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| 1 | Additive manufacturing of metals:Microstructure evolution and multistage control显示文摘As a revolutionary industrial technology,additive manufacturing creates objects by adding materials layer by layer and hence can fabricate customized components with an unprecedented degree of freedom.For metallic materials,unique hierarchical microstructures are constructed during additive manufacturing,which endow them with numerous excellent properties.To take full advantage of additive manufacturing,an in-depth understanding of the microstructure evolution mechanism is required.To this end,this review explores the fundamental procedures of additive manufacturing,that is,the formation and binding of melt pools.A comprehensive processing map is proposed that integrates melt pool energy-and geometry-related process parameters together.Based on it,additively manufactured microstructures are developed during and after the solidification of constituent melt pool.The solidification structures are composed of primary columnar grains and fine secondary phases that form along the grain boundaries.The post-solidification structures include submicron scale dislocation cells stemming from internal residual stress and nanoscale precipitates induced by intrinsic heat treatment during cyclic heating of adjacent melt pool.Based on solidification and dislocation theories,the formation mechanisms of the multistage microstructures are thoroughly analyzed,and accordingly,multistage control methods are proposed.In addition,the underlying atomic scale structural features are briefly discussed.Furthermore,microstructure design for additive manufacturing through adjustment of process parameters and alloy composition is addressed to fulfill the great potential of the technique.This review not only builds a solid microstructural framework for metallic materials produced by additive manufacturing but also provides a promising guideline to adjust their mechanical properties. | Zhiyuan Liu Dandan Zhao Pei Wang Ming Yan Can Yang Zhangwei Chen Jian Lu Zhaoping Lu | 2022 | Journal of Materials Science & Technology2022，，5： | 27 |
| 2 | Microstructure and mechanical properties of FeCoNiCr high-entropy alloy strengthened by nano-Y_2O_3 dispersion显示文摘In this manuscript, the FeCrCoNi high entropy alloy strengthened by nano-Y_2 O_3 particles was synthesized via mechanical alloying and spark plasma sintering. Effects of Y_2 O_3 additions on the microstructure and mechanical properties were investigated.The oxide-dispersion-strengthened(ODS) high-entropy alloy bearing 5 wt% Y_2 O_3 was found to have a finer grain with respect to the single-phase face-centered cubic(FCC) alloy without oxides. Consequently, the yield strength increased from 654 to1754 MPa, and the fracture strength reached up to 2325 MPa while the plasticity decreased appreciably for the ODS high-entropy alloy. The synergic effects of grain size hardening and particle strengthening on mechanical properties of the ODS HEA were discussed. This finding indicates that the addition of nano-scaled oxides is an effective and feasible approach to designing HEAs with superior mechanical properties. | jia bei liu xiongjun wang hui wu yuan lu zhaoping | 2018 | Science China(Technological Sciences)2018，61，2： | 12 |
| 3 | Artificial intelligence in drug design显示文摘Thanks to the fast improvement of the computing power and the rapid development of the computational chemistry and biology,the computer-aided drug design techniques have been successfully applied in almost every stage of the drug discovery and development pipeline to speed up the process of research and reduce the cost and risk related to preclinical and clinical trials.Owing to the development of machine learning theory and the accumulation of pharmacological data, the artificial intelligence(AI) technology, as a powerful data mining tool, has cut a figure in various fields of the drug design, such as virtual screening,activity scoring, quantitative structure-activity relationship(QSAR) analysis, de novo drug design, and