An issue of current interest in the use of machine learning models to predict compositions of materials is their reliability in predicting outcomes with elements not included in the training data.We show that the phas...An issue of current interest in the use of machine learning models to predict compositions of materials is their reliability in predicting outcomes with elements not included in the training data.We show that the phase diagram of the ceramic(Ba_(1-x-y)Ca_(x)Sr_(y))(Ti_(1-u-v-w)Zr_(u)Sn_(v)Hf_(w))O_(3)can be accurately predicted if the feature values of unknown elements do not exceed the range of values for existing elements in the training data.In particular,we employ physical features as descriptors and compositions as weights to show that by excluding an element,such as Zr,Sn or Hf from the training set and treating it as an unknown element,the machine learning model accurately predicts the property only if the feature values of the unknown element does not exceed the range of values of existing elements in the training set.By adding a small amount of data for the unknown element restores the prediction accuracy.We demonstrate this for BaTiO_(3)ceramics doped with rare earth elements where the prediction accuracy is restored if the physical feature space is suitably enlarged with training data.The prediction error increases with the Euclidean distance of the testing sample relative to the nearest training sample in the physical feature space.Our work provides an effective strategy for extending machine learning models for material compositions beyond the scope of available data.展开更多
Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler ...Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler metals is ever-increasing.It is of great significance to investigate the optimized composition design methods and to establish systematic design guidelines for brazing filler metals.This study elucidated the fundamental rules for the composition design of brazing filler metals from a three-dimensional perspective encompassing the basic properties of applied brazing filler metals,formability and processability,and overall cost.The basic properties of brazing filler metals refer to their mechanical properties,physicochemical properties,electromagnetic properties,corrosion resistance,and the wettability and fluidity during brazing.The formability and processability of brazing filler metals include the processes of smelting and casting,extrusion,rolling,drawing and ring-making,as well as the processes of granulation,powder production,and the molding of amorphous and microcrystalline structures.The cost of brazing filler metals corresponds to the sum of materials value and manufacturing cost.Improving the comprehensive properties of brazing filler metals requires a comprehensive and systematic consideration of design indicators.Highlighting the unique characteristics of brazing filler metals should focus on relevant technical indicators.Binary or ternary eutectic structures can effectively enhance the flow spreading ability of brazing filler metals,and solid solution structures contribute to the formability.By employing the proposed design guidelines,typical Ag based,Cu based,Zn based brazing filler metals,and Sn based solders were designed and successfully applied in major scientific and engineering projects.展开更多
Nickel-based superalloys are indispensable for high-temperature engineering applications,yet their additive manufacturing(AM)is plagued by significant cracking defects.This review investigates crack failure mechanisms...Nickel-based superalloys are indispensable for high-temperature engineering applications,yet their additive manufacturing(AM)is plagued by significant cracking defects.This review investigates crack failure mechanisms in AM nickel-based superalloys,emphasizing methodologies to evaluate crack sensitivity and compositional design strategies to mitigate defects.Key crack types—solidification,liquation,solid-state,stress corrosion,fatigue,and creep-fatigue cracks—are analyzed,with focus on formation mechanisms driven by thermal gradients,solute segregation,and microstructural heterogeneities.Evaluation frameworks such as the Rappaz-Drezet-Gremaud(RDG)criterion,Solidification Cracking Index(SCI),and Strain Age Cracking(SAC)index are reviewed for predicting crack susceptibility through integration of thermodynamic parameters,solidification kinetics,and mechanical properties.Alloy compositional design strategies are presented,including optimization of strengthening elements(Al,Ti),grain boundary modifiers(B,Zr,Re),and impurity control(C,O),which suppress crack initiation and propagation via microstructure refinement and enhanced high-temperature resistance.Computational approaches,such as thermodynamically assisted design,high-throughput experimentation,and machine learning,are highlighted for decoding complex composition-structure-property relationships.Challenges in modeling multi-scale defect interactions and developing unified frameworks for manufacturing-and service-induced cracks are outlined.This review underscores the necessity of integrated computational-experimental strategies to advance reliable AM of nickel-based superalloys,providing insights for defect prediction,alloy optimization,and process control.展开更多
Gold-platinum(Au-Pt)alloy has aroused considerable attention due to its ultra-low magnetic susceptibility(MS)in testing mass(TM)on spacecraft.However,the effect of Au content on the properties of the alloy has not yet...Gold-platinum(Au-Pt)alloy has aroused considerable attention due to its ultra-low magnetic susceptibility(MS)in testing mass(TM)on spacecraft.However,the effect of Au content on the properties of the alloy has not yet been understood.In this study,the composition design of Au-Pt alloy with ultra-low MS was achieved through density functional theory(DFT)and experimental methods.The elastic,thermal properties and electronic structure were systematically investigated,the composition range was further optimized and Au75Pt25 was determined to be the most suitable alloy for TM material.The phase composition of this alloy after cold rolling and solid solution was characterized,indicating a single-phase FCC structure.In addition,there is a good validation between the experimental Vickers hardness and the DFT results.This work provides new insights into the compositional optimization of Au-Pt alloys and lays the foundation for alloy development.展开更多
