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
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
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
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
Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle...Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies.展开更多
Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsin high speed impact resista...Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsin high speed impact resistance ( HSIR) steel. According tothese va lenceelectron structure parametersitis deduced thatthe alloying elements of high propertyHSIRsteelshould be Mn, Cr, Ni and Mo. The microscopicstructure ofthesteel with this compositionisthe mixtureof martensite, bainiteand austeniteafter quenching andlow tem peraturetempering.Itspropertiesare:σb = 1750 MPa,σ0 2 = 1460 MPa,δ5 = 12 7 % , AKV(at 40 ℃, cross direction) = 21J, which exceed the requirement of design. For the thick plateof high property HSIRsteel,itissuggestedto add alittleamountof Cu on thebasisofabovecomposition .展开更多
In order to reduce the cost of ABs-type hydrogen storage alloys, effects of substitution of Ce for La （A side） and Fe, Mn, Al for Ni （B side） on structural and electrochemical properties of （LaCe）;（NiFeMnAl）s ...In order to reduce the cost of ABs-type hydrogen storage alloys, effects of substitution of Ce for La （A side） and Fe, Mn, Al for Ni （B side） on structural and electrochemical properties of （LaCe）;（NiFeMnAl）s alloys were studied systematically. To make component uniform and operation easy, uniform design （UD） method was introduced into the study of composition optimization of Co-free Fe-containing ABs-type alloys for the first time. X-ray diffraction （XRD） results showed that the designed alloys were of single CaCus-type structure phase. The replacement of Fe had a severe effect on electrochemical capacity, and the substitution of Fe and A1 had a synergetic action among the unit cell volume, cycling stability and high rate discharge property. Interestingly, it was found that the hydrogen storage alloys with excessively high plateau pressure showed a tilted line in Nyquist plot instead of the semicircle, and the current decayed rapidly to near zero at the beginning of the step in constant potential step （CPS）, indicating that electrochemical impedance spectra （EIS） and CPS cannot accurately measure the electrochemical kinetics process of the hydrogen storage alloys with excessively high plateau pressure.展开更多
Magnetic carbon-based composites are the most attractive candidates for electromagnetic(EM)absorption because they can terminate the propagation of surplus EM waves in space by interacting with both electric and magne...Magnetic carbon-based composites are the most attractive candidates for electromagnetic(EM)absorption because they can terminate the propagation of surplus EM waves in space by interacting with both electric and magnetic branches.Metal-organic frameworks(MOFs)have demonstrated their great potential as sacrificing precursors of magnetic metals/carbon composites,because they provide a good platform to achieve high dispersion of magnetic nanoparticles in carbon matrix.Nevertheless,the chemical composition and microstructure of these composites are always highly dependent on their precursors and cannot promise an optimal EM state favorable for EM absorption,which more or less discount the superiority of MOFs-derived strategy.It is hence of great importance to develop some accompanied methods that can regulate EM properties of MOFs-derived magnetic carbon-based composites e ectively.This review comprehensively introduces recent advancements on EM absorption enhancement in MOFs-derived magnetic carbon-based composites and some available strategies therein.In addition,some challenges and prospects are also proposed to indicate the pending issues on performance breakthrough and mechanism exploration in the related field.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 finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtaine...The finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces.展开更多
Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate vario...Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design.展开更多
Harmful algal blooms(HABs) have led to extensive ecological and environmental issues and huge economic losses.Various HAB control techniques have been developed,and biological methods have been paid more attention.Alg...Harmful algal blooms(HABs) have led to extensive ecological and environmental issues and huge economic losses.Various HAB control techniques have been developed,and biological methods have been paid more attention.Algicidal bacteria is a general designation for bacteria which inhibit algal growth in a direct or indirect manner,and kill or damage the algal cells.A metabolite which is strongly toxic to the dinoflagellate Alexandrium tamarense was produced by strain DH46 of the alga-lysing bacterium Alteromonas sp.The culture conditions were optimized using a single-factor test method.Factors including carbon source,nitrogen source,temperature,initial pH value,rotational speed and salinity were studied.The results showed that the cultivation of the bacteria at 28℃ and 180 r min-1with initial pH 7 and 30 salt contcentration favored both the cell growth and the lysing effect of strain DH46.The optimal medium composition for strain DH46 was determined by means of uniform design experimentation,and the most important components influencing the cell density were tryptone,yeast extract,soluble starch,NaNO3 and MgSO4.When the following culture medium was used(tryptone 14.0g,yeast extract 1.63g,soluble starch 5.0 g,NaNO3 1.6 g,MgSO4 2.3 g in 1L),the largest bacterial dry weight(7.36 g L-1) was obtained,which was an enhancement of 107% compared to the initial medium;and the algal lysis rate was as high as 98.4% which increased nearly 10% after optimization.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
Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced...Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity （TRIP） steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure.展开更多