in silico evaluation of absorption, distribution, metabolism, excretion and toxicity(ADME/T) properties. Although it is still challenging to provide a physical explanation of the AI-based models, it indeed has been acting as a great power to help manipulating the drug discovery through the versatile frameworks. Recently, due to the strong generalization ability and powerful feature extraction capability,deep learning methods have been employed in predicting the molecular properties as well as generating the desired molecules,which will further promote the application of AI technologies in the field of drug design. | Feisheng Zhong Jing Xing Xutong Li Xiaohong Liu Zunyun Fu Zhaoping Xiong Dong Lu Xiaolong Wu Jihui Zhao Xiaoqin Tan Fei Li Xiaomin Luo Zhaojun Li Kaixian Chen Mingyue Zheng Hualiang Jiang | 2018 | Science China(Life Sciences)2018，61，10： | 10 |
| 4 | Dynamic deformation behavior of a face-centered cubic FeCoNiCrMn high-entropy alloy显示文摘In this study, mechanical tests were conducted on a face-centered cubic Fe Co Ni Cr Mn high-entropy alloy,both in tension and compression, in a wide range of strain rates(10^(-4)–10~4 s^(-1)) to systematically investigate its dynamic response and underlying deformation mechanism. Materials with different grain sizes were tested to understand the effect of grain size, thus grain boundary volume, on the mechanical properties. Microstructures of various samples both before and after deformation were examined using electron backscatter diffraction and transmission electron microscopy. The dislocation structure as well as deformation-induced twins were analyzed and correlated with the measured mechanical properties.Plastic stability during tension of the current high-entropy alloy(HEA), in particular, at dynamic strain rates, was discussed in lights of strain-rate sensitivity and work hardening rate. It was found that, under dynamic conditions, the strength and uniform ductility increased simultaneously as a result of the massive formation of deformation twins. Specifically, an ultimate tensile strength of 734 MPa and uniform elongation of $63% are obtained at 2.3 × 10~3 s^(-1), indicating that the alloy has great potential for energy absorption upon impact loading. | Junyang He Qi wang Husheng Zhang Lanhong Dai Toshiji Mukai Yuan Wu Xiongjun Liu Hui Wang Tai-Gang Nieh Zhaoping Lu | 2018 | Science Bulletin2018，63，6： | 9 |
| 5 | Improving plasticity of the Zr46Cu46Al8 bulk metallic glass via thermal rejuvenation显示文摘In this paper,effects of cryogenic thermal cycling on deformation behavior and thermal stability of the Zr_(46)Cu_(46)Al_8bulk metallic glass(BMG)were studied.The results show that with the increase of the number of cryogenic thermal cycles(CTC),thermal stability remains almost unchanged,while the plasticity is increased,indicating that the cryogenic thermal cyclic treatment is an effective way to improve plasticity of metallic glasses without distinctly deteriorating thermal stability.Our analysis suggests that the increase in the defect density resulted from the cryogenic thermal treatments are responsible for the plasticity increment.Variation of yield strength can be well interpreted from microstructural percolation which affected by both density and characteristic volume of the defect sites. | Wenli Song Xiaohe Meng Yuan Wu Di Cao Hui Wang Xiongjun Liu Xianzhen Wang Zhaoping Lu | 2018 | Science Bulletin2018，63，13： | 9 |
| 6 | Short-range ordering and its effects on mechanical properties of high-entropy alloys显示文摘In this letter,we briefly summarize experimental and theoretical findings of fo rmation and characterization of short-range orderings(SROs)as well as their effects on the defo rmation behavior of high-entropy alloys(HEAs).We show that existence of SROs is a common yet key structural feature of HEAs,and tuning the degree of SROs is an effective way for optimizing mechanical properties of HEAs.In additional,the challenges concerning about formation mechanism and characterization of SROs in HEAs are discussed,and future research activities in this regard are also proposed. | Yuan Wu Fei Zhang Xiaoyuan Yuan Hailong Huang Xiaocan Wen Yihan Wang Mengyuan Zhang Honghui Wu Xiongjun Liu Hui Wang Suihe Jiang Zhaoping Lu | 2021 | Journal of Materials Science & Technology2021，，3： | 8 |