Ni-based superalloys play a critical role in the aerospace industry due to their exceptional mechanical properties and oxidation resistance.However,the conventional development of new superalloys is often constrained ...Ni-based superalloys play a critical role in the aerospace industry due to their exceptional mechanical properties and oxidation resistance.However,the conventional development of new superalloys is often constrained by lengthy experimental cycles and high costs.To address these challenges,machine learning has emerged as an effective strategy for accelerating alloy design by efficiently exploring composition-property relationship,optimizing processing parameters,and enhancing predictive accuracy.This review summarizes recent progress in applying machine learning to composition optimization and mechanical property prediction of Ni-based superalloys,emphasizing the integration of theoretical modeling and experimental validation.The importance of feature engineering,including data collection,preprocessing,feature construction,and dimensionality reduction,was first highlighted.Subsequently,the machine learning approaches for novel alloy design and prediction of key properties including fatigue resistance,creep resistance,and oxidation resistance were discussed.Through data-driven approaches,machine learning not only enhances predictive capabilities but also uncovers complex composition-property relationship,which accelerates the development of next-generation Ni-based superalloys.We anticipate that the continued advancements in this field will drive more efficient and cost-effective alloy design,ultimately accelerating the transition from computational predictions to experimental realizations.展开更多
Determining the optimal ceramic content of the ceramics-in-polymer composite electrolytes and the appropriate stack pressure can effectively improve the interfacial contact of solid-state batteries(SSBs).Based on the ...Determining the optimal ceramic content of the ceramics-in-polymer composite electrolytes and the appropriate stack pressure can effectively improve the interfacial contact of solid-state batteries(SSBs).Based on the contact mechanics model and constructed by the conjugate gradient method,continuous convolution,and fast Fourier transform,this paper analyzes and compares the interfacial contact responses involving the polymers commonly used in SSBs,which provides the original training data for machine learning.A support vector regression model is established to predict the relationship between the content of ceramics and the interfacial resistance.The Bayesian optimization and K-fold cross-validation are introduced to find the optimal combination of hyperparameters,which accelerates the training process and improves the model’s accuracy.We found the relationship between the content of ceramics,the stack pressure,and the interfacial resistance.The results can be taken as a reference for the design of the low-resistance composite electrolytes for solid-state batteries.展开更多
Aluminum alloys with ultra-strength and high-toughness are fundamental structural materials applied in the aerospace industry.Due to the intrinsic restriction between strength and toughness,optimizing a desirable comb...Aluminum alloys with ultra-strength and high-toughness are fundamental structural materials applied in the aerospace industry.Due to the intrinsic restriction between strength and toughness,optimizing a desirable combination of these conflicting properties is always challenging in material development.In this study,171 sets of data were curated based on the characteristics of high-strength and high-toughness aluminum alloys in the literature.Then,a machine learning design system(MLDS)with a property-oriented design strategy was established to rapidly discover novel aluminum alloys with ductility and toughness indexes(with elongationδ=8%–10%and fracture toughness K_(IC)=33–35 MPa·m^(1/2))comparable to those of current state-of-the-art AA7136 aluminum alloys when the ultimate tensile strength(UTS)exceeded approximately 100 MPa,with values reaching 700–750 MPa.With the MLDS for experimental verification,three typical candidate alloys show satisfactory performance with UTS of 707–736 MPa,δof 7.8%–9.5%,and K_(IC)of 32.2–33.9 MPa·m^(1/2).The high contents of Mg and Zn alloying elements in the novel alloys form abundantη'phases,which produce a significant hardening effect,while the reasonable matching of Cr,Mn,Ti and Zr dispersoids refines the grain size.The decreased Cu content compared with that in the AA7136 alloy inhibits the formation of theσphase and S phase,so that the alloys show high toughness.展开更多
In this study,α+βTi-Al-V-Mo-Nb alloys with the addition of multiple elements that are suitable for laser additive manufacturing(LAM)were designed according to a Ti-6Al-4V cluster formula.This formula can be expresse...In this study,α+βTi-Al-V-Mo-Nb alloys with the addition of multiple elements that are suitable for laser additive manufacturing(LAM)were designed according to a Ti-6Al-4V cluster formula.This formula can be expressed as 12[Al-Ti12](AlTi2)+5[Al-Ti14]((Mo,V,Nb)2Ti),in which Mo and Nb were added into the alloys partially instead of V to give alloys with nominal compositions of Ti-6.01Al-3.13V-1.43Nb,Ti-5.97Al-2.33V-2.93Mo,and Ti-5.97Al-2.33V-2.20Mo-0.71Nb(wt.%).The microstructures and mechanical properties of the as-deposited and heat-treated samples prepared via LAM were examined.The sizes of theβcolumnar grains andαlaths in the Nb-containing samples are found to be larger than those of the Ti-6Al-4V alloy,whereas Mo-or Mo/Nb-added alloys contain finer grains.It indicates that Nb gives rise to coarsenedβcolumnar grains andαlaths,while Mo significantly refines them.Furthermore,the single addition of Nb improves the elongation,whereas the single addition of Mo enhances the strength of the alloys.The simultaneous addition of Mo/Nb significantly improves the comprehensive mechanical properties of the alloys,leading to the best properties with an ultimate tensile strength of 1,070 MPa,a yield strength of 1,004 MPa,an elongation of 9%,and micro-hardness of 355 HV.The fracture modes of all the alloys are ductile-brittle mixed fracture.展开更多
