stability,and high ductility.We therefore find a shortcut to design UHEA from typical binary(UTi and UNb)to ternary(UTiNb),qua-ternary(UTiNbTa),and quinary(UTiNbTaFe).Finally,we find a best bcc senary UHEA(UTiNbTaFeMo),which has highest hardness and yield strength,while maintains good ductility among all the candidates.Compared to overestimation from empirical strength-hardness relationship,improved strength prediction can be achieved using a parameter-free theory considering volume mismatch and temperature effect on yield strength.This finding indicates that larger volume mismatch corresponds to higher yield strength,agreeing with the available measurements.Moreover,the dynamical stability and mechanical properties of candidates are greatly enhanced with increasing the number of multi-principal element,indicating the feasibility and effectiveness of adopted alloying strategy.The increasing of multi-principal element cor-responds to the increasing valence electron concentration(VEC).Alternatively,the mechanical properties significantly improve as increasing VEC,agreeing with measurements for other various bcc HEAs.This work can speed up research and development of advanced UHEA by greatly reducing the space of alloy composition.展开更多
Wrought magnesium alloys attract special interests as lightweight structural material due to their homogeneous microstructure and enhanced mechanical properties compared to as-cast alloys.In this contribution,recent r...Wrought magnesium alloys attract special interests as lightweight structural material due to their homogeneous microstructure and enhanced mechanical properties compared to as-cast alloys.In this contribution,recent research and developments on wrought magnesium alloys are reviewed from the viewpoint of the alloy design,focusing on Mg-Al,Mg-Zn and Mg-rare earth(RE)systems.The effects of different alloying elements on the microstructure and mechanical properties are described considering their strengthening mechanisms,e.g.grain refinement,precipitation and texture hardening effect.Finally,the new alloy design and also the future research of wrought magnesium alloys to improve their mechanical properties are discussed.展开更多
Many researchers in China are actively engaged in the development of new types of wrought magnesium alloys with low cost or with high-performances and novel plastic processing technologies.The research activities are ...Many researchers in China are actively engaged in the development of new types of wrought magnesium alloys with low cost or with high-performances and novel plastic processing technologies.The research activities are funded primarily through four government-supported programs:the Key Technologies R&D Program of China,the National Basic Research Program of China,the National High-tech R&D Program of China,and the National Natural Science Foundation of China.The key R&D activities for the development of new wrought magnesium alloys in China are reviewed,and typical properties of some new alloys are summarized. More attentions are paid to high-strength wrought magnesium alloys and high-plasticity wrought magnesium alloys.Some novel plastic processing technologies,emerging in recent years,which aim to control deformation texture and to improve plasticity and formability especially at room temperature,are also introduced.展开更多
基金financially supported by the National Key Research and Development Program of China(2022YFB4600302)National Natural Science Foundation of China(52090041)+1 种基金National Natural Science Foundation of China(52104368)National Major Science and Technology Projects of China(J2019-VII-0010-0150)。
文摘Metal additive manufacturing(AM)has been extensively studied in recent decades.Despite the significant progress achieved in manufacturing complex shapes and structures,challenges such as severe cracking when using existing alloys for laser powder bed fusion(L-PBF)AM have persisted.These challenges arise because commercial alloys are primarily designed for conventional casting or forging processes,overlooking the fast cooling rates,steep temperature gradients and multiple thermal cycles of L-PBF.To address this,there is an urgent need to develop novel alloys specifically tailored for L-PBF technologies.This review provides a comprehensive summary of the strategies employed in alloy design for L-PBF.It aims to guide future research on designing novel alloys dedicated to L-PBF instead of adapting existing alloys.The review begins by discussing the features of the L-PBF processes,focusing on rapid solidification and intrinsic heat treatment.Next,the printability of the four main existing alloys(Fe-,Ni-,Al-and Ti-based alloys)is critically assessed,with a comparison of their conventional weldability.It was found that the weldability criteria are not always applicable in estimating printability.Furthermore,the review presents recent advances in alloy development and associated strategies,categorizing them into crack mitigation-oriented,microstructure manipulation-oriented and machine learning-assisted approaches.Lastly,an outlook and suggestions are given to highlight the issues that need to be addressed in future work.
