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

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China Foundry 2023年第5期20卷 414-422页

作者： Tian-yu Liu Yan-chun Lou Shuang Zhang Zhi-hao Zhu Jun Zhao Shi-bing Liu Kun Shi Ning Zhao National Key Laboratory of Advanced Casting Technologies Shenyang Research Institute of Foundry Co.Ltd.CAMShenyang 110022China School of Materials Science and Engineering Beihang UniversityBeijing 100191China School of Materials Science and Engineering Dalian Jiaotong UniversityDalian 116028LiaoningChina School of Materials Science and Engineering Dalian University of TechnologyDalian 116024LiaoningChina

A novel Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy was designed using the cluster formula approach(cluster-plus-glue-atom model)and prepared by laser melting deposition(LMD).Its composition formula 12[Al-Ti_(12)](AlTi_(2))+5[Al_(0.8)Si_(0.2)-Ti_(12)Zr_(2)](V_(0.8)Mo_(0.2)Nb_(1)Ti)features an enhancedβ-Ti via co-alloying of Zr,V,Mo,Nb and *** experimental results show that the cluster formula ofαandβphases in the novel alloy are respectivelyα-[Al-Ti_(11.5)Zr_(0.5)](Al_(1)Ti_(2))andβ-[Al_(0.8)Si_(0.2)-Ti_(13.2)Zr_(0.8)](V_(1)Mo_(0.4)Nb_(1.6)),both containing Zr *** fitted composition via the α andβphase cluster formulas has little difference with the actual alloy composition,suggesting that the validity of cluster-plus-glue-atom model in the alloy composition *** hot isostatic pressing(HIP),both the Ti-6Al-4V and the novel alloy by LMD are characterized by prior-βcolumnar grains,while the typicaltexture *** with Ti-6Al-4V,Ti-5.55Al-6.70Zr-1.50V-0.70Mo-3.41Nb-0.21Si alloy exhibits a combination of higher strength(1,056 MPa)and higher ductility(14%)at room temperature and higher strength(580 MPa)at 550℃ after HIP,and can potentially serves as LMD materials.

关键词： additive manufacturing laser melting deposition novel titanium alloy composition design cluster-plus-glue-atom model

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Composition formula of Al-TMs high-entropy alloys derived by cluster-plus-glue-atoms model and its experimental verification

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China Foundry 2022年第6期19卷 544-550页

作者： Tian-yu Liu Kun Shi Jun Zhao Shi-bing Liu Hong-yu Liu Bo-liang Liu Xin-min Mei Zhao-sheng Ning Xiao-ming Chen State Key Laboratory of Light Alloy Casting Technology for High-end Equipment Shenyang Research Institute of Foundry Co.Ltd.Shenyang 110022China

High-entropy alloys(HEAs)are based on solid solutions which characterized by chemical short-range ordering(CSRO),but there is no accurate structural tool to address CSRO characteristic,which obstacles precise composition design for *** this study,based on the cluster-plus-glue-atoms model,the composition law of Al-TMs(TMs,transition metals)HEAs with BCC and FCC structures was *** BCC structure,with five elements in equi-atomic ratio,the composition formula of Al-TMs HEAs can be expressed by a cluster formula[Al-M_(14)]Al_(3),and in non equi-atomic ratio can be expressed by[Al-M_(14)]Al,where M is the average atom of the *** in FCC structure,both Al-TMs HEAs with five elements in equiatomic and non equi-atomic ratios can be expressed by a cluster formula[Al-M_(12)]*** confirm the effectiveness of cluster formula for Al-TMs,two alloys were designed,[Al-Ti_(4)V_(3)Nb_(4)Mo_(3)]Mo and[Al-Ti_(3)V_(3)Nb_(4)Mo_(4)]*** show that the[Al-Ti_(3)V_(3)Nb_(4)Mo_(4)]Al alloy has both higher strength and higher plastic deformation at room ***,[Al-Ti_(3)V_(3)Nb_(4)Mo_(4)]Al alloy shows slower soften effect at 800℃,contributed to its higher *** substituting Ta for some of Mo,the strength of[Al-Ti_(3)V_(3)Nb_(4)Mo_(3)Ta]Al at room temperature and high temperature drastically decreases,suggesting that Ta element deteriorates the properties of Al-TMs alloys.

