Towards data-efficient mechanical design of bicontinuous composites usinggenerative AI

The distribution of material phases is crucial to determine the composite’s mechanical property.While the full structure-mechanics relationship of highly ordered material distributions can be studied with finite number of cases,this relationship is difficult to be revealed for complex irregular distributions,preventing design of such material structures to meet certain mechanical requirements.The noticeable developments of artificial intelligence(AI)algorithms in material design enables to detect the hidden structure-mechanics correlations which is essential for designing composite of complex structures.It is intriguing how these tools can assist composite design.Here,we focus on the rapid generation of bicontinuous composite structures together with the stress distribution in loading.We find that generative AI,enabled through fine-tuned Low Rank Adaptation models,can be trained with a few inputs to generate both synthetic composite structures and the corresponding von Mises stress distribution.The results show that this technique is convenient in generating massive composites designs with useful mechanical information that dictate stiffness,fracture and robustness of the material with one model,and such has to be done by several different experimental or simulation tests.This research offers valuable insights for the improvement of composite design with the goal of expanding the design space and automatic screening of composite designs for improved mechanical functions.

High-strength Ti-Al-V-Zr cast alloys designed using α and β cluster formulas

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%.

A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy designed using cluster-plus-glue-atom model for laser additive manufacturing

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.

Optimization and Characterization of Cellulose Extraction from Grevillea robusta (Silky Oak) Leaves by Soda-Anthraquinone Pulping Using Response Surface Methodology

Response surface methodology (RSM) using the central composite design (CCD) was applied to examine the impact of soda-anthraquinone pulping conditions on Grevillea robusta fall leaves. The pulping factors studied were: NaOH charge 5% to 20% w/v, pulping time 30 to 180 minutes, and the anthraquinone charge 0.1 to 0.5% w/w based on the oven-dried leaves. The responses evaluated were the pulp yield, cellulose content, and the degree of delignification. Various regression models were used to evaluate the effects of varying the pulping conditions. The optimum conditions attained were;NaOH charge of 14.63%, 0.1% anthraquinone, and a pulping period of 154 minutes, corresponding to 20.68% pulp yield, 80.56% cellulose content, and 70.34% lignin removal. Analysis of variance (ANOVA), was used to determine the most important variables that improve the extraction process of cellulose. The experiment outcomes matched those predicted by the model (Predicted R2 = 0.9980, Adjusted R2 = 0.9994), demonstrating the adequacy of the model used. FTIR analysis confirmed the elimination of the non-cellulosic fiber constituents. The lignin and hemicellulose-related bands (around 1514 cm−1, 1604 cm−1, 1239 cm−1, and 1734 cm−1) decreased with chemical treatment, indicating effective cellulose extraction by the soda-anthraquinone method. Similar results were obtained by XRD, SEM and thermogravimetric analysis of the extracted cellulose. Therefore, Grevillea robusta fall leaves are suitable renewable, cost-effective, and environmentally friendly non-wood biomass for cellulose extraction.

Analysis of Heat Transfer Performance of Oscillating Heat Pipes Based on a Central Composite Design

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.

Effect of Variable Selection on Multidisciplinary Design Optimization:a Flight Vehicle Example

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.

Design for Ti-Al-V-Mo-Nb alloys for laser additive manufacturing based on a cluster model and on their microstructure and properties

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.

Computer Aided Composition Design of Prehardened-Mould Steel for Plastic

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.

PHASE STRUCTURE FACTOR AND INTERFACE CONJUNCTION FACTOR OF CAST IRON AND ITS COMPOSITION DESIGN

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.

Computer-Aided Design of Some Advanced Steels and Cemented Carbides

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.

Application of response surface methodology and central composite rotatable design for modeling the influence of some operating variables of the lab scale thickener performance

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.

Composite Rotor Blade Design Optimization for Vibration Reduction with Aeroelastic Constraints

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.

Design of an age hardening Mg-Li alloy and its aging behavior

An effort was made to design an age hardening Mg-Li alloy based on the phase diagrams calculated by means of 'THERMO-CALC'—a thermodynamic software. Experiments were carried out to verify the calculated results by melting the alloy and examining its structure and aging behavior. The results show that the alloy possesses a structure constituent as expected, besides, the alloy has apparent aging behavior and over aging happens even at lower temperature. Metastable (Mg, Li, Al, Zn) phase has been identified when the hardness reaches the aging peak. With the increase of the aging time, (Mg, Li, Al, Zn) phase transforms to stable α phase and over aging happens.