基金Project(BE2011778)supported by Science and Technology Support Program of Jiangsu Province,ChinaProject(20133069014)supported by Aeronautical Science Foundation of China
文摘A new kind offl biomedical titanium alloy, Ti-35Nb-4Sn-6Mo-9Zr, composed of non-toxic elements Nb, Mo, Zr and Sn with lower elastic modulus and higher strength was designed based on d-electron alloy design theory and JMatPro software using orthogonal experiment. The microstructure and basic mechanical properties of designed alloy were investigated. The results show that the alloy is composed of single fl equiaxed grains after solution treatment at 800 ~C. Compared with Ti-6A1-4V, the mechanical properties of the designed alloy are more excellent： E=65 GPa, σb=834 MPa, σ0.2=802 MPa, and σ=11%, which is expected to become a promising new type implanted material. The research approach adopted can reduce the experimental time and cost effectively, and get the ideal experimental results.
文摘Applying calculation method in alloy design should be an important tendency due to its characters of inexpensive cost, high efficiency and prediction. DOS calculations of AuSn, AsSn and SbSn Sn- based alloys have been investigated by employing DV - Xa method, in which different cluster models were adopted to calculate electron structure.It is proved that some regulations must be taken into ac- count in order to carry out alloy design calculation successfully,which are described in this paper in detail.
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.
基金supported by the National Key R&D Program of China(No.2023YFB3812903)the National Natural Science Foundation of China(No.52231010)+1 种基金the 2022 Beijing Nova Program Cross Cooperation Program(No.20220484178)the project selected through the open competition mechanism of Ministry of Industry and Information Technology of China.
文摘The commonly used trial-and-error method of biodegradable Zn alloys is costly and blindness.In this study,based on the self-built database of biodegradable Zn alloys,two machine learning models are established by the first time to predict the ultimate tensile strength(UTS)and immersion corrosion rate(CR)of biodegradable Zn alloys.A real-time visualization interface has been established to design Zn-Mn based alloys;a representative alloy is Zn-0.4Mn-0.4Li-0.05Mg.Through tensile mechanical properties and immersion corrosion rate tests,its UTS reaches 420 MPa,and the prediction error is only 0.95%.CR is 73μm/a and the prediction error is 5.5%,which elevates 50 MPa grade of UTS and owns appropriate corrosion rate.Finally,influences of the selected features on UTS and CR are discussed in detail.The combined application of UTS and CR model provides a new strategy for synergistically regulating comprehens-ive properties of biodegradable Zn alloys.
基金support from the Youth Talent Project of Innovation-driven Plan at Central South University(Grant No.2282019SYLB026)is greatly acknowledgedsupport from the Fundamental Research Funds for the Central Universities of Central South University(Grant No.2019zzts854).
文摘High-throughput calculations/simulations are the prerequisite for the efficient design of high-performance materials.In this paper,a machine learning accelerated distributed task management system(Malac-Distmas)was developed to realize the high-throughput calculations(HTCs)and storage of various data.The machine learning was embedded in Malac-Distmas to densify the output data,reduce the amount of calculation and achieve the acceleration of high-throughput calculations.Based on the Malac-Distmas coupling with CALPHAD software,HTCs of thermodynamics,kinetics,and thermophysical properties,including Gibbs free energy,phase diagram,Scheil-Gulliver solidification simulation,thermodynamic properties,thermophysical properties,diffusion simulation,and precipitation simulation,have been performed for demonstration.Furthermore,it is highly anticipated that the Malac-Distmas can also be coupled with any calculation/simulation software/code,which provides a console model to achieve different types of HTCs for efficient alloy design.
基金the support of the Monash-IITB Academy Scholarshipthe Australian Research Council for funding the present research (DP190103592)。
文摘Machine learning(ML) models provide great opportunities to accelerate novel material development, offering a virtual alternative to laborious and resource-intensive empirical methods. In this work, the second of a two-part study, an ML approach is presented that offers accelerated digital design of Mg alloys. A systematic evaluation of four ML regression algorithms was explored to rationalise the complex relationships in Mg-alloy data and to capture the composition-processing-property patterns. Cross-validation and hold-out set validation techniques were utilised for unbiased estimation of model performance. Using atomic and thermodynamic properties of the alloys, feature augmentation was examined to define the most descriptive representation spaces for the alloy data. Additionally, a graphical user interface(GUI) webtool was developed to facilitate the use of the proposed models in predicting the mechanical properties of new Mg alloys. The results demonstrate that random forest regression model and neural network are robust models for predicting the ultimate tensile strength and ductility of Mg alloys, with accuracies of ~80% and 70% respectively. The developed models in this work are a step towards high-throughput screening of novel candidates for target mechanical properties and provide ML-guided alloy design.