Different multidisciplinary design optimization （MDO） problems are formulated and compared. Two MDO formulations are applied to a sounding rocket in order to optimize the performance of the rocket. In the MDO of the...Different multidisciplinary design optimization （MDO） problems are formulated and compared. Two MDO formulations are applied to a sounding rocket in order to optimize the performance of the rocket. In the MDO of the referred vehicle, three disciplines have been considered, which are trajectory, propulsion and aerodynamics. A special design structure matrix is developed to assist data exchange between disciplines. This design process uses response surface method （RSM） for multidisciplinary optimization of the rocket. The RSM is applied to the design in two categories： the propulsion model and the system level. In the propulsion model, RSM determines an approximate mathematical model of the engine output parameters as a function of design variables. In the system level, RSM fits a surface of objective function versus design variables. In the first MDO problem formulation, two design variables are selected to form propulsion discipline. In the second one, three new design variables from geometry are added and finally, an optimization method is applied to the response surface in the system level in order to find the best result. Application of the first developed multidisciplinary design optimization procedure increased accessible altitude （performance index） of the referred sounding rocket by twenty five percents and the second one twenty nine.展开更多
Oscillating heat pipes (OHPs) are very promising cooling devices. Their heat transfer performance is af- fected by many factors, and the form of the relationship between the performance and the factors is complex and ...Oscillating heat pipes (OHPs) are very promising cooling devices. Their heat transfer performance is af- fected by many factors, and the form of the relationship between the performance and the factors is complex and non-linear. In this paper, the effects of charging ratio, inclination angle, and heat input and their interaction effects on heat transfer performance of a looped copper-water OHP are analyzed. First, suppose that the relationship between the response and the variables approximates a second-order model. And use the central composite design to arrange the ex- periment. Then, the method of least squares is used to estimate the parameters in the second-order model. Finally, multi- variate variance analysis is used to analyze the model. The results show that the assumption is right, that is to say, the re- lationship is well modeled by a second-order function. Among the three main effect variables, the effect of inclination angle is the most significant, but their interaction effects are not significant. In the range of the considered factors, both the optimum charging ratio and the optimum inclination angle increase as the heating water flow rate increases.展开更多
The photocatalytic degradation kinetics of carbofuran was optimized by central composite design based on response surface methodology for the first time. Three variables, TiO2 concentration, initial pH value and the c...The photocatalytic degradation kinetics of carbofuran was optimized by central composite design based on response surface methodology for the first time. Three variables, TiO2 concentration, initial pH value and the concentration of carbofuran, were selected to determine the dependence of degradation efficiencies on independent variables. Response surface methodology modeling results indicated that the degradation efficiency of carbofuran was highly affected by the initial pH value and the concentration of carbofuran. Then nine degradation intermediates were detected by HPLC/MS/MS. The Frontier Electron Densities of carbofuran were calculated to predict the active sites on carbofuran attacked by hydroxyl radicals and photoholes. Point charges were used to elucidate the chemisorption pattern on TiO2 catalysts during the photocatalytic process. By combining the experimental results and calculation data, the photocatalytic degradation pathways of carbofuran were proposed, including the addition of hydroxyl radicals and the cleavage of the carbamate side chain.展开更多
The solidification paths of Al-Zn-Mg-Cu alloys and its precipitation behavior are analyzed using software package JMatPro 6.0 for material property simulation of Al-base alloys.The microstructures of the experimental ...The solidification paths of Al-Zn-Mg-Cu alloys and its precipitation behavior are analyzed using software package JMatPro 6.0 for material property simulation of Al-base alloys.The microstructures of the experimental alloys are analyzed;the experimental results of microstructural analysis are in agreement with the thermodynamic prediction.Through orthogonal experimental method,this paper designs the composition of Al-Zn-Mg-Cu alloys by studying the variation of η(MgZn2) phase,S(Al2CuMg) phase,T(AlZnMgCu) phase amount and precipitation temperatures with different Zn,Mg and Cu contents.It is found that with the optimum mass fraction of Zn of 6.7%,Mg of 2.2%-2.5% and Cu of 1.6%-2.0%,the mass fraction of η phase can be up to 8.7%-9.22% and that of S phase and T phase can be lower than 0.5%.展开更多
The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional preha...The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the control of composition aided by Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition the modification of calcium is optimized in the light of composition design.展开更多