| 7 | Relationship between composite structures and compressive properties in CuZr-based bulk metallic glass system显示文摘Bulk metallic glass (BMG) composites with the austenite B2 phase as reinforcement macroscopically showed strain hardening behavior due to the plasticity induced by martensitic transformation during deformation. Relationship between characteristics of the B2-CuZr reinforcing phase and uniaxial compressive properties of CuZr-based BMG composites was studied. Mechanical properties of these BMG composites were found to depend on not only the reinforced phases but also the amorphous matrix,and the yield and fracture strength can be roughly estimated by the rule of mixture principle. Distribution of the reinforced B2-CuZr phase has an important impact on the compressive plasticity even for the composites with a similar volume fraction of the crystalline phase. | WU Yuan SONG WenLi ZHANG ZhongYan HUI XiDong MA Dong WANG XunLi SHANG XinCun LU ZhaoPing | 2011 | Chinese Science Bulletin2011，56，36： | 8 |
| 8 | Magnetocaloric effect in Er-Al-Co bulk metallic glasses显示文摘A series of Er-Al-Co bulk metallic glasses (BMGs) have been prepared by the copper mold casting method. The glass forming ability and magnetocaloric effect (MCE) for these alloys have been investigated. The second-order magnetic transition from para-magnetic to ferromagnetic states takes place at about 9 K. These BMGs exhibit excellent MCE because of their large effective magneton number; Er56Al24Co20 BMG has a maximum entropy change and refrigeration capacity of 16.06 J kg-1 K-1 and 546 J kg-1,respectively,under the field of 50 kOe (10 kOe=795.775 kA/m) indicating that these BMGs are potential candidate magnetic materials for hydrogen liquefaction. | HUI XiDong XU ZhiYi WU Yuan CHEN XiaoHua LIU XiongJun LU ZhaoPing | 2011 | Chinese Science Bulletin2011，56，36： | 6 |
| 9 | Alloying effects of the elements with a positive heat of mixing on the glass forming ability of Al-La-Ni amorphous alloys显示文摘The effects of Sn and Ga additions on the glass forming ability(GFA)of(Al86La5Ni9)100 xSnx(x=0,0.2,0.3,0.5,0.7,1 and 2at.%)and(Al86La5Ni9)100 xGax(x=0,0.2,0.5,1 and 1.5 at.%)alloys were systematically investigated.Unlike common microalloying methods,both Sn and Ga have a positive heat of mixing with the main component of Al.Our analysis confirmed that proper Sn addition can suppress the strong formation ofα-Al and enhance the GFA due to the positive heat of mixing between Sn and Al and the large difference in their atomic sizes.While the addition of Ga to the base alloy acted as the nucleation cites forα-Al and accelerated precipitation of theα-Al phase,thus deteriorating the GFA. | CHEN ZiPan GAO JingEn WU Yuan WANG Hui LIU XiongJun LU ZhaoPing | 2014 | Science China(Physics,Mechanics & Astronomy)2014，57，1： | 3 |
| 10 | Interpretable machine-learning strategy for soft-magnetic property and thermal stability in Fe-based metallic glasses显示文摘Fe-based metallic glasses(MGs)have been extensively investigated due to their unique properties,especially the outstanding soft-magnetic properties.However,conventional design of soft-magnetic Fe-based MGs is heavily relied on“trial and error”experiments,and thus difficult to balance the saturation flux density(Bs)and thermal stability due to the strong interplay between the glass formation and magnetic interaction.Herein,we report an eXtreme Gradient Boosting(XGBoost)machine-learning(ML)model for developing advanced Fe-based MGs with a decent combination of Bs and thermal stability. | Zhichao Lu Xin Chen Xiongjun Liu Deye Lin Yuan Wu Yibo Zhang Hui Wang Suihe Jiang Hongxiang Li Xianzhen Wang Zhaoping Lu | 2020 | npj Computational Materials2020，，1： | 2 |
