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Design Guidelines for Composition of Brazing Filler Metals and Evolution Mechanisms of Typical Microstructures 被引量:4
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作者 Long Weimin 《稀有金属材料与工程》 北大核心 2025年第4期837-853,共17页
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
关键词 design of brazing filler metals design guidelines for composition Ag based brazing filler metals eutectic structures evolution
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Composition design of gold-platinum alloy with ultra-low magnetic susceptibility:First-principles and experimental validation
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作者 Wei Wu Yanli Lu +5 位作者 Chenwei Zhai Lian Ouyang Wenqing Yang Rui Hu Yi Liu Quan Fu 《Journal of Materials Science & Technology》 2025年第8期62-71,共10页
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
关键词 Au-Pt alloy Ultra-low magnetic susceptibility composition design First principles HAADF-STEM
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Advances in Crack Formation Mechanisms,Evaluation Models,and Compositional Strategies for Additively Manufactured Nickel-Based Superalloys
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作者 Huabo Wu Jialiao Zhou +4 位作者 Lan Huang Zi Wang Liming Tan Jin Lv Feng Liu 《Computer Modeling in Engineering & Sciences》 2025年第6期2675-2709,共35页
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
关键词 Additive manufacturing nickel-based superalloys CRACKING failure mechanism composition design
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Endowing rapid Na^(+)conduction by architecture design of Na_(3)Zr_(2)Si_(2)PO_(12)in composite electrolytes for ultralong lifespan quasi-solid-state sodium metal batteries
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作者 Kang-Qiang He Xin-Gan Liao +5 位作者 Hao-Jian Lian Xiang Guan Da-Zhu Chen Yi-Kun Su Robert K.Y.Li Chen Liu 《Rare Metals》 2025年第6期3795-3805,共11页
Solid-state sodium batteries offer new opportunities for emerging applications with sensitivity to safety and cost.However,the prevailing composite electrolyte structure,as a core component,is still poorly conductive ... Solid-state sodium batteries offer new opportunities for emerging applications with sensitivity to safety and cost.However,the prevailing composite electrolyte structure,as a core component,is still poorly conductive to Na ions.Herein,a 3D architecture design of Na^(+)conductive Na_(3)Zr_(2)Si_(2)PO_(12)framework is introduced to in situ compound with polymer electrolyte,subtly inducing an anion-enriched interface that acts as rapid ion immigration channel.Multiple continuous and fast Na^(+)transport pathways are built via the amorphization of polymer matrix,the consecutive skeleton,and the induced anion-adsorbed interface,resulting in a high ionic conductivity of4.43×10^(-4)S.cm^(-1).Notably,the design of 3D skeleton not only enables the content of inorganic part exceeds 60wt%without any sign of agglomeration,but also endows the composite electrolyte reach a high transference number of 0.61 by immobilizing the anions.The assembled quasisolid-state cells exhibit high practical safety and can stably work for over 1500 cycles with 83.1%capacity retention.This tactic affords new insights in designing Na^(+)conductive composite electrolytes suffering from slow ion immigration for quasi-solid-state sodium batteries. 展开更多
关键词 composite electrolyte Quasi-solid-state sodium battery Architecture design
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Design of Low-Resistance Composite Electrolytes for Solid-State Batteries Based on Machine Learning
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作者 Yu Xiong Zizhang Lin +3 位作者 Jinxing Li Zijian Li Ao Cheng Xin Zhang 《Acta Mechanica Solida Sinica》 2025年第3期549-557,共9页
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
关键词 Solid-state batteries composite electrolyte design Stack pressure Machine learning Support vector regression
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The Construction and Practice of Integrating Curriculum Ideological and Political Elements into the Blended Teaching of Design Composition Course under the OBE Concept
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作者 Qi Wang Dongdong Wang 《Journal of Contemporary Educational Research》 2024年第12期157-163,共7页
This paper endeavors to explore the integration of curriculum ideological and political elements into the blended teaching of the Design Composition course based on the OBE(outcome-based education)concept.It analyzes ... This paper endeavors to explore the integration of curriculum ideological and political elements into the blended teaching of the Design Composition course based on the OBE(outcome-based education)concept.It analyzes the implementation paths and practical effects,providing a reference for the integration of ideological and political education and professional education in art design education in the new era.By analyzing the core content of the OBE concept in combination with the characteristics of the Design Composition course,we discuss the integration of ideological and political elements into teaching design.Employing methods of case analysis and literature review,and in conjunction with the blended teaching mode,we design a teaching process that conforms to the OBE concept,optimize practical activities and evaluation systems,and enhance students’ideological and moral qualities as well as disciplinary accomplishments.The research reveals that through the integration of ideological and political education in courses based on the OBE concept,it is possible to not only improve students’professional skills but also enhance their sense of social responsibility and cultural confidence. 展开更多