关键词： Al-TMs high-entropy alloys composition design short-range order cluster-plus-glue-atom model

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Solute-homogenization model and its experimental verification in Mg-Gd-based alloys

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Journal of Materials Science & Technology 2018年第7期34卷 1132-1141页

作者： Shengnan Qian Chuang Dong Tianyu Liu Ying Qin Qing Wang Yujuan Wu Lidong Gu Jianxin Zou Xiangwen Heng Liming Peng Xiaoqin Zeng Key Laboratory of Materials Modification (Ministry of Education) School of Material Science and Engineering Dalian University of Technology National Engineering Research Center of Light Alloy Net Forming and State Key Laboratory of Metal Matrix Composite Shanghai Jiao Tong University

Composition homogenization in solid solution is important for industrial alloys. In the present work, a solute homogenization model is proposed based on the chemical short-range-order tendency in Mg-Gd- based alloys. After a calculation using the cluster-plus-glue-atom model, the stable Mg-Gd structural unit is derived, [Gd-Mg12 ]Mg6, where one solute Gd is nearest-neighbored with twelve Mg atoms to form the characteristic hcp cluster [Gd-Mg12 ] and this cluster is matched with six Mg glue atoms. Such a local unit is then mixed with [Mg-Mg12 ]Mg3, the stable unit for pure Mg. Assuming that the Gd-containing units are arranged in fcc- or bcc-like lattice points and the Mg units in their octahedral interstices, three proportions between the two units are obtained, 1：1, 2：3, and 1：3, which constitute three solute homogenization modes. The prevailing Mg-Gd-based alloys are consequently classified into three groups, respectively exemplified by GW103 K （Mg-10Gd-3Y-0.4Zr, wt%）, GW83 K （Mg-SGd-3Y-0.4Zr）, and GW63 K （Mg-6Gd- 3Y-0.4Zr）. Mg-Gd-Y-Zr alloys were designed following the model （where Y and Zr were also added in substitution for Gd） and prepared by permanent-mould casting. According to their mechanical properties, the 1：3 alloy （Mg-5.9Gd-1.6Y-0.4Zr） shows the best comprehensive properties （ultimate tensile strength 305 MPa, yield strength 186 MPa, elongation 9.0%） in solution plus ageing state.2017 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science ＆ Technology.

关键词： Mg-Gd solid solution cluster-plus-glue-atom model Solute-homogenization model Mg-Gd-Y-Zr cast alloys

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

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China Foundry 2021年第4期18卷 424-432页

作者： Tian-yu Liu Zhi-hao Zhu Shuang Zhang Xiao-hua Min Chuang Dong School of Materials Science and Engineering Dalian University of TechnologyDalian 116024LiaoningChina School of Materials Science and Engineering Dalian Jiaotong UniversityDalian 116028LiaoningChina

In this study,α+βTi-Al-V-Mo-Nb alloys with the addition of multiple elements that are suitable for laser additive manufacturing(LAM)were designed according to a Ti-6Al-4V cluster *** formula can be expressed as 12[Al-Ti12](AlTi2)+5[Al-Ti14]((Mo,V,Nb)2Ti),in which Mo and Nb were added into the alloys partially instead of V to give alloys with nominal compositions of Ti-6.01Al-3.13V-1.43Nb,Ti-5.97Al-2.33V-2.93Mo,and Ti-5.97Al-2.33V-2.20Mo-0.71Nb(wt.%).The microstructures and mechanical properties of the as-deposited and heat-treated samples prepared via LAM were *** sizes of theβcolumnar grains andαlaths in the Nb-containing samples are found to be larger than those of the Ti-6Al-4V alloy,whereas Mo-or Mo/Nb-added alloys contain finer *** indicates that Nb gives rise to coarsenedβcolumnar grains andαlaths,while Mo significantly refines ***,the single addition of Nb improves the elongation,whereas the single addition of Mo enhances the strength of the *** simultaneous addition of Mo/Nb significantly improves the comprehensive mechanical properties of the alloys,leading to the best properties with an ultimate tensile strength of 1,070 MPa,a yield strength of 1,004 MPa,an elongation of 9%,and micro-hardness of 355 *** fracture modes of all the alloys are ductile-brittle mixed fracture.

关键词： titanium alloy laser additive manufacturing cluster-plus-glue-atom model composition design microstructure mechanical properties

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High-Temperature Structural Stabilities of Ni-Based SingleCrystal Superalloys Ni–Co–Cr–Mo–W–Al–Ti–Ta with Varying Co Contents

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Acta Metallurgica Sinica(English Letters) 2018年第2期31卷 127-133页

作者： Yu Zhang Qing Wang Hong-Gang Dong Chuang Dong Hong-Yu Zhang Xiao-Feng Sun Key Laboratory of Materials Modification by Laser Ion and Electron Beams (Dalian University of Technology) Ministry of Education Superalloys Division Institute of Metal Research Chinese Academy of Sciences

