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Divide and conquer: Machine learning accelerated design of lead-free solder alloys with high strength and high ductility

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npj Computational Materials 2023年第1期9卷 275-284页

作者： Qinghua Wei Bin Cao Hao Yuan Youyang Chen Kangdong You Shuting Yu Tixin Yang Ziqiang Dong Tong-Yi Zhang Materials Genome Institute Shanghai UniversityShanghai 200444China Advanced Materials Thrust Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400 GuangdongChina Guangzhou Municipal Key Laboratory of Materials Informatics Guangzhou 511400 GuangdongChina

The attainment of both high strength and high ductility is always the goal for structure materials,because the two properties generally are mutually competing,called strength-ductility trade-off.Nowadays,the data-driven paradigm combined with expert domain knowledge provides the state-of-the-art methodology to design and discovery for structure materials with high strength and high ductility.To enhance both strength and ductility,a joint feature is proposed here to be the product of strength multiplying ductility.The strategy of“divide and conquer”is developed to solve the contradictory problem,that material experimental data of mechanical behaviors are,in general,small in size and big in noise,while the design space is huge,by a newly developed data preprocessing algorithm,named the Tree-Classifier for Gaussian Process Regression(TCGPR).The TCGPR effectively divides an original dataset in a huge design space into three appropriate sub-domains and then three Machine Learning(ML)models conquer the three sub-domains,achieving significantly improved prediction accuracy and generality.After that the Bayesian sampling is applied to design next experiments by balancing exploitation and exploration.Finally,the experiment results confirm the ML predictions,exhibiting novel lead-free solder alloys with high strength high ductility.Various material characterizations were also conducted to explore the mechanism of high strength and high ductility of the alloys.

关键词： ductility strength solder

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First-principles Study on the ductility Effect of Zirconium and Its Distinct Behavior from Boron to Restrain Hydrogen-induced Embrittlement in Ni-Ni3Al Alloys

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Journal of Materials Science & Technology 2008年第2期24卷 165-171页

作者： Yuxi WU Yuanming WANG Shenyang National Laboratory for Materials Science Institute of Metal Research Chinese Academy of Sciences Shenyang 110016 China Anhui University of Technology Graduate School of AHUT Maanshan 243002 China

By studying a cluster model containing Ni region （phase）, NiaAI region （phase） and Ni/Ni3Al region （interface） with a first-principles method, the occupation behavior and the ductility effect of zirconium in a Ni-Ni3Al system were investigated. It is found that zirconium has a stronger segregation tendency to Ni region than to Ni3Al region. The bond order analyses based on Rice-Wang model and the maximum theoretical shear stress model, however, show that zirconium has different degrees of ductility effect in these three regions, which originates from its different ability to increase the Griffith work of interracial cleavage 2γint and to decrease the maximum theoretical shear stress τmax. In addition, it is revealed in this paper that the distinct behavior of zirconium from boron to restrain hydrogen-induced embrittlement can be attributed to their different influences on the crystalline and electronic structures in Ni-Ni3Al alloys.

关键词： Interface Occupation behavior Embrittlement ductility

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Achieving metal-like malleability and ductility in Ag_(2)Te_(1-x)S_(x)inorganic thermoelectric semiconductors with high mobility

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The Innovation 2022年第6期3卷 145-151页

作者： Huiping Hu Yuechu Wang Chenguang Fu Xinbing Zhao Tiejun Zhu State Key Laboratory of Silicon Materials and School of Materials Science and EngineeringZhejiang UniversityHangzhou 310027China