关键词 OBE concept Course ideology and politics design composition Blended learning
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Computer Aided Composition Design of Prehardened-Mould Steel for Plastic 被引量:4
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作者 YanlinHE LinLI +1 位作者 XiaochunWU PatrickWOLLANTS 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2004年第1期71-74,共4页
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
关键词 Prehardened-mould steel for plastic PRECIPITATION computer-aided composition design Thermo-Calc software
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Computer-Aided Design of Some Advanced Steels and Cemented Carbides 被引量:2
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作者 LI Lin ZHANG Mei +2 位作者 HE Yan-lin De Cooman Bruno Wollants Patrick 《Journal of Iron and Steel Research International》 SCIE CAS CSCD 2005年第6期42-48,共7页
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
关键词 computer-aided composition design TRIP steel cemented carbide prehardened mould steel concentration profile THERMODYNAMIC KINETIC equilibrium composition
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The computer-aided design method of cabinet based on style imagery 被引量:2
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作者 沈张帆 薛澄岐 +3 位作者 王海燕 牛亚峰 邵将 张晶 《Journal of Southeast University(English Edition)》 EI CAS 2015年第3期369-374,共6页
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
关键词 CABINET computer-aided design style imagery component recombinant shape features
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Interface Design Strategy for GNS/AZ91 Composites with Semi-Coherent Structure 被引量:1
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作者 Jing-Peng Xiong Yi-Qi Zeng +3 位作者 Jin-Long Liu Wei-Cheng Wang Lan Luo Yong Liu 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2024年第3期467-483,共17页
The interfacial structure plays an important role in the mechanical properties of magnesium matrix composite(MMCs)reinforced with graphene nanosheet(GNS)due to their poor wettability with the Mg matrix.An interface de... The interfacial structure plays an important role in the mechanical properties of magnesium matrix composite(MMCs)reinforced with graphene nanosheet(GNS)due to their poor wettability with the Mg matrix.An interface design strategy was proposed to form the semi-coherent interfacial structure with superior bonding strength.The lattice mismatch and interfacial bonding strength between Mg/rare earth oxide/carbon were utilized as key characteristics to evaluate the interfacial structure.Lanthanum oxide(La2O3)was selected as the intermediate candidate due to its low lattice mismatch and high interfacial bonding strength.To identify the interfacial structure of Mg/La2O3/graphene,first-principles calculations were conducted to calculate the ideal work of separation and electronic structure of the interfaces.Results demonstrated the presence of strong ionic and covalent interactions at the interface,which theoretically verified the strong interfacial bonding strength among Mg/La2O3/graphene interfaces.To experimentally validate the interface strength,MMCs with the interface structure of Mg/La2O3/GNS were developed.The formation of in-situ La2O3 led to the successful attainment of semi-coherent structures between Mg/La2O3 and La2O3/GNS,resulting in high strength and good ductility of the composite.Overall,this work proposes a new approach to interface design in MMCs with an enhancement of mechanical properties. 展开更多
关键词 Interface design strategy Magnesium matrix composite Graphene nanosheets Semi-coherent interface Mechanical properties
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Towards data-efficient mechanical design of bicontinuous composites usinggenerative AI 被引量:1
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作者 Milad Masrouri Zhao Qin 《Theoretical & Applied Mechanics Letters》 CAS CSCD 2024年第1期57-64,共8页
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 numb... 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. 展开更多
关键词 Generative artificial intelligence Stable diffusion composite design Phase field model Molecular dynamics simulation
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VALENCE ELECTRON STRUCTURE OF HIGH PROPERTY HIGH SPEED RESISTANCE STEEL AND ITS COMPOSITION DESIGN 被引量:8
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作者 Z.L. Li1,2) ,C.X.Ma2) and Z.L.Liu1) 1) Department of Materials Science and Engineering,Liaoning Institute of Technology,Jinzhou 121001 ,China 2) Collage of Science, Northeast University ,Shenyang,110006 , China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1999年第4期408-414,共7页
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
关键词 HIGH SPEED impact resistancesteel valenceelectron structure composition design
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Composition optimization and electrochemical characteristics of Co-free Fe-containing AB_5-type hydrogen storage alloys through uniform design 被引量:6