基金the support of the Monash-IITB Academy Scholarshipfunded in part by the Australian Research Council (DP190103592)。
文摘Typically, magnesium alloys have been designed using a so-called hill-climbing approach, with rather incremental advances over the past century. Iterative and incremental alloy design is slow and expensive, but more importantly it does not harness all the data that exists in the field. In this work, a new approach is proposed that utilises data science and provides a detailed understanding of the data that exists in the field of Mg-alloy design to date. In this approach, first a consolidated alloy database that incorporates 916 datapoints was developed from the literature and experimental work. To analyse the characteristics of the database, alloying and thermomechanical processing effects on mechanical properties were explored via composition-process-property matrices. An unsupervised machine learning(ML) method of clustering was also implemented, using unlabelled data, with the aim of revealing potentially useful information for an alloy representation space of low dimensionality. In addition, the alloy database was correlated to thermodynamically stable secondary phases to further understand the relationships between microstructure and mechanical properties. This work not only introduces an invaluable open-source database, but it also provides, for the first-time data, insights that enable future accelerated digital Mg-alloy design.
基金supported by the National Natural Science Foundation of China(No.52273280)the Creative Research Groups of China(No.51921001).
文摘High-entropy alloys(HEAs),which were introduced as a pioneering concept in 2004,have captured the keen interest of nu-merous researchers.Entropy,in this context,can be perceived as representing disorder and randomness.By contrast,elemental composi-tions within alloy systems occupy specific structural sites in space,a concept referred to as structure.In accordance with Shannon entropy,structure is analogous to information.Generally,the arrangement of atoms within a material,termed its structure,plays a pivotal role in dictating its properties.In addition to expanding the array of options for alloy composites,HEAs afford ample opportunities for diverse structural designs.The profound influence of distinct structural features on the exceptional behaviors of alloys is underscored by numer-ous examples.These features include remarkably high fracture strength with excellent ductility,antiballistic capability,exceptional radi-ation resistance,and corrosion resistance.In this paper,we delve into various unique material structures and properties while elucidating the intricate relationship between structure and performance.
基金funded by the Natural Science Foundation of Chongqing (cstc2021jcyj-msxmX0993)the Chongqing Academician Special Fund (2022YSZXJCX0014CSTB)+1 种基金National Natural Science Foundation of China (52225101)the China Postdoctoral Science Foundation (2022M720551)。
文摘Biodegradable magnesium(Mg) alloys are expected to be promising materials for cardiovascular stents(CVS), which can avoid the longterm clinical problems of current CVS, such as in-stent restenosis, late stent thrombosis, etc. Mg alloy stents exhibit superior biocompatibility and tunable biodegradability, compared with conventional permanent metallic stents. However, the poor formability and non-uniform corrosion of Mg alloy stents hinder their clinical application of CVS. This review focuses on the development of Mg alloys for CVS in recent years.According to the results of bibliometric analysis, we analyzed different biodegradable Mg alloy systems. Moreover, the structural design strategies for Mg alloy stents that can reduce the stress concentration, as well as the surface modification methods to control the corrosion behavior and biological performance of Mg alloy stents are also highlighted. At last, this review systematically discussed the potential directions and challenges of biodegradable magnesium stents(BMgS) in cardiovascular fields.
基金Project(51071181)supported by the National Natural Science Foundation of ChinaProject(2013FJ4043)supported by the Natural Science Foundation of Hunan Province,China
文摘Taking Au?Cu system as an example, three discoveries and two methods were presented. First, a new way for boosting sustainable progress of systematic metal materials science (SMMS) and alloy gene engineering (AGE) is to establish holographic alloy positioning design (HAPD) system, of which the base consists of measurement and calculation center, SMMS center, AGE center, HAPD information center and HAPD cybernation center; Second, the resonance activating-sychro alternating mechanism of atom movement may be divided into the located and oriented diffuse modes; Third, the equilibrium and subequilibrium holographic network phase diagrams are blueprints and operable platform for researchers to discover, design, manufacture and deploy advanced alloys, which are obtained respectively by the equilibrium lever numerical method and cross point numerical method of isothermal Gibbs energy curves. As clicking each network point, the holographic information of three structure levels for the designed alloy may be readily obtained: the phase constitution and fraction, phase arranging structure and properties of organization; the composition, alloy gene arranging structure and properties of each phase and the electronic structures and properties of alloy genes. It will create a new era for network designing advanced alloys.