Inorganic semiconductor Ag_(2)Te_(1-x)S_(x)has been recently found to exhibit unexpected plastic deformation with compressive strain up to 30%.However,the origin of the abnormal plasticity and how to simultaneously achieve superb ductility and high mobility are still elusive.Here,we demonstrate that crystalline/amorphous Ag_(2)Te_(1-x)S_(x)(x=0.3,0.4,and 0.5)composites can exhibit excellent compressive strain up to 70%if the monoclinic Ag2Te phase,which commonly exists in the matrix,is eliminated.Significantly,an ultra-high tensile elongation reaching 107.3%was found in Ag_(2)TeAg_(2)Te_(0.7)S_(x)S_(0.3),which is the highest one yet reported in the system and even surpasses those achieved in some metals and high-entropy alloys.Moreover,high mobility of above 1000 cm^(2)VAg^(-1)s^(-1) at room temperature and good thermoelectric performance are simultaneously maintained.A modified Ashby plot with ductility factor versus carrier mobility is thereby proposed to highlight the potential of solid materials for applications in flexible/wearable electronics.

关键词： ductility deformation high

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A High-ductility Mg–Zn–Ca Magnesium Alloy

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Acta Metallurgica Sinica(English Letters) 2019年第1期32卷 23-30页

作者： Teng Tu Xian-Hua Chen Jiao Chen Chao-Yue Zhao Fu-Sheng Pan College of Materials Science and Engineering Chongqing University National Engineering Research Center for Magnesium Alloys Chongqing University Chongqing Academy of Science and Technology

A new kind of Mg–2 Zn–0.6 Ca(wt%) alloy was fabricated by casting and hot extrusion as a high-ductility structural material. The extruded alloy exhibits a superior elongation of ～30%, yield strength of 130 MPa and ultimate tensile strength of 280 MPa along the extrusion direction at room temperature. Microstructure, texture and tensile properties of the extruded alloy were investigated in details. The remarkable improvement of ductility is ascribed to the weakened basal texture, refined grains and a small number of second phase in the alloy.

关键词： Magnesium alloy Mg–Zn–Ca High ductility Extrusion Texture

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ductility and Ultimate Capacity of Concrete-Filled Lattice Rectangular Steel Tube Columns

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Structural Durability & Health Monitoring 2018年第2期12卷 99-110页

作者： Chengquan Wang Yun Zou Tianqi Li Jie Ding Xiaoping Feng Tiange Lei Jiangnan University No.1800Wuxi214000China

A kind of concrete-filled lattice rectangular steel tube(CFLRST)column was put forward.The numerical simulation was modeled to analyze the mechanical characteristic of CFLRST column.By comparing the load-deformation curves from the test results,the rationality and reliability of the finite element model has been confirmed,moreover,the change of the section stiffness and stress in the forcing process and the ultimate bearing capacity of the column were analyzed.Based on the model,the comparison of ultimate bearing capacity and ductility between CFLRST column and reinforced concrete(RC)column were also analyzed.The results of the finite element analysis show that the loading process of CFLRST column consists of elastic stage,yield stage and failure stage.The failure modes are mainly strength failure and failure of elastoplastic instability.CFLRST column has higher bearing capacities in comparison with reinforced concrete columns with the same steel ratio.In addition,the stiffness degeneration of CFLRST column is slower than RC column and CFLRST column has good ductility.

关键词： Steel-concrete composite structure concrete-filled lattice rectangular steel tube column nonlinear finite element ultimate strength ductility

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International Journal of Minerals,Metallurgy and Materials 2019年第11期26卷 1450-1456页

作者： Ying Yan Guo-qiang Zhang Li-jia Chen Xiao-wu Li Department of Materials Physics and Chemistry School of Materials Science and Engineeringand Key Laboratory for Anisotropy and Texture of MaterialsMinistry of EducationNortheastern UniversityShenyang 110819China School of Materials Science and Engineering Shenyang University of TechnologyShenyang 110870China