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作者 晁栋梁 陈云贵 +2 位作者 朱昌荣 吴朝玲 朱丁 《Journal of Rare Earths》 SCIE EI CAS CSCD 2012年第4期361-366,共6页
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
关键词 hydrogen storage alloy CO-FREE Fe-containing composition optimization electrochemical characteristics uniform design rare earths
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Composition Optimization and Microstructure Design in MOFs-Derived Magnetic Carbon-Based Microwave Absorbers:A Review 被引量:14
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作者 Honghong Zhao Fengyuan Wang +3 位作者 Liru Cui Xianzhu Xu Xijiang Han Yunchen Du 《Nano-Micro Letters》 SCIE EI CAS CSCD 2021年第12期383-415,共33页
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
关键词 Magnetic carbon-based composites Metal–organic frameworks composition optimization Microstructure design EM absorption enhancement
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Thermodynamic Analyse on Equilibrium Precipitation Phases and Composition Design of Al-Zn-Mg-Cu Alloys 被引量:6
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作者 于晶晶 李晓梅 余新泉 《Journal of Shanghai Jiaotong university(Science)》 EI 2012年第3期286-290,共5页
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
关键词 Al-Zn-Mg-Cu alloys thermodynamic calculation composition design
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Application of computer-aided engineering optimum design method in aluminum profile extrusion mould 被引量:8
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作者 帅词俊 肖刚 +1 位作者 倪正顺 钟掘 《Journal of Central South University of Technology》 2003年第1期64-68,共5页
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
关键词 EXTRUSION MOULD computer-aided ENGINEERING OPTIMUM design ANSYS
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Integrated computer-aided formulation design:A case study of andrographolide/cyclodextrin ternary formulation 被引量:4
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作者 Haoshi Gao Yan Su +6 位作者 Wei Wang Wei Xiong Xiyang Sun Yuanhui Ji Hua Yu Haifeng Li Defang Ouyang 《Asian Journal of Pharmaceutical Sciences》 SCIE CAS 2021年第4期494-507,共14页
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
关键词 Integrated computer-aided formulation design Machine learning Molecular dynamic simulation Physiologically based absorption modeling ANDROGRAPHOLIDE Cyclodextrins
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Optimization of Culture Conditions and Medium Composition for the Marine Algicidal Bacterium Alteromonas sp. DH46 by Uniform Design 被引量:4
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作者 LIN Jing ZHENG Wei +2 位作者 TIAN Yun WANG Guizhong ZHENG Tianling 《Journal of Ocean University of China》 SCIE CAS 2013年第3期385-391,共7页
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
关键词 algicidal bacteria OPTIMIZATION culture conditions medium composition uniform design
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PHASE STRUCTURE FACTOR AND INTERFACE CONJUNCTION FACTOR OF CAST IRON AND ITS COMPOSITION DESIGN 被引量:3
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作者 Z.L.Li,Z.L.Liu ,F.Y.Li,X.P.Yang and Z.G.Gu Departmentof Materials Science and Engineering ,Liaoning Institute of Technology,Jinzhou 121001 ,China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1999年第4期401-407,共7页
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
关键词 phasestructure factor interface conjunction factor ductile iron wear resistance composition design
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Composite armor philosophy(CAP):Holistic design methodology of multi-layered composite protection systems for armored vehicles
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作者 Evangelos Ch.Tsirogiannis Foivos Psarommatis +1 位作者 Alexandros Prospathopoulos Georgios Savaidis 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2024年第11期181-197,共17页
A philosophy for the design of novel,lightweight,multi-layered armor,referred to as Composite Armor Philosophy(CAP),which can adapt to the passive protection of light-,medium-,and heavy-armored vehicles,is presented i... A philosophy for the design of novel,lightweight,multi-layered armor,referred to as Composite Armor Philosophy(CAP),which can adapt to the passive protection of light-,medium-,and heavy-armored vehicles,is presented in this study.CAP can serve as a guiding principle to assist designers in comprehending the distinct roles fulfilled by each component.The CAP proposal comprises four functional layers,organized in a suggested hierarchy of materials.Particularly notable is the inclusion of a ceramic-composite principle,representing an advanced and innovative solution in the field of armor design.This paper showcases real-world defense industry applications,offering case studies that demonstrate the effectiveness of this advanced approach.CAP represents a significant milestone in the history of passive protection,marking an evolutionary leap in the field.This philosophical approach provides designers with a powerful toolset with which to enhance the protection capabilities of military vehicles,making them more resilient and better equipped to meet the challenges of modern warfare. 展开更多
关键词 Passive armor protection composite armor Ballistic performance Protection systems Vehicle protection Armor design
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