A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12...A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12)](AlTi_(2))+5[Al_(0.8)Si_(0.2)-Ti_(12)Zr_(2)](V_(0.8)Mo_(0.2)Nb_(1)Ti)features an enhancedβ-Ti via co-alloying of Zr,V,Mo,Nb and Si.The experimental results show that the cluster formula ofαandβphases in the novel alloy are respectivelyα-[Al-Ti_(11.5)Zr_(0.5)](Al_(1)Ti_(2))andβ-[Al_(0.8)Si_(0.2)-Ti_(13.2)Zr_(0.8)](V_(1)Mo_(0.4)Nb_(1.6)),both containing Zr elements.The fitted composition via the α andβphase cluster formulas has little difference with the actual alloy composition,suggesting that the validity of cluster-plus-glue-atom model in the alloy composition design.After hot isostatic pressing(HIP),both the Ti-6Al-4V and the novel alloy by LMD are characterized by prior-βcolumnar grains,while the typical<100>texture disappears.Compared with Ti-6Al-4V,Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy exhibits a combination of higher strength(1,056 MPa)and higher ductility(14%)at room temperature and higher strength(580 MPa)at 550℃ after HIP,and can potentially serves as LMD materials.展开更多
Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsincastiron. Akind of Si- M...Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsincastiron. Akind of Si- Mo- Cu ductileiron with rareearth Mg asnodularizer was designed accordingtothese valenceelectron structure parameters. Actual applicationtestsshow thatthelongevity of thisiron is 1.5 timesof thatof high manganesesteel. This accordance of theoretical results and actual effectsshows the composition design methodcan beused in othercastiron research.展开更多
Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice mo...Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C （M= Ti, Ta, Nh） systems and Co-V-C system were modeled. Solution parameters and thermodynamic： properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design.展开更多
Ti-Al-V-Zr quaternary titanium alloys were designed followingα-{[Al-Ti12](AlTi2)}17-n+β-{[Al-Ti12Zr2](V3)}n,where n=1-7(the number ofβunits),on the basis of the dual-cluster formula of popular Ti-6Al-4V alloy.Such ...Ti-Al-V-Zr quaternary titanium alloys were designed followingα-{[Al-Ti12](AlTi2)}17-n+β-{[Al-Ti12Zr2](V3)}n,where n=1-7(the number ofβunits),on the basis of the dual-cluster formula of popular Ti-6Al-4V alloy.Such an alloying strategy aims at strengthening the alloy via Zr and V co-alloying in theβ-Ti unit,based on the originalβformula[Al-Ti14](V2Ti)of Ti-6Al-4V alloy.The microstructures of the as-cast alloys by copper-mold suction-casting change from pureα(n=1)toα+α’martensite(n=7).When n is 6,Ti-5.6Al-6.8V-8.1Zr alloy reaches the highest ultimate tensile strength of 1,293 MPa and yield strength of 1,097 MPa,at the expense of a low elongation of 2%,mainly due to the presence of a large amount of acicularα’martensite.Its specific strength far exceeds that of Ti-6Al-4V alloy by 35%.展开更多
The conversion of rice hulls into fermentable saccharides was explored through steam pretreatment employing 2.5% SO_(2).The in teraction between temperature and time was assessed by means of the response surface metho...The conversion of rice hulls into fermentable saccharides was explored through steam pretreatment employing 2.5% SO_(2).The in teraction between temperature and time was assessed by means of the response surface method to achieve optimum contents of C6-sugars in water-insoluble solids(WIS)and C5-sugars in the liquor.Pretreatment carried out at 218℃ for 2.3 min released liquor containing 55.4 g/L of sugars(29.1 g/L of xylose).In parallel,the WIS was subjected to enzymatic saccharification using different solid and enzyme loads via an experimental design:assays using 22.0% WIS and 20.0 filter paper units(FPU)/g led to 90.6 g/L of glucose,corresponding to a yield of 86.4% and an overall yield of 72.4%.The data reported are the highest ever found for such raw material,making it attractive to compete with conventi on al lig no cellulosic biomass.展开更多
This study discussed the application of response surface methodology(RSM)and central composite rotatable design(CCRD)for modeling and optimization of the influence of some operating variables on the performance of a l...This study discussed the application of response surface methodology(RSM)and central composite rotatable design(CCRD)for modeling and optimization of the influence of some operating variables on the performance of a lab scale thickener for dewatering of tailing in the flotation circuit.Four thickener operating variables,namely feed flowrate,solid percent,flocculant dosage and feedwell height were changed during the tests based on CCRD.The ranges of values of the thickener variables used in the design were a feed flowrate of 9–21 L/min,solid percent of 8%–20%,flocculant dosage of 1.25–4.25 g/t and feedwell height of 16–26 cm.A total of 30 thickening tests were conducted using lab scale thickener on flotation tailing obtained from the Sarcheshmeh copper mine,Iran.The underflow solid percent and bed height were expressed as functions of four operating parameters of thickener.Predicted values were found to be in good agreement with experimental values(R2values of 0.992 and 0.997 for underflow solid percent and bed height,respectively).This study has shown that the RSM and CCRD could effciently be applied for the modeling of thickener for dewatering of flotation tailing.展开更多
The paper presents an analytical study of the helicopter rotor vibratory loadreduction design optimization with aeroelastic stability constraints. The composite rotor blade ismodeled by beam type finite elements, and ...The paper presents an analytical study of the helicopter rotor vibratory loadreduction design optimization with aeroelastic stability constraints. The composite rotor blade ismodeled by beam type finite elements, and warping deformation is taken into consideration for2-dimension analysis, while the one-dimension nonlinear differential equations of blade motion areformulated via Hamilton's principle. The rotor hub vibratory loads is chosen as the objectivefunction, while rotor blade section construction parameter, composite material ply structure andblade tip swept angle as the design variables, and au-torotation inertia, natural frequency andaeroelastic stability as the constraints. A 3-bladed rotor is designed, as an example, based on thevibratory hub load reduction optimization process with swept tip angle and composite material. Thecalculating results show a 24. 9 percent-33 percent reduction of 3/rev hub loads in comparison withthe base-line rotor.展开更多
基金supported by grants from National Natural Science Foundation of China(52303295,52173217)National Key Research and Development Program of China(2022YFB3807401)111 project(B170003)and Yunnan Fundamental Research Projects(grant NO.202301BE070001-031).