To explore the specimen size effect of mechanical behavior of ultrafine-grained(UFG)materials with different structures,UFG Al sheets processed by equal channel angular pressing(ECAP)were selected as target materials and the dependency of tensile behavior on sheet thickness(t)was systematically investigated.The strength and ductility of ECAPed UFG Al sheets were improved synchronously as t increased from 0.2 to 0.7 mm,and then no apparent change occurred when t reached to 0.7 and 1.0 mm.The corresponding microstructure evolved from dislocation networks in equiaxed grains into the walls and subgrains and finally into the dominated cells in elongated grains or subgrains.Meanwhile,dense shear lines(SLs)and shear bands(SBs)were clearly observed and microvoids and cracks were initiated along SBs with the increase of t.These observations indicated that the plastic deformation of UFG Al sheets was jointly controlled by shear banding,dislocation sliding,and grain-boundary sliding.Furthermore,the propagation of SBs became difficult as t increased.Finally,the obtained results were discussed and compared with those of annealed UFG Al and UFG Cu.

关键词： ultrafine-grained pure Al specimen size effect strength ductility

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First-Principles Study of the Influence of Lattice Misfit on the Behavior and the ductility Effect of Hafnium in Ni-Ni3AI System

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Acta Metallurgica Sinica(English Letters) 2014年第1期27卷 87-94页

作者： Y. Wu J. Guo W. Zhang X. Ma Q. Zhang J. Hou R. Huang X. Liu Institute of Molecular Engineering and Applied Chemistry Anhui University of Technology Ma'anshan 243002 China Shenyang National Laboratory for Materials Science Instituteof Metal Research Chinese Academy of SciencesShenyang 110016 China College of Physics Science and Technology Shenyang NormalUniversity Huanghe Street 253 Shengyang 110034 China School of Materials Science and Engineering Anhui Universityof Technology Ma'anshan 243002 China

Two Ni/Ni3Al-interface-contained cluster models with/without lattice misfit are studied by first-principles method to clarify the debates about the segregation behaviors of Hafnium （Hf） and explore the influence of lattice misfit on the ductility effect of Hr. It is found that though Hf prefers to substitute A1 rather than Ni in Ni3A1 phase within most of the investigated misfit range, its stronger preferring to Ni phase than NiaA1 phase makes it impossible to go into Ni3A1 phase to occupy A1 site in Ni-Ni3A1 alloys. Bond order analysis in Hf-free case shows that lattice misfit has different effects on the Griffith work of interfacial cleavage 27int/E and the maximum theoretical shear stress Zmax of Ni and Ni3A1, contributing to the existence of anomalous strength-temperature phenomena in NiaA1 alloys. However, the addition of Hf will make the 27int/E （or Zmax） of both Ni3A1 and Ni decrease （or increase） with lattice misfit, indicating that the addition of Hf may make the anomalous strength-temperature relationship in Ni3A1 region disappear locally.

关键词： Hafnium Lattice misfit Segregation ductility

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Innovative hybrid reinforcement constituting conventional longitudinal steel and FRP stirrups for improved seismic strength and ductility of RC structures

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Frontiers of Structural and Civil Engineering 2016年第1期10卷 44-62页

作者： Mostafa FAKHARIFAR Ahmad DALVAND Mohammad K. SHARBATDAI~ Genda CHEN Lesley SNEED Department of Civil Architectural and Environmental Engineering Missouri University of Science and Technology 209 PineBuilding 1304 N. Pine Street Rolla MO 65409 USA 'Department of Engineering Lorestan University Khorramabad Iran Department of Civil Engineering Semnan University Semnan Iran