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 prac...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.展开更多
The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the...The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the mould design process, in addition to the material and geometry of the part. A framed-mould computer-aided design system （FMCAD） used in the autoclave moulding process is proposed in this paper. A function model of the software is presented, in which influence factors such as part structure, mould structure, and process parameters are considered; a design model of the software is established using object oriented （O-O） technology to integrate the stiffness calculation, temperature field calculation, and deformation field calculation of mould in the design, and in the design model, a hybrid model of mould based on calculation feature and form feature is presented to support those calculations. A prototype system is developed, in which a mould design process wizard is built to integrate the input information, calculation, analysis, data storage, display, and design results of mould design. Finally, three design examples are used to verify the prototype.展开更多
Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage dis...Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage display method(in vitro)or by transgenic mice(in vivo);other methods include B lymphocyte immortalization,human–human hybridoma,and single-cell polymerase chain reaction.Here,we describe a structure-based computer-aided de novo design technology for human antibody generation.Based on the complex structure of human epidermal growth factor receptor 2(HER2)/Herceptin,we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin.Next,these peptides were set as complementarity determining regions in a suitable immunoglobulin frame,giving birth to a novel anti-HER2 antibody named "HF,"which possessed higher affinity and more effective anti-tumor activity than Herceptin.Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases,such as cancer and infectious diseases.展开更多
Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to...Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property, which is an optimization problem. In this paper, a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular, a convex lower bounding function is constructed for the objective function formulated with BP-NN model, and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method.展开更多
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 containe...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: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
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.
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.
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The National Natural Science Foundation of China(No.71271053)the Scientific Innovation Research of College Graduates in Jiangsu Province(No.CXLX13_082)
文摘Due to the practical problems of the high costs and the long development cycle of China’s cabinet production,a computer-aided design method of the cabinet based on style imagery is proposed.According to the principle of the conjoint analysis method, the rough set theory and the weight coefficient of different components of the cabinet,a multi-dimensional model of style imagery to evaluate the cabinet is built. Then the related constants of style imagery are calculated and the cabinet components library is also built by the three-dimensional modeling.Finally,with recombinant technology and the mapping model between cabinet style and external characteristics,the prototype system based on Visual Studio is proposed.This system actualizes the bidirectional reasoning between product style imagery and the shape features,which can assist designers to produce more creative designs,greatly improve the efficiency of cabinet development and increase the profits of companies.
文摘Theempiricalelectrontheory of solidsand molecules( EET) and theimproved TFDtheory wereapplied tocalculatethe phasestructurefactorsand interfaceconjunction factorsofcom mon alloying elementsin high speed impact resistance ( HSIR) steel. According tothese va lenceelectron structure parametersitis deduced thatthe alloying elements of high propertyHSIRsteelshould be Mn, Cr, Ni and Mo. The microscopicstructure ofthesteel with this compositionisthe mixtureof martensite, bainiteand austeniteafter quenching andlow tem peraturetempering.Itspropertiesare:σb = 1750 MPa,σ0 2 = 1460 MPa,δ5 = 12 7 % , AKV(at 40 ℃, cross direction) = 21J, which exceed the requirement of design. For the thick plateof high property HSIRsteel,itissuggestedto add alittleamountof Cu on thebasisofabovecomposition .
基金Project supported by the Guangdong-Ministry of Education (GD-MOE) Coordination Project of Industry Academic and Research (2008B090500274)Chengdu Key Technologies R&D Program (10GGYB897GX-023)
文摘In order to reduce the cost of ABs-type hydrogen storage alloys, effects of substitution of Ce for La （A side） and Fe, Mn, Al for Ni （B side） on structural and electrochemical properties of （LaCe）;（NiFeMnAl）s alloys were studied systematically. To make component uniform and operation easy, uniform design （UD） method was introduced into the study of composition optimization of Co-free Fe-containing ABs-type alloys for the first time. X-ray diffraction （XRD） results showed that the designed alloys were of single CaCus-type structure phase. The replacement of Fe had a severe effect on electrochemical capacity, and the substitution of Fe and A1 had a synergetic action among the unit cell volume, cycling stability and high rate discharge property. Interestingly, it was found that the hydrogen storage alloys with excessively high plateau pressure showed a tilted line in Nyquist plot instead of the semicircle, and the current decayed rapidly to near zero at the beginning of the step in constant potential step （CPS）, indicating that electrochemical impedance spectra （EIS） and CPS cannot accurately measure the electrochemical kinetics process of the hydrogen storage alloys with excessively high plateau pressure.