基金financially supported by the Scientific Research Foundation of Guangxi University (No.XBZ110407)
文摘To develop a high strength low alloy （HSLA） steel with high strength and high toughness, a series of martensitic steels were studied through alloying with various elements and thermodynamic simulation. The microstructure and mechanical properties of the designed steel were investigated by optical microscopy, scanning electron microscopy, tensile testing and Charpy impact test. The results show that cementite exists between 500℃ and 700℃, M7C3 exits below 720℃, and they are much lower than the austenitizing temperature of the designed steel. Furthermore, the Ti（C,N） precipitate exists until 1280℃, which refines the microstructure and increases the strength and toughness. The optimal alloying components are 0.19% C, 1.19% Si, 2.83% Mn, 1.24% Ni, and 0.049% Ti; the tensile strength and the V notch impact toughness of the designed steel are more than 1500 MPa and 100 J, respectively.
基金supported by the National Key Research and Development Program of China(Grant No.2019YFB2006500)the Youth Talent Project of Innovation-driven Plan at Central South University(Grant No.2282019SYLB026)+2 种基金the financial support from the Fundamental Research Funds for the Central Universities of Central South University(Grant No.2021zzts0094)the financial support from the Natural Science Foundation of China(Grant No.52061007)the Guangxi Natural Science Foundation(Grant No.2019GXNSFAA245003)。
文摘A356 alloys are widely used in industries due to their excellent comprehensive performance.Sr is usually added in A356 alloys to improve their mechanical properties.There have been various experimental reports on the optimal additional amount of Sr in A356 alloys,but their results are inevitably inconsistent.In this paper,a combination of computational thermodynamic and machine learning approaches was employed to determine the optimal Sr content in A356 alloys with the best mechanical properties.First,a self-consistent thermodynamic database of quaternary Al-Si-Mg-Sr system was established by means of the Calculation of PHAse Diagram technique supported by key experiments.Second,the fractions for solidified phase/structures of A356-xSr alloys predicted by Scheil simulation,together with the measured mechanical properties were set as the input dataset in the machine learning model to train the relation of“composition-microstructure-properties”.The optimal addition of Sr in A356 alloy was designed as 0.005 wt.%and validated by key experiments.Furthermore,such a combinatorial approach can help to understand the strengthening/toughening mechanisms of Sr-modified A356 alloys.It is also anticipated that the present approach may provide a feasible means for efficient and accurate design of various casting alloys and understanding the alloy strengthening/toughening mechanisms.
基金Projects(2016YFB0701301,2018YFB0704100)supported by the National Key Technologies R&D Program of ChinaProjects(51901251,51671218,51501229)supported by the National Natural Science Foundation of ChinaProject(2020JJ5750)supported by the Natural Science Foundation of Hunan Province,China。
文摘The diffusion-multiple method was used to determine the composition of Ti−6Al−4V−xMo−yZr alloy(0.45<x<12,0.5<y<14,wt.%),which can obtain an ultrafine α phase.Results show that Ti−6Al−4V−5Mo−7Zr alloy can obtain an ultrafineαphase by using the α″phase assisted nucleation.The bimodal microstructure obtained with the heat-treatment process can confer the alloy with a good balance between the strength and plasticity.The deformation mechanism is the dislocation slip and the{1101}twinning in the primary α phase.The strengthening mechanism is α/β interface strengthening.The interface of(0001)α/(110)β has a platform−step structure,whereas(1120)α/(111)βinterface is flat with no steps.
文摘RBF model,a new type of artificial neural network model was developed to design the content of carbon in low-alloy engineering steels.The errors of the ANN model are：MSE 0.052 1,MSRE 17.85%,and VOF 1.932 9.The results obtained are satisfactory.The method is a powerful aid for designing new steels.
文摘A new superalloy without Co, Ta and Hf has been developed. The high temperature creep properties of the alloy approach to that of Mar-M246 superallov and with good antioxidation and anticorrosion abilities.