Erratum to: New high-strength Ti–Al–V–Mo alloy: from high-throughput composition design to mechanical properties

Erratum to:International Journal of Minerals, Metallurgy and Materials Volume 26, Number 9, September 2019, Page 1151https://doi.org/10.1007/s12613-019-1854-1The original version of this article unfortunately contained a mistake. The presentation of Fig. 11 was incorrect. The correct version is given below:

Application of Empirical Electron Theory of Solids and Molecules to Composition Design of Multi-Component Medium-Low-Alloy Steels

For austenitic octahedral segregation structure units, their pure mathematics statistic distribu!ive probability is calculated by the empirical electron theory （EET） of solids and molecules and K-B formula. The practical distributive probability can be obtained only if the statistic distribution of austenitic octahedral segregation structure units and the interaction of the alloying elements in steel are considered. Based on 8 groups of experimental data of original steels, three empirical formulas revealing relationships between material macromechanics factor （Sm） and tensile strength （ab）, or impact energy （AK）, or hardness （HRC） of multi-component medium-low-alloy steels were established, respectively. Through the three empirical formulas, new supersaturated carburizing steel has been successfully designed and developed. The other 2 groups of the original experimental steels are used as the standard steel for testing the percentage error of the new steel. The results show that the calculated values are well consistent with those of measured ones and the new supersaturated carburized steel can meet the requirements of the die assembly of cold-drawn seamless stainless steel tube of Taiyuan Iron ＆ Steel （Group） Company LTD.

Modeling and Optimization of Catalytic Dehydration of Ethanol to Ethylene Using Central Composite Design

The central composite design in the modeling and optimization of catalytic dehydration of ethanol to ethylene was performed to improve the ethylene yield.A total of 20 experiments at random were conducted to investigate the effect of reaction temperature,Si/Al ratios of H-ZSM-5 catalyst and liquid hourly space velocity(LHSV) on the ethylene yield.The results show that the relationship between ethylene yield and the three significant independent variables can be approximated by a nonlinear polynomial model,with R-squared of 99.9%and adjusted R-squared of 99.8%.The maximal response for ethylene yield is 93.4%under the optimal condition of 328 ℃,Si/Al ratio 85,and LHSV 3.8 h-1.

Steam Pretreatment of Rice Hulls to Release Fermentable Saccharides:An Approach to Improve Recovery of(Hemi)Cellulosic Sugars Through Multivariate Design

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.

An Expert System in FRP Composite Material Design

An expert system prototype for fibre-reinforced plastic matrix (FRP) composite material design, ESFRP, has been developed. The system consists of seven main functional parts: a general inference engine, a set of knowledge bases, a material properties algorithm base, an explanation engine, various data bases, several function models and the user interface. The ESFRP can simulate human experts to make design scheme for fibre-reinforced plastics design, FRP layered plates design and FRP typical engineering components design. It can also predict the material properties and make strength analysis according to the micro and macro mechanics of composite materials. A satisfied result can be gained through the reiterative design.

Calibration of Discrete Element Heat Transfer Parameters by Central Composite Design

The efficiency and precision of parameter calibration in discrete element method （DEM） are not satisfactory, and parameter calibration for granular heat transfer is rarely involved. Accordingly, parameter calibration for granular heat transfer with the DEM is studied. The heat transfer in granular assemblies is simulated with DEM, and the effective thermal conductivity （ETC） of these granular assemblies is measured with the transient method in simulations. The measurement testbed is designed to test the ETC of the granular assemblies under normal pressure and a vacuum based on the steady method. Central composite design （CCD） is used to simulate the impact of the DEM parameters on the ETC of granular assemblies, and the heat transfer parameters are calibrated and compared with experimental data. The results show that, within the scope of the considered parameters, the ETC of the granular assemblies increases with an increasing particle thermal conductivity and decreases with an increasing particle shear modulus and particle diameter. The particle thermal conductivity has the greatest impact on the ETC of granular assemblies followed by the particle shear modulus and then the particle diameter. The calibration results show good agreement with the experimental results. The error is less than 4%, which is within a reasonable range for the scope of the CCD parameters. The proposed research provides high efficiency and high accuracy parameter calibration for granular heat transfer in DEM.

Modeling of biodiesel production: Performance comparison of Box–Behnken, face central composite and full factorial design

The performances of the response surface methodology(RSM)in connection with the Box–Behnken,face central composite or full factorial design(BBD,FCCD or FFD,respectively)were compared for the use in modeling of the NaOH-catalyzed sunflower oil ethanolysis.The influence of temperature,catalyst loading,and ethanol-to-oil molar ratio(EOMR)on fatty acid ethyl esters(FAEE)content was evaluated.All three multivariate strategies were efficient in the statistical modeling and optimization of the influential process variables but BBD and FCCD realization involved less number of experiments,generating smaller costs,requiring less work and consuming shorter time than the corresponding FFD.All three designs resulted in the same optimal catalyst loading(1.25%of oil)and EOMR(12:1).The reduced two-factorinteraction(2 FI)models based on the BBD and FCCD defined a range of optimal reaction temperature(25℃–75℃)and 25℃,respectively while the same model based on the 33 FFD appointed 75℃.The predicted FAEE content of about 97%–98.0%was close to the experimentally obtained FAEE content of about 97.0%–97.6%under the optimal reaction conditions.Therefore,the simpler BBD or FCCD might successfully be applied for statistical modeling of biodiesel production processes instead of the more extensive,more laborious and more expensive FFD.