| 11 | Self-supporting nanoporous Ni/metallic glass composites with hierarchically porous structure for efficient hydrogen evolution reaction显示文摘Searching for free-standing and cost-efficient hydrogen evolution reaction(HER)electrocatalysts with high efficiency and excellent durability remains a great challenge for the hydrogen-based energy industry.Here,we report fabrication of a unique hierarchically porous structure,i.e.,nanoporous Ni(NPN)/metallic glass(MG)composite,through surface dealloying of the specially designed Ni_(40)Zr_(40)Ti_(20)MG wire.This porous composite is composed of micrometer slits staggered with nanometer pores,which not only enlarges effective surface areas for the catalytic reaction,but also facilitates the release of H2 gas.As a result,the NPN/MG hybrid electrode exhibited the prominent HER performance with a low overpotential of 78 m V at 10 m A cm^(-2)and Tafel slope of 42.4 m V dec^(-1),along with outstanding stability in alkaline solutions.Outstanding catalytic properties,combining with their free-standing capability and cost efficiency,make the current composite electrode viable for HER applications. | Jing Wang Li You Zhibin Li Xiongjun Liu Rui Li Qing Du Xianzhen Wang Hui Wang Yuan Wu Suihe Jiang Zhaoping Lu | 2021 | Journal of Materials Science & Technology2021，，14： | 2 |
| 12 | Laboratory investigation of coal sample permeability under the coupled effect of temperature and stress显示文摘The stress and temperature sensitivities of coal reservoirs are critical geological factors affectingcoalbed methane(CBM)well exploitation;in particular it is important to reduce or eliminate their influence on coal reservoir permeability.To investigate coal permeability behavior at various effective stresses and temperatures,CH4 permeability tests were conducted on raw coal samples under a varying effective stress of 2.0-8.0 MPa under five different temperatures(25℃-65℃)in the laboratory.The results show that the permeability of the coal samples exponentially decreases with increasing effective stress or temperature,which indicates obvious stress and temperature sensitivity.Through a dimension-less treatment of coal permeability,effective stress,and temperature,a new stress sensitivity index S and tempera-ture index ST are proposed to evaluate coal stress and temperature sensitivity evaluation parameters.These new parameters exhibit integrality and uniqueness,and,in combination with stress sensitivity coefficient αk,tempe-rature sensitivity coefficient αT,and the permeability damage rate PDR,the sensitivities of coal permeability to stress and temperature are evaluated.The results indicate that coal sample stress sensitivity decreases with increasing effective stress,while it first decreases and then increases with increasing temperature.Additionally,coal sample temperature sensitivity shows a downward trend when temperature increases and fluctuates when effective stress increases.Finally,a coupled coal permeability model considering the impacts of effective stress and temperature is established,and the main factors affecting coal reservoir permeability and their control mechanism are explored.These results can provide some theoretical guidance for the further development of deep CBM. | Yina YU Zhaoping MENG Jiangjiang LI Yixin LU Caixia GAO | 2022 | Frontiers of Earth Science2022，16，4： | 1 |
| 13 | Alumina-forming austenitic:A new class of heat-resistant stainless steels 显示文摘 | Brady M P Yamamoto Y Lu Zhaoping | 2008 | Stainless Steel World2008，3，： | 1 |
| 14 | Effects of density difference of constituent elements on glass formation in TiCu-based bulk metallic glasses显示文摘Glass formation is generally favored by a large atomic size mismatch among constituent elements,which usually leads to large density differences among them as well.During melting,elemental segregation occurs due to Stokes' law and then inevitably affects glass formation.In this paper,such effects on glass-forming ability in a TiCu-based alloy system have been demonstrated.In the bulk glassforming composition Ti43Cu42Hf14Si1,macroscopic segregation of Si was observed in the as-melted ingots and silicon was completely depleted in the as-cast rods.In another Ti33Cu47Ni8Zr11Si1 alloy,nevertheless,the effects of density differences among the constituent elements were less severe.It was also confrmed that using proper pre-alloys could be an effective way in alleviating the side effects of the elemental segregation. | Zhongyan Zhang Zengbao Jiao Jie Zhou Yuan Wu Hui Wang Xiongjun Liu Zhaoping Lu | 2013 | Progress in Natural Science:Materials International2013，23，5： | 1 |