文摘An issue of current interest in the use of machine learning models to predict compositions of materials is their reliability in predicting outcomes with elements not included in the training data.We show that the phase diagram of the ceramic(Ba_(1-x-y)Ca_(x)Sr_(y))(Ti_(1-u-v-w)Zr_(u)Sn_(v)Hf_(w))O_(3)can be accurately predicted if the feature values of unknown elements do not exceed the range of values for existing elements in the training data.In particular,we employ physical features as descriptors and compositions as weights to show that by excluding an element,such as Zr,Sn or Hf from the training set and treating it as an unknown element,the machine learning model accurately predicts the property only if the feature values of the unknown element does not exceed the range of values of existing elements in the training set.By adding a small amount of data for the unknown element restores the prediction accuracy.We demonstrate this for BaTiO_(3)ceramics doped with rare earth elements where the prediction accuracy is restored if the physical feature space is suitably enlarged with training data.The prediction error increases with the Euclidean distance of the testing sample relative to the nearest training sample in the physical feature space.Our work provides an effective strategy for extending machine learning models for material compositions beyond the scope of available data.
基金National Natural Science Foundation of China(U22A20191)。
文摘Brazing filler metals are widely applied,which serve as an industrial adhesive in the joining of dissimilar structures.With the continuous emergence of new structures and materials,the demand for novel brazing filler metals is ever-increasing.It is of great significance to investigate the optimized composition design methods and to establish systematic design guidelines for brazing filler metals.This study elucidated the fundamental rules for the composition design of brazing filler metals from a three-dimensional perspective encompassing the basic properties of applied brazing filler metals,formability and processability,and overall cost.The basic properties of brazing filler metals refer to their mechanical properties,physicochemical properties,electromagnetic properties,corrosion resistance,and the wettability and fluidity during brazing.The formability and processability of brazing filler metals include the processes of smelting and casting,extrusion,rolling,drawing and ring-making,as well as the processes of granulation,powder production,and the molding of amorphous and microcrystalline structures.The cost of brazing filler metals corresponds to the sum of materials value and manufacturing cost.Improving the comprehensive properties of brazing filler metals requires a comprehensive and systematic consideration of design indicators.Highlighting the unique characteristics of brazing filler metals should focus on relevant technical indicators.Binary or ternary eutectic structures can effectively enhance the flow spreading ability of brazing filler metals,and solid solution structures contribute to the formability.By employing the proposed design guidelines,typical Ag based,Cu based,Zn based brazing filler metals,and Sn based solders were designed and successfully applied in major scientific and engineering projects.
基金supported by the Aero Engine Corporation of China[Grant No.HFZL2022CXY029]the Young Elite Scientists Sponsorship Programby CAST[2022QNRC001]the High Performance Computing Center of Central South University,and the Project Supported by State Key Laboratory of Powder Metallurgy,Central South University,Changsha,China。
文摘Nickel-based superalloys are indispensable for high-temperature engineering applications,yet their additive manufacturing(AM)is plagued by significant cracking defects.This review investigates crack failure mechanisms in AM nickel-based superalloys,emphasizing methodologies to evaluate crack sensitivity and compositional design strategies to mitigate defects.Key crack types—solidification,liquation,solid-state,stress corrosion,fatigue,and creep-fatigue cracks—are analyzed,with focus on formation mechanisms driven by thermal gradients,solute segregation,and microstructural heterogeneities.Evaluation frameworks such as the Rappaz-Drezet-Gremaud(RDG)criterion,Solidification Cracking Index(SCI),and Strain Age Cracking(SAC)index are reviewed for predicting crack susceptibility through integration of thermodynamic parameters,solidification kinetics,and mechanical properties.Alloy compositional design strategies are presented,including optimization of strengthening elements(Al,Ti),grain boundary modifiers(B,Zr,Re),and impurity control(C,O),which suppress crack initiation and propagation via microstructure refinement and enhanced high-temperature resistance.Computational approaches,such as thermodynamically assisted design,high-throughput experimentation,and machine learning,are highlighted for decoding complex composition-structure-property relationships.Challenges in modeling multi-scale defect interactions and developing unified frameworks for manufacturing-and service-induced cracks are outlined.This review underscores the necessity of integrated computational-experimental strategies to advance reliable AM of nickel-based superalloys,providing insights for defect prediction,alloy optimization,and process control.
基金financially supported by the National Key R&D Program of China(No.2021YFC2202300)the National Natural Science Foundation of China(NSFC)(No.51974258)the National College Students Innovation and Entrepreneurship Training Program(No.S202210699134).
文摘Gold-platinum(Au-Pt)alloy has aroused considerable attention due to its ultra-low magnetic susceptibility(MS)in testing mass(TM)on spacecraft.However,the effect of Au content on the properties of the alloy has not yet been understood.In this study,the composition design of Au-Pt alloy with ultra-low MS was achieved through density functional theory(DFT)and experimental methods.The elastic,thermal properties and electronic structure were systematically investigated,the composition range was further optimized and Au75Pt25 was determined to be the most suitable alloy for TM material.The phase composition of this alloy after cold rolling and solid solution was characterized,indicating a single-phase FCC structure.In addition,there is a good validation between the experimental Vickers hardness and the DFT results.This work provides new insights into the compositional optimization of Au-Pt alloys and lays the foundation for alloy development.
基金financially supported by the National Natural Science Foundation of China(Nos.52201203 and 52471004)the Fundamental Research Funds for the Central Universities(No.N2423030)the Science and Technology Project of Hebei Education Department(No.QN2023155).