基金supported by the financial support from Natural Science Foundation of China(21776053 and 21676065)。
文摘Magnetic carbon-based composites are the most attractive candidates for electromagnetic(EM)absorption because they can terminate the propagation of surplus EM waves in space by interacting with both electric and magnetic branches.Metal-organic frameworks(MOFs)have demonstrated their great potential as sacrificing precursors of magnetic metals/carbon composites,because they provide a good platform to achieve high dispersion of magnetic nanoparticles in carbon matrix.Nevertheless,the chemical composition and microstructure of these composites are always highly dependent on their precursors and cannot promise an optimal EM state favorable for EM absorption,which more or less discount the superiority of MOFs-derived strategy.It is hence of great importance to develop some accompanied methods that can regulate EM properties of MOFs-derived magnetic carbon-based composites e ectively.This review comprehensively introduces recent advancements on EM absorption enhancement in MOFs-derived magnetic carbon-based composites and some available strategies therein.In addition,some challenges and prospects are also proposed to indicate the pending issues on performance breakthrough and mechanism exploration in the related field.
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 finite element analysis and the optimum design of aluminum profile extrusion mould were investigated using the ANSYS software and its parameterized modeling method. The optimum dimensions of the mould were obtained. It is found that the stress distribution is very uneven, and the stress convergence is rather severe in the bridge of the aluminum profile extrusion mould. The optimum height of the mould is 70.527 mm, and the optimum radius of dividing holes are 70.182 mm and 80.663 mm. Increasing the height of the mould in the range of 61.282 mm to 70.422 mm can prolong its longevity, but when the height is over 70.422 mm, its longevity reduces.
基金financially supported by the FDCT Project 0029/2018/A1the University of Macao Research Grants(MYRG2019-00041-ICMS)performed in part at the High-Performance Computing Cluster(HPCC)which is supported by Information and Communication Technology Office(ICTO)of the University of Macao。
文摘Current formulation development strongly relies on trial-and-error experiments in the laboratory by pharmaceutical scientists,which is time-consuming,high cost and waste materials.This research aims to integrate various computational tools,including machine learning,molecular dynamic simulation and physiologically based absorption modeling(PBAM),to enhance andrographolide(AG)/cyclodextrins(CDs)formulation design.The light GBM prediction model we built before was utilized to predict AG/CDs inclusion's binding free energy.AG/γ-CD inclusion complexes showed the strongest binding affinity,which was experimentally validated by the phase solubility study.The molecular dynamic simulation was used to investigate the inclusion mechanism between AG andγ-CD,which was experimentally characterized by DSC,FTIR and NMR techniques.PBAM was applied to simulate the in vivo behavior of the formulations,which were validated by cell and animal experiments.Cell experiments revealed that the presence of D-α-Tocopherol polyethylene glycol succinate(TPGS)significantly increased the intracellular uptake of AG in MDCKMDR1 cells and the absorptive transport of AG in MDCK-MDR1 monolayers.The relative bioavailability of the AG-CD-TPGS ternary system in rats was increased to 2.6-fold and 1.59-fold compared with crude AG and commercial dropping pills,respectively.In conclusion,this is the first time to integrate various computational tools to develop a new AG-CD-TPGS ternary formulation with significant improvement of aqueous solubility,dissolution rate and bioavailability.The integrated computational tool is a novel and robust methodology to facilitate pharmaceutical formulation design.