| 15 | Fe-based amorphous coating prepared using high-velocity oxygen fuel and its corrosion behavior in static lead-bismuth eutectic alloy显示文摘The Fe_(949.7)Cr_(18)Mn_(1.9)Mo_(7.4)W_(1.6)B_(15.2)C_(3.8)Si_(2) amorphous coating was deposited on T91 steel substrate by using the high-velocity oxygen fuel(HVOF)spray technique to enhance the corrosion resistance of T91 stainless steel in liquid lead-bismuth eutectic(LBE).The corrosion behavior of the T91 steel and coating exposed to oxygen-saturated LBE at 400℃ for 500 h was investigated.Results showed that the T91 substrate was severely corroded and covered by a homogeneously distributed dual-layer oxide on the interface contacted to LBE,consisting of an outer magnetite layer and an inner Fe-Cr spinel layer.Meanwhile,the amorphous coating with a high glass transition temperature(Tg=550℃)and crystallization temperature(T_(x)=600℃)exhibited dramatically enhanced thermal stability and corrosion resistance.No visible LBE penetration was observed,although small amounts of Fe_(3)O_(4),Cr_(2)O_(3),and PbO were found on the coating surface.In addition,the amorphicity and interface bonding of the coating layer remained unchanged after the LBE corrosion.The Fe-based amorphous coating can act as a stable barrier layer in liquid LBE and have great application potential for long-term service in LBE-cooled fast reactors. | Xiangyang Peng Yuhai Tang Xiangbin Ding Zhichao Lu Shuo Hou Jianming Zhou Shuyin Han Zhaoping Lü Guangyao Lu Yuan Wu | 2022 | International Journal of Minerals,Metallurgy and Materials2022，29，11： | 1 |
| 16 | Local chemical ordering and its impact on radiation damage behavior of multi-principal element alloys显示文摘Multi-principal element alloys(MPEAs)have attracted much attention as future nuclear materials due to their extraordinary radiation resistances.In this work,we have elucidated the development of local chemical orderings(LCOs)and their influences on radiation damage behavior in the typical CrFeNi MPEA by hybrid-molecular dynamics and Monte Carlo simulations.It was found that considerable LCOs consist-ing of the Cr-Cr and Ni-Fe short-range orders existed in the ordered configuration with optimized system energy.Through modeling the accumulation cascades up to 1000 recoils,we revealed that the size of de-fect clusters and dislocation loops is smaller in the ordered configuration than those in the random one,although the former formed more Frenkel pairs(i.e.,self-interstitials and vacancies).In addition,the dis-tribution of dislocation loops is relatively more dispersed in the ordered configuration,and the stair-rod dislocations related to irradiation swelling are also smaller,implying that the existence of LCOs is con-ducive to enhancing radiation damage tolerance.To understand the underlying mechanism,the effects of LCOs on the formation and evolution of defects and radiation resistance were discussed from the aspects of atomic bonding,migration path,and energy of defect diffusion,which provides theoretical guidance for the design of MPEAs with enhanced radiation resistance. | Leqing Liu Xiongjun Liu Qing Du Hui Wang Yuan Wu Suihe Jiang Zhaoping Lu | 2023 | Journal of Materials Science & Technology2023，，4： | 1 |