文摘Ni-based superalloys play a critical role in the aerospace industry due to their exceptional mechanical properties and oxidation resistance.However,the conventional development of new superalloys is often constrained by lengthy experimental cycles and high costs.To address these challenges,machine learning has emerged as an effective strategy for accelerating alloy design by efficiently exploring composition-property relationship,optimizing processing parameters,and enhancing predictive accuracy.This review summarizes recent progress in applying machine learning to composition optimization and mechanical property prediction of Ni-based superalloys,emphasizing the integration of theoretical modeling and experimental validation.The importance of feature engineering,including data collection,preprocessing,feature construction,and dimensionality reduction,was first highlighted.Subsequently,the machine learning approaches for novel alloy design and prediction of key properties including fatigue resistance,creep resistance,and oxidation resistance were discussed.Through data-driven approaches,machine learning not only enhances predictive capabilities but also uncovers complex composition-property relationship,which accelerates the development of next-generation Ni-based superalloys.We anticipate that the continued advancements in this field will drive more efficient and cost-effective alloy design,ultimately accelerating the transition from computational predictions to experimental realizations.
基金the National Natural Science Foundation of China(12102085)the Postdoctoral Science Foundation of China(2023M730504)the Sichuan Province Regional Innovation and Cooperation Project(2024YFHZ0210).
文摘Determining the optimal ceramic content of the ceramics-in-polymer composite electrolytes and the appropriate stack pressure can effectively improve the interfacial contact of solid-state batteries(SSBs).Based on the contact mechanics model and constructed by the conjugate gradient method,continuous convolution,and fast Fourier transform,this paper analyzes and compares the interfacial contact responses involving the polymers commonly used in SSBs,which provides the original training data for machine learning.A support vector regression model is established to predict the relationship between the content of ceramics and the interfacial resistance.The Bayesian optimization and K-fold cross-validation are introduced to find the optimal combination of hyperparameters,which accelerates the training process and improves the model’s accuracy.We found the relationship between the content of ceramics,the stack pressure,and the interfacial resistance.The results can be taken as a reference for the design of the low-resistance composite electrolytes for solid-state batteries.
基金supported by the National Natural Science Foundation of China(Nos.52090041,51921001,52022011)the Beijing Municipal Science and Technology Commission(Nos.Z191100007219002,Z191100001119125)the Key Scientific and Technological Project of Foshan City(No.1920001000409)
文摘Aluminum alloys with ultra-strength and high-toughness are fundamental structural materials applied in the aerospace industry.Due to the intrinsic restriction between strength and toughness,optimizing a desirable combination of these conflicting properties is always challenging in material development.In this study,171 sets of data were curated based on the characteristics of high-strength and high-toughness aluminum alloys in the literature.Then,a machine learning design system(MLDS)with a property-oriented design strategy was established to rapidly discover novel aluminum alloys with ductility and toughness indexes(with elongationδ=8%–10%and fracture toughness K_(IC)=33–35 MPa·m^(1/2))comparable to those of current state-of-the-art AA7136 aluminum alloys when the ultimate tensile strength(UTS)exceeded approximately 100 MPa,with values reaching 700–750 MPa.With the MLDS for experimental verification,three typical candidate alloys show satisfactory performance with UTS of 707–736 MPa,δof 7.8%–9.5%,and K_(IC)of 32.2–33.9 MPa·m^(1/2).The high contents of Mg and Zn alloying elements in the novel alloys form abundantη'phases,which produce a significant hardening effect,while the reasonable matching of Cr,Mn,Ti and Zr dispersoids refines the grain size.The decreased Cu content compared with that in the AA7136 alloy inhibits the formation of theσphase and S phase,so that the alloys show high toughness.
基金the National Key Research and Development Program of China(No.2016YFB1100103)the Key Discipline and Major Project of Dalian Science and Technology Innovation Foundation(No.2020JJ25CY004)。
文摘In this study,α+βTi-Al-V-Mo-Nb alloys with the addition of multiple elements that are suitable for laser additive manufacturing(LAM)were designed according to a Ti-6Al-4V cluster formula.This formula can be expressed as 12[Al-Ti12](AlTi2)+5[Al-Ti14]((Mo,V,Nb)2Ti),in which Mo and Nb were added into the alloys partially instead of V to give alloys with nominal compositions of Ti-6.01Al-3.13V-1.43Nb,Ti-5.97Al-2.33V-2.93Mo,and Ti-5.97Al-2.33V-2.20Mo-0.71Nb(wt.%).The microstructures and mechanical properties of the as-deposited and heat-treated samples prepared via LAM were examined.The sizes of theβcolumnar grains andαlaths in the Nb-containing samples are found to be larger than those of the Ti-6Al-4V alloy,whereas Mo-or Mo/Nb-added alloys contain finer grains.It indicates that Nb gives rise to coarsenedβcolumnar grains andαlaths,while Mo significantly refines them.Furthermore,the single addition of Nb improves the elongation,whereas the single addition of Mo enhances the strength of the alloys.The simultaneous addition of Mo/Nb significantly improves the comprehensive mechanical properties of the alloys,leading to the best properties with an ultimate tensile strength of 1,070 MPa,a yield strength of 1,004 MPa,an elongation of 9%,and micro-hardness of 355 HV.The fracture modes of all the alloys are ductile-brittle mixed fracture.