It has been recently pointed out that the compositions of industrial alloys are originated from cluster-plus-glueatom structure units in solid solutions. Specifically for Ni-based superalloys, after properly grouping the alloying elements into Al, Ni-like（Ni^-）, γ＇-forming Cr-like（Cr^-γ＇） and γ-forming Cr-like（Cr^-γ＇）, the optimal formula for single-crystal superalloys is established [Al–Ni^-12]（AlCr^-γ0：5Cr^-γ1：5）. The Co substitutions for Ni at the shell sites are conducted on the basis of the first-generation single-crystal superalloy AM3, formulated as [Al-Ni2-xCox]（Al1Ti0.25Ta0.25Cr1W0.25Mo0.25）, with x = 1.5, 1.75, 2 and 2.5（the corresponding weight percents of Co are 9.43, 11.0, 12.57 and 15.71, respectively）. The900 ℃ long-term aging follows the Lifshitz–Slyozov–Wagner theory（LSW theory）, and the Co content does not have noticeable influence on the coarsening rate of c0. The microstructure and creep behavior of the four（001） single-crystal alloys are investigated. The creep rupture lifetime is reduced as Co increases. The alloy with the lowest Co（9.43 Co） shows the longest lifetime of about 350 h at 1050 ℃/120 MPa, and all the samples show N-type rafting after creep tests.

关键词： Nickel-based single-crystal superalloys cluster-plus-glue-atom model Composition formula Co

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Composition optimization of inconel 718 via cluster formula and experimental verification

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Journal of Materials Science & Technology 2023年第9期140卷 249-259页

作者： Yancheng Li Mo Li Qing Wang Yajun Zhao Shuang Zhang Cunlei Zou Ying Li Lianchao Wang Chuang Dong Key Laboratory of Materials Modification by Laser Ion and Electron BeamsMinistry of EducationSchool of Materials Science and EngineeringDalian University of TechnologyDalian 116024China School of Materials Science and Engineering Dalian Jiaotong UniversityDalian 116028China Dongbei Special Steel Group Co. Ltd.Dalian 116105China

Superalloys feature multi-elements and complex elemental ranges,which makes the proper composition selection *** fact,more strict composition standards generally apply in practical *** objective of this paper is to understand and eventually to renew the composition standard via example of the most common grade Inconel *** have recently shown that t he alloy chemistry originates from a nearest-neighbor cluster[center-shell]plus a few next-neighbor glue atoms,or expressed in cluster for-mula[center-shell](glue atoms).By grouping the elements into Ni=(Ni,Co,Cu,Fe),Cr=(Cr,Mn,Si,Mo),and Nb=(Nb,Al,Ti),it is found that the reported alloys fall within a narrow composition zone Ni_(11.0-13.0)-Cr_(3.5-4.5)-Nb_(1) confined by cluster formulas of 16 and 18 *** composition zone is also expressed in terms of 288-atom supercluster formulas,Ni_(198-208)-Cr_(63-72)-Nb_(16-18),which leads to coordi-nated elemental variations in wt.%:69.0≤Ni+Co+Cu+Fe≤72.7;19.8≤Cr+Mn+1.7 Si+0.6 Mo≤22.8;8.7≤Nb+3.2 Al+1.9 Ti≤*** this composition zone,Ni_(206)-Cr_(65.5)-Nb_(16.5) is further pinpointed and validated by our own experiments to possess the optimal match of strength and plasticity both at room and at 923 K.

关键词： Inconel 718 superalloy cluster-plus-glue-atom model cluster formula Composition standard

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Composition formulas of Ti alloys derived by interpreting Ti-6Al-4V

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Science China(Technological Sciences) 2021年第8期64卷 1732-1740页

作者： LIU TianYu ZHANG Shuang WANG Qing MIN XiaoHua DONG Chuang Key Laboratory for Materials Modification by Laser Ion and Electron BeamsDalian University of TechnologyMinistry of EducationDalian116024China School of Materials Science and Engineering Dalian Jiaotong UniversityDalian116028China

Titanium alloys are composed ofαandβphases and are classified as nearα,dual-phaseα+β,andβ*** study attempts to derive their general composition formulas within the cluster-plus-glue-atom model by interpreting Ti-6A1-4V and other popular dual-phaseα+βTi alloy s with well-established chemical *** model identifiedαmolecule-like structural unit that covers onlyαnearest-neighbor cluster along withαfew next-neighbor glue atoms,which can be represented as"[cluster](glue atoms)x".The structural units of theαandβphases in Ti-6Al-4V,α-[Al-Ti_(12)](AlTi_(2)),andβ-[Al-Ti_(14)](V2Ti),were derived first and were in an unusual unit ratio of about 2.33:*** obtain an alloy composition formula that satisfied this unit ratio,the two clusters were treated as hard spheres of different radii and packed according to the clusterplusglueatom *** calculations determined that the Ti-6A1-4V alloy unit is composed of 12α-[Al-Ti_(12)](AlTi_(2))and 5β-[Al-Ti_(14)](V2Ti)units(Ti-6.05A1-3.94V wt.%),with the fractional volume of theβphase being 32.5 vol.%,which is in agreement with experimental ***,we describe how the chemical formulas of theαand p phases explain the high temperature near-a alloys(such as Ti-1100,[Al-(Ti_(0.97)Zr_(0.03))_(12)](Al_(0.67)Si_(0.12)Sn_(0.18)Mo_(0.03))_(1.01)Ti_(1.99))and high-strengthβ-Ti alloys(such as Ti-5553,[Al-Ti_(14)](Al_(0.24)Fe_(0.03)Cr_(0.20)-Mo_(0.18)V0.35)_(2.45)Ti_(0.55)),respectively.