The use of fiber reinforced polymer （FRP） reinforcement is becoming increasingly attractive in construction of new structures. However, the inherent linear elastic behavior of FRP materials up to rupture is considered as a major drawback under seismic attacks when significant material inelasticity is required to dissipate the input energy through hysteretic cycles. Besides, cost considerations, including FRP material and construction of pre-fabricated FRP configurations, especially for stirrups, and probable damage to epoxy coated fibers when transported to the field are noticeable issues. The current research has proposed a novel economical hybrid reinforcement scheme for the next generation of infrastructures implementing on-site fabricated FRP stirrups comprised of FRP sheets. The hybrid reinforcement consists of conventional longitudinal steel reinforcement and FRP stirrups. The key feature of the proposed hybrid reinforcement is the enhanced strength and ductility owing to the considerable confining pressure provided by the FRP stirrups to the longitudinal steel reinforcement and core concrete. Reinforced concrete beam specimens and beam- column joint specimens were tested implementing the proposed hybrid reinforcement. The proposed hybrid reinforcement, when compared with conventional steel stirrups, is found to have higher strength, stiffness, and energy dissipation. Design methods, structural behavior, and applicability of the proposed hybrid reinforcement are discussed in detail in this paper.

关键词： FRP ductility confinement seismic shear

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Enhanced tensile ductility of tungsten microwires via high-density dislocations and reduced grain boundaries

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Journal of Materials Science & Technology 2021年第36期95卷 193-202页

作者： Chaoqun Dang Weitong Lin Fanling Meng Hongti Zhang Sufeng Fan Xiaocui Li Ke Cao Haokun Yang Wenzhao Zhou Zhengjie Fan Ji-jung Kai Yang Lu Department of Mechanical Engineering City University of Hong KongHong KongChina Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhenChina School of Physical Science and Technology ShanghaiTech UniversityShanghaiChina Nano-Manufacturing Laboratory(NML) Shenzhen Research InstituteCity University of Hong KongShenzhenChina State Key Laboratory for Manufacturing Systems Engineering Xi'an Jiaotong UniversityXi'anChina Centre for Advanced Nuclear Safety and Sustainable Development City University of Hong KongHong KongChina

Despite being strong with many outstanding physical properties,tungsten is inherently brittle at room temperature,restricting its structural and functional applications at small scales.Here,a facile strategy has been adopted,to introduce high-density dislocations while reducing grain boundaries,through electron backscatter diffraction(EBSD)-guided microfabrication of cold-drawn bulk tungsten wires.The designed tungsten microwire attains an ultralarge uniform tensile elongation of~10.6%,while retains a high yield strength of~2.4 GPa.in situ TEM tensile testing reveals that the large uniform elongation of tungsten microwires originates from the motion of pre-existing high-density dislocations,while the subsequent ductile fracture is attributed to crack-tip plasticity and the inhibition of grain boundary cracking.This work demonstrates the application potential of tungsten microcomponents with superior ductility and workability for micro/nanoscale mechanical,electronic,and energy systems.

关键词： Tungsten Dislocation Grain boundary ductility In situ TEM Nanomechanics

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The First-principles Study on the Occupation Behavior and the ductility Mechanism of Zr in Ni-Ni_3Al System with Lattice Misfit

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Journal of Materials Science & Technology 2014年第5期30卷 517-522页

作者： Yuxi Wu Wanglin Zhang Jia Guo Jieshan Hou Xiuyan Li Renzhong Huang Xiufang Ma Qianfeng Zhang Institute of Molecular Engineering and Applied Chemistry Anhui University of Technology Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of Sciences College of Physics Science and Technology Shenyang Normal University

The influence of lattice misfit on the occupation behavior and the ductility effect of Zr in Ni-Ni3Al alloys were explored. It is found in energy analysis that the preferable site of Zr between Ni sublattice and Al sublattice will change under different lattice misfit, however, the Zr prefers to segregate Ni phase rather than Ni3Al phase in all lattice misfit range, which makes it impossible for Zr to go into Ni3Al phase to occupy Al sublattice in Ni-Ni3Al system. Bond order （BO） analysis shows that the localized ductility effect of Zr differs in different region, and the comparison between Zr-free and Zr-doped BO analysis successfully explain the mechanism of the embrittlement of Ni-Ni3Al alloys and the ductility effect of Zr.

关键词： Zirconium Lattice misfit Occupation behavior ductility Embrittlement

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