文摘Different multidisciplinary design optimization （MDO） problems are formulated and compared. Two MDO formulations are applied to a sounding rocket in order to optimize the performance of the rocket. In the MDO of the referred vehicle, three disciplines have been considered, which are trajectory, propulsion and aerodynamics. A special design structure matrix is developed to assist data exchange between disciplines. This design process uses response surface method （RSM） for multidisciplinary optimization of the rocket. The RSM is applied to the design in two categories： the propulsion model and the system level. In the propulsion model, RSM determines an approximate mathematical model of the engine output parameters as a function of design variables. In the system level, RSM fits a surface of objective function versus design variables. In the first MDO problem formulation, two design variables are selected to form propulsion discipline. In the second one, three new design variables from geometry are added and finally, an optimization method is applied to the response surface in the system level in order to find the best result. Application of the first developed multidisciplinary design optimization procedure increased accessible altitude （performance index） of the referred sounding rocket by twenty five percents and the second one twenty nine.
基金Supported by the Natural Science Foundation of Ministry of Education of Jiangsu Province (02KJB470001).
文摘Oscillating heat pipes (OHPs) are very promising cooling devices. Their heat transfer performance is af- fected by many factors, and the form of the relationship between the performance and the factors is complex and non-linear. In this paper, the effects of charging ratio, inclination angle, and heat input and their interaction effects on heat transfer performance of a looped copper-water OHP are analyzed. First, suppose that the relationship between the response and the variables approximates a second-order model. And use the central composite design to arrange the ex- periment. Then, the method of least squares is used to estimate the parameters in the second-order model. Finally, multi- variate variance analysis is used to analyze the model. The results show that the assumption is right, that is to say, the re- lationship is well modeled by a second-order function. Among the three main effect variables, the effect of inclination angle is the most significant, but their interaction effects are not significant. In the range of the considered factors, both the optimum charging ratio and the optimum inclination angle increase as the heating water flow rate increases.
基金supported by the National Natural Science Foundation of China (No.21207034, 21172064)the Provincial Natural Science Foundation of Hunan (No.10JJ2006)the Key Scientific Research Fund of Hunan Provincial Education Department (No.10A022)
文摘The photocatalytic degradation kinetics of carbofuran was optimized by central composite design based on response surface methodology for the first time. Three variables, TiO2 concentration, initial pH value and the concentration of carbofuran, were selected to determine the dependence of degradation efficiencies on independent variables. Response surface methodology modeling results indicated that the degradation efficiency of carbofuran was highly affected by the initial pH value and the concentration of carbofuran. Then nine degradation intermediates were detected by HPLC/MS/MS. The Frontier Electron Densities of carbofuran were calculated to predict the active sites on carbofuran attacked by hydroxyl radicals and photoholes. Point charges were used to elucidate the chemisorption pattern on TiO2 catalysts during the photocatalytic process. By combining the experimental results and calculation data, the photocatalytic degradation pathways of carbofuran were proposed, including the addition of hydroxyl radicals and the cleavage of the carbamate side chain.
文摘The solidification paths of Al-Zn-Mg-Cu alloys and its precipitation behavior are analyzed using software package JMatPro 6.0 for material property simulation of Al-base alloys.The microstructures of the experimental alloys are analyzed;the experimental results of microstructural analysis are in agreement with the thermodynamic prediction.Through orthogonal experimental method,this paper designs the composition of Al-Zn-Mg-Cu alloys by studying the variation of η(MgZn2) phase,S(Al2CuMg) phase,T(AlZnMgCu) phase amount and precipitation temperatures with different Zn,Mg and Cu contents.It is found that with the optimum mass fraction of Zn of 6.7%,Mg of 2.2%-2.5% and Cu of 1.6%-2.0%,the mass fraction of η phase can be up to 8.7%-9.22% and that of S phase and T phase can be lower than 0.5%.
文摘The improvement of machining behavior of prehardened-mould steel for plastic is realized by using computer-aided composition design in this work. The results showed that the matrix composition of large sectional prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the control of composition aided by Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition the modification of calcium is optimized in the light of composition design.
基金supported by the Natural Science Foundation of Shenyang,China(Grant No.22315605).
文摘A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12)](AlTi_(2))+5[Al_(0.8)Si_(0.2)-Ti_(12)Zr_(2)](V_(0.8)Mo_(0.2)Nb_(1)Ti)features an enhancedβ-Ti via co-alloying of Zr,V,Mo,Nb and Si.The experimental results show that the cluster formula ofαandβphases in the novel alloy are respectivelyα-[Al-Ti_(11.5)Zr_(0.5)](Al_(1)Ti_(2))andβ-[Al_(0.8)Si_(0.2)-Ti_(13.2)Zr_(0.8)](V_(1)Mo_(0.4)Nb_(1.6)),both containing Zr elements.The fitted composition via the α andβphase cluster formulas has little difference with the actual alloy composition,suggesting that the validity of cluster-plus-glue-atom model in the alloy composition design.After hot isostatic pressing(HIP),both the Ti-6Al-4V and the novel alloy by LMD are characterized by prior-βcolumnar grains,while the typical<100>texture disappears.Compared with Ti-6Al-4V,Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy exhibits a combination of higher strength(1,056 MPa)and higher ductility(14%)at room temperature and higher strength(580 MPa)at 550℃ after HIP,and can potentially serves as LMD materials.