| 17 | A grain-size-dependent structure evolution in gradient-structured(GS) Ni under tension显示文摘This work outlines an experimental investigation of grain-size-dependent structure evolution under tension in nickel with a grain size gradient.Two opposite and competing processes,grain refinement and coarsening,were examined within one specimen,due to the widely ranging grain size in gradient-structured(GS)Ni.A tensioninduced minimum grain size of approximately 280 nm was determined in GS Ni,which is comparable to those obtained by severe plastic deformation processes.The minimum grain size was phenomenologically explained using a dislocation model.Below the minimum grain size,the Ni’s grain coarsening ability peaked at approximately 50 nm and progressively decreased with decreasing grain size,showing an inverse grain-size-dependent coarsening tendency.Moreover,this inverse grain coarsening behavior was related to a transition in the deformation mechanism,through which the deformation process was accommodated more by partial dislocation than by full dislocation below a critical grain size.This was confirmed by observation of the microstructure and low temperature tensile testing results.This work demonstrates a high-throughput strategy for exploring the minimum grain size and grain-size-dependent coarsening in metals. | Yan Lin Jie Pan Zhaoping Luo Yunli Lu Ke Lu Yi Li | 2020 | Nano Materials Science2020，2，1： | 1 |
| 18 | Roles manganese effects on the oxidation resistance of the alumina-forming austenitic steels at above 800 :C 显示文摘 | Xu Xiangqi Zhang Xiaofeng Lu Zhaoping | 2012 | Oxidat Metals2012，78，56： | 1 |
| 19 | A new many-body potential with the second-moment approximation of tight-binding scheme for Hafnium显示文摘In this work,we develop a new many-body potential for alpha-hafnium(α-Hf)based on the second moment approximation of tight-binding(TB-SMA)theory by introducing an additional Heaviside step function into the potential model and a new analytical scheme of density function.All the parameters of the new potential have been systematically evaluated by fitting to ground-state properties including cohesive energy,lattice constants,elastic constants,vacancy formation energy,structure stability and equation of state.By using the present model,the melting point,melt heat,thermal expansion coefficient,point defects,and low-index surface energies ofα-Hf were calculated through molecular dynamics simulations.Comparing with experiment observations from others,it is shown that these properties can be reproduced reasonably by the present model,some results being more consistent to the experimental data than those by previous suggested models.This indicates that this work is sutiable in TB-SMA potential for hexagonal close packed metals. | LIN DeYe WANG Yi SHANG ShunLi LU ZhaoPing LIU ZiKui HUI XiDong | 2013 | Science China(Physics,Mechanics & Astronomy)2013，56，11： | 1 |
| 20 | Corrosion and irradiation behavior of Fe-based amorphous coating in lead-bismuth eutectic liquids显示文摘Lead-bismuth eutectics (LBE) have considerable potential as a candidate material for accelerator-driven sub-critical systems(ADS).However,LBE corrosion and irradiation damage are two urgent challenges remaining to be solved for impellers of primary pumps.In this study,we have explored the possibility of using Fe-based amorphous coatings to overcome LBE corrosion and concurrently to sustain irradiation damage.Specifically,the Fe_(54)Cr_(18)Mo_(2)Zr_(8)B_(18)amorphous coating was prepared by high-velocity oxygen-fuel (HVOF) spraying on 316L steel and exposed to saturated oxygen static LBE for 500 h at 400℃.The coating with high thermal stability (T_(g)=615℃ and T_(x)=660℃) effectively prevented the substrate steel from being corroded by LBE owing to its unique long-range disordered atomic packing.The coating also exhibited strong irradiation resistance when being subjected to 45 dpa (displacement per atom) Au ion irradiation at room temperature,with no sign of crystallization even at the maximum implantation depth of 300 nm.Consequently,the hardness of the coatings before and after irradiation increased slightly.The current findings shed new insights into understanding corrosion mechanism and irradiation behavior of amorphous solids in LBE and expand the application range of amorphous materials. | LU ZhiChao PENG Xiang Yang TANG YuHai HAN ShuYin WU Yuan FU EnGang DING XiangBin HOU Shuo LU GuangYao CAO PeiPei ZHANG YiBo LIU XiongJun MA Dong WANG Hui JIANG SuiHe LU ZhaoPing | 2022 | Science China(Technological Sciences)2022，65，2： | 1 |
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