基金financially supported by the National Natural Science Foundation(40930847,31070442)the Natural Science Foundation of Fujian Province(2012J01150)Public science and technology research funds projects of ocean(201305016,201305041,201305022) and MELRI1003
文摘Harmful algal blooms(HABs) have led to extensive ecological and environmental issues and huge economic losses.Various HAB control techniques have been developed,and biological methods have been paid more attention.Algicidal bacteria is a general designation for bacteria which inhibit algal growth in a direct or indirect manner,and kill or damage the algal cells.A metabolite which is strongly toxic to the dinoflagellate Alexandrium tamarense was produced by strain DH46 of the alga-lysing bacterium Alteromonas sp.The culture conditions were optimized using a single-factor test method.Factors including carbon source,nitrogen source,temperature,initial pH value,rotational speed and salinity were studied.The results showed that the cultivation of the bacteria at 28℃ and 180 r min-1with initial pH 7 and 30 salt contcentration favored both the cell growth and the lysing effect of strain DH46.The optimal medium composition for strain DH46 was determined by means of uniform design experimentation,and the most important components influencing the cell density were tryptone,yeast extract,soluble starch,NaNO3 and MgSO4.When the following culture medium was used(tryptone 14.0g,yeast extract 1.63g,soluble starch 5.0 g,NaNO3 1.6 g,MgSO4 2.3 g in 1L),the largest bacterial dry weight(7.36 g L-1) was obtained,which was an enhancement of 107% compared to the initial medium;and the algal lysis rate was as high as 98.4% which increased nearly 10% after optimization.
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.
基金The study was financially supported by the key project of Science and Technology Commission of Shanghai Local Gov-ernment (No. 015211010), the National Natural Science Foundation of China (No. 50171038) and the China-Belgium bi-lateral project (No. 2001-242).
文摘Suitable optimization and simulation were performed using a powerful software package with a mature database as well as modem measurement facilities, which led to the successful designing and manufacturing of advanced steels. In the course of designing, the composition of a large section of prehardened mold steel for plastics was estimated so as to lower the quantities of oxide inclusions to change the type of carbides and to raise the machinability. The composition and process were adjusted to obtain satisfactory surface quality for the prevailing galvanization in transformation-induced plasticity （TRIP） steel. The refuting process of low-carbon steel was simulated in the light of both Thermo-Calc and Factsage. Thermodynamic and kinetic analyses were always conducted during the test and the procedure.
基金the Science and Technology Foundation of Retuned Students Studying Abroad of Shanxi Province of China(No. 1995-26)
文摘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.
文摘The general computer-aided design （CAD） software cannot meet the mould design requirement of the autoclave process for composites, because many parameters such as temperature and pressure should be considered in the mould design process, in addition to the material and geometry of the part. A framed-mould computer-aided design system （FMCAD） used in the autoclave moulding process is proposed in this paper. A function model of the software is presented, in which influence factors such as part structure, mould structure, and process parameters are considered; a design model of the software is established using object oriented （O-O） technology to integrate the stiffness calculation, temperature field calculation, and deformation field calculation of mould in the design, and in the design model, a hybrid model of mould based on calculation feature and form feature is presented to support those calculations. A prototype system is developed, in which a mould design process wizard is built to integrate the input information, calculation, analysis, data storage, display, and design results of mould design. Finally, three design examples are used to verify the prototype.
基金This work was supported by grants from the National Sciences Fund(31370938 and 81272528)The Fund(81272528)offered experiment material and collected the data for analysisThe Fund(31370938)helped design the study and was helpful in preparing the manuscript.
文摘Fully human antibodies have minimal immunogenicity and safety profiles.At present,most potential antibody drugs in clinical trials are humanized or fully human.Human antibodies are mostly generated using the phage display method(in vitro)or by transgenic mice(in vivo);other methods include B lymphocyte immortalization,human–human hybridoma,and single-cell polymerase chain reaction.Here,we describe a structure-based computer-aided de novo design technology for human antibody generation.Based on the complex structure of human epidermal growth factor receptor 2(HER2)/Herceptin,we first designed six short peptides targeting the potential epitope of HER2 recognized by Herceptin.Next,these peptides were set as complementarity determining regions in a suitable immunoglobulin frame,giving birth to a novel anti-HER2 antibody named "HF,"which possessed higher affinity and more effective anti-tumor activity than Herceptin.Our work offers a useful tool for the quick design and selection of novel human antibodies for basic mechanical research as well as for imaging and clinical applications in immune-related diseases,such as cancer and infectious diseases.
文摘Because of the powerful mapping ability, back propagation neural network (BP-NN) has been employed in computer-aided product design (CAPD) to establish the property prediction model. The backward problem in CAPD is to search for the appropriate structure or composition of the product with desired property, which is an optimization problem. In this paper, a global optimization method of using the a BB algorithm to solve the backward problem is presented. In particular, a convex lower bounding function is constructed for the objective function formulated with BP-NN model, and the calculation of the key parameter a is implemented by recurring to the interval Hessian matrix of the objective function. Two case studies involving the design of dopamine β-hydroxylase (DβH) inhibitors and linear low density polyethylene (LLDPE) nano composites are investigated using the proposed method.
文摘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:
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.