文摘Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsincastiron. Akind of Si- Mo- Cu ductileiron with rareearth Mg asnodularizer was designed accordingtothese valenceelectron structure parameters. Actual applicationtestsshow thatthelongevity of thisiron is 1.5 timesof thatof high manganesesteel. This accordance of theoretical results and actual effectsshows the composition design methodcan beused in othercastiron research.
文摘Thermodynamic and kinetic study on TRIP （transformation induced plasticity） steels, cemented carbides and mold steel for plastics were carried out in order to design modern advanced materials. With the sublattice model, equilibrium compositions of ferrite and austenite phases in TRIP steels, as well as volume fraction of austenite at inter-critical temperatures for different time were calculated. Concentration profiles of carbon, manganese, aluminum and silicon in the steels were also estimated in the lattice fixed frame of reference. The effect of Si and Mn on TRIP was discussed according to thermodynamic and kinetic analyses. In order to understand and produce the graded nanophase structure of cemented carbides, miscellaneous phases in the M-Co-C （M= Ti, Ta, Nh） systems and Co-V-C system were modeled. Solution parameters and thermodynamic： properties were listed in detail. The improvement of machining behavior of prehardened mould steel for plastics was obtained by computer-aided composition design. The results showed that the matrix composition of large-section prehardened mould steel for plastic markedly influences the precipitation of non-metallic inclusion and the composition control by the aid of Thermo-Calc software package minimizes the amount of detrimental oxide inclusion. In addition, the modification of calcium was optimized in composition design.
基金financially supported by the Key Discipline and Major Project of Dalian Science and Technology Innovation Foundation(Grant No.2020JJ25CY004)the National Basic Research Program of China(Grant No.2020JCJQZD165)。
文摘Ti-Al-V-Zr quaternary titanium alloys were designed followingα-{[Al-Ti12](AlTi2)}17-n+β-{[Al-Ti12Zr2](V3)}n,where n=1-7(the number ofβunits),on the basis of the dual-cluster formula of popular Ti-6Al-4V alloy.Such an alloying strategy aims at strengthening the alloy via Zr and V co-alloying in theβ-Ti unit,based on the originalβformula[Al-Ti14](V2Ti)of Ti-6Al-4V alloy.The microstructures of the as-cast alloys by copper-mold suction-casting change from pureα(n=1)toα+α’martensite(n=7).When n is 6,Ti-5.6Al-6.8V-8.1Zr alloy reaches the highest ultimate tensile strength of 1,293 MPa and yield strength of 1,097 MPa,at the expense of a low elongation of 2%,mainly due to the presence of a large amount of acicularα’martensite.Its specific strength far exceeds that of Ti-6Al-4V alloy by 35%.
基金supported by Coordination for the Improvement of Higher Education Personnel Foundation,Mmistry of Education in Brazil(Grant No.POS-DOC-88881.170076/2018-01).
文摘The conversion of rice hulls into fermentable saccharides was explored through steam pretreatment employing 2.5% SO_(2).The in teraction between temperature and time was assessed by means of the response surface method to achieve optimum contents of C6-sugars in water-insoluble solids(WIS)and C5-sugars in the liquor.Pretreatment carried out at 218℃ for 2.3 min released liquor containing 55.4 g/L of sugars(29.1 g/L of xylose).In parallel,the WIS was subjected to enzymatic saccharification using different solid and enzyme loads via an experimental design:assays using 22.0% WIS and 20.0 filter paper units(FPU)/g led to 90.6 g/L of glucose,corresponding to a yield of 86.4% and an overall yield of 72.4%.The data reported are the highest ever found for such raw material,making it attractive to compete with conventi on al lig no cellulosic biomass.
基金supported by the National Iranian Copper Industry Co.
文摘This study discussed the application of response surface methodology(RSM)and central composite rotatable design(CCRD)for modeling and optimization of the influence of some operating variables on the performance of a lab scale thickener for dewatering of tailing in the flotation circuit.Four thickener operating variables,namely feed flowrate,solid percent,flocculant dosage and feedwell height were changed during the tests based on CCRD.The ranges of values of the thickener variables used in the design were a feed flowrate of 9–21 L/min,solid percent of 8%–20%,flocculant dosage of 1.25–4.25 g/t and feedwell height of 16–26 cm.A total of 30 thickening tests were conducted using lab scale thickener on flotation tailing obtained from the Sarcheshmeh copper mine,Iran.The underflow solid percent and bed height were expressed as functions of four operating parameters of thickener.Predicted values were found to be in good agreement with experimental values(R2values of 0.992 and 0.997 for underflow solid percent and bed height,respectively).This study has shown that the RSM and CCRD could effciently be applied for the modeling of thickener for dewatering of flotation tailing.
文摘The paper presents an analytical study of the helicopter rotor vibratory loadreduction design optimization with aeroelastic stability constraints. The composite rotor blade ismodeled by beam type finite elements, and warping deformation is taken into consideration for2-dimension analysis, while the one-dimension nonlinear differential equations of blade motion areformulated via Hamilton's principle. The rotor hub vibratory loads is chosen as the objectivefunction, while rotor blade section construction parameter, composite material ply structure andblade tip swept angle as the design variables, and au-torotation inertia, natural frequency andaeroelastic stability as the constraints. A 3-bladed rotor is designed, as an example, based on thevibratory hub load reduction optimization process with swept tip angle and composite material. Thecalculating results show a 24. 9 percent-33 percent reduction of 3/rev hub loads in comparison withthe base-line rotor.