基金the financial supports from the National Natural Science Foundation of China (Nos. U1764253, U2037601, 52001037, 51971044, 52101126)the National Defense Basic Scientific Research Program of China, China Postdoctoral Science Foundation (No. 2021M700566)+3 种基金the Natural Science Foundation of Chongqing, China (No. cstc2019jcyjmsxm X0234)Chongqing Science and Technology Commission, China (No. cstc2017zdcyzdzx X0006)Chongqing Scientific and Technological Talents Program, China (No. KJXX2017002)Qinghai Science and Technology Program, China (No. 2018-GX-A1)。
文摘Micro-alloying design of wrought magnesium(Mg) alloys is an important strategy to achieve high mechanical properties at a low cost. In the last two decades, significant progress has been made from both theory and experiment. In the present review, we try to summarize recent advances in micro-alloying design of wrought Mg alloys from both theoretical and pragmatic perspectives, and provide fundamental data required for establishing the relationship between chemical composition and mechanical properties of Mg alloys. We start with theoretical attempts for understanding the mechanical properties of Mg alloys at different scales, by involving first principle calculations,molecular dynamics, cellular automata, and crystal plasticity. Then, the role of alloying elements is discussed for a series of promising Mg alloys such as Mg-Al, Mg-Zn, Mg-RE(rare-earth element), Mg-Sn, and Mg-Ca families.Potential challenges in the micro-alloying design of Mg alloys are highlighted at the end. The review is expected to provide helpful guidance for the intelligent design of novel wrought Mg alloys and inspire more innovative ideas in this field.
基金National Natural Science Foundation of China(No.51871175)111 project 2.0(No.BP0618008).
文摘Reducing the exploration of multi-principal element alloy space is a key challenge to design high-performance U-based high-entropy alloy(UHEA).Here,the best combination of multi-principal element can be efficiently acquired because proposed alloying strategy and screening criteria can substantially reduce the space of alloy and thus accelerate alloy design,rather than enormous random combinations through a trial-and-error approach.To choose the best seed alloy and suitable dopants,the screening criteria include small anisotropy,high specific modulus,high dynamical stability,and high ductility.We therefore find a shortcut to design UHEA from typical binary(UTi and UNb)to ternary(UTiNb),qua-ternary(UTiNbTa),and quinary(UTiNbTaFe).Finally,we find a best bcc senary UHEA(UTiNbTaFeMo),which has highest hardness and yield strength,while maintains good ductility among all the candidates.Compared to overestimation from empirical strength-hardness relationship,improved strength prediction can be achieved using a parameter-free theory considering volume mismatch and temperature effect on yield strength.This finding indicates that larger volume mismatch corresponds to higher yield strength,agreeing with the available measurements.Moreover,the dynamical stability and mechanical properties of candidates are greatly enhanced with increasing the number of multi-principal element,indicating the feasibility and effectiveness of adopted alloying strategy.The increasing of multi-principal element cor-responds to the increasing valence electron concentration(VEC).Alternatively,the mechanical properties significantly improve as increasing VEC,agreeing with measurements for other various bcc HEAs.This work can speed up research and development of advanced UHEA by greatly reducing the space of alloy composition.
文摘Wrought magnesium alloys attract special interests as lightweight structural material due to their homogeneous microstructure and enhanced mechanical properties compared to as-cast alloys.In this contribution,recent research and developments on wrought magnesium alloys are reviewed from the viewpoint of the alloy design,focusing on Mg-Al,Mg-Zn and Mg-rare earth(RE)systems.The effects of different alloying elements on the microstructure and mechanical properties are described considering their strengthening mechanisms,e.g.grain refinement,precipitation and texture hardening effect.Finally,the new alloy design and also the future research of wrought magnesium alloys to improve their mechanical properties are discussed.
基金Project(50725413)supported by the National Natural Science Foundation of ChinaProject(2007CB613704)supported by the National Basic Research Program of ChinaProject(2008DFR50040)supported by the International Cooperation Program of Ministry of Science and Technology of China
文摘Many researchers in China are actively engaged in the development of new types of wrought magnesium alloys with low cost or with high-performances and novel plastic processing technologies.The research activities are funded primarily through four government-supported programs:the Key Technologies R&D Program of China,the National Basic Research Program of China,the National High-tech R&D Program of China,and the National Natural Science Foundation of China.The key R&D activities for the development of new wrought magnesium alloys in China are reviewed,and typical properties of some new alloys are summarized. More attentions are paid to high-strength wrought magnesium alloys and high-plasticity wrought magnesium alloys.Some novel plastic processing technologies,emerging in recent years,which aim to control deformation texture and to improve plasticity and formability especially at room temperature,are also introduced.