关键词： Ti-6Al-4V titanium alloys chemical formula cluster-plus-glue-atom model cluster-resonance model

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

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China Foundry 2023年第1期20卷 23-28页

作者： Zhi-hao Zhu Yu-han Liu Zhi-peng Chen Tian-yu Liu Shuang Zhang Dan-dan Dong Chuang Dong Key Laboratory for Materials Modification by Laser Ionand Electron Beams and School of Materials Science and EngineeringDalian University of TechnologyDalian 116024LiaoningChina State Key Laboratory of Light Alloy Casting Technology for High-end Equipment Shenyang Research Institute of Foundry Co.Ltd.Shenyang 110022China School of Materials Science and Engineering Dalian Jiaotong UniversityDalian 116028LiaoningChina College of Physical Science and Technology Dalian UniversityDalian 116622LiaoningChina

Ti-Al-V-Zr quaternary titanium alloys were designed followingα-{[Al-Ti12](AlTi2)}17-n+β-{[Al-Ti12Zr2](V3)}n,where n=1-7(the number ofβunits),on the basis of the dual-cluster formula of popular Ti-6Al-4V *** an alloying strategy aims at strengthening the alloy via Zr and V co-alloying in theβ-Ti unit,based on the originalβformula[Al-Ti14](V2Ti)of Ti-6Al-4V *** microstructures of the as-cast alloys by copper-mold suction-casting change from pureα(n=1)toα+α’martensite(n=7).When n is 6,Ti-5.6Al-6.8V-8.1Zr alloy reaches the highest ultimate tensile strength of 1,293 MPa and yield strength of 1,097 MPa,at the expense of a low elongation of 2%,mainly due to the presence of a large amount of acicularα’*** specific strength far exceeds that of Ti-6Al-4V alloy by 35%.

关键词： titanium alloy cluster-plus-glue-atom model composition design microstructure mechanical properties

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Minor-alloyed Cu-Ni-Si alloys with high hardness and electric conductivity designed by a cluster formula approach

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Progress in Natural Science:Materials International 2017年第4期27卷 467-473页

作者： Dongmei Li Qing Wang Beibei Jiang Xiaona Li Wenlong Zhou Chuang Dong Hua Wang Qingxiang Chen Key Lab of Materials Modification by laser Iron and Electron Beams (Ministry of Education) School of Materials Science and Engineering Dalian University of Technology College of Mechanical Engineering Inner Mongolia University for Nationalities CNGC Shanxi Chunlei Cuprum Co. Ltd

Cu-Ni-Si alloys are widely used due to their good electrical conductivities in combination with high strength and hardness. In the present work, minor-alloying with M =（Cr, Fe, Mo, Zr） was conducted for the objective of further improving their hardness while maintaining their conductivity level. A cluster-plus-glue-atom model was introduced to design the compositions of M-alloyed Cu-Ni-Si alloys, in which an ideal composition formula[（Ni,Si,M）-Cu;]Cu;（molar proportion） was proposed. To guarantee the complete precipitation of solute elements in fine δ-Ni;Si precipitates, the atomic ratio of（Ni,M）/Si was set as 2/1. Thus the designed alloy series of Cu;（Ni/Zr）;Si;（Cr/Fe/Mo）;（at%） were arc-melted into ingots under argon atmosphere, and solidsolutioned at 950 ℃ for 1 h plus water quenching and then aged at 450 ℃ for different hours. The experimental results showed that these designed alloys exhibit high hardness（HV> 1.7 GPa） and good electrical conductivities（≥ 35% IACS）. Specifically, the quinary Cu;Ni;Si;（Cr/Fe）;Zr;alloys(Cu-3.32 Ni-0.93 Si-0.37（Cr/Fe）-0.30 Zr wt%) possess both a high hardness with HV = 2.5-2.7 GPa, comparable to the highstrength KLFA85 alloy（Cu-3.2 Ni-0.7 Si-1.1 Zn wt%,HV= 2.548 GPa）,and a good electrical conductivity（35-36% IACS）.

关键词： Cu-Ni-Si alloys Composition design cluster-plus-glue-atom model Microhardness Electrical conductivity

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Effect of processing parameters on formability, microstructure, and micro-hardness of a novel laser additive manufactured Ti-6.38Al-3.87V-2.43Mo alloy

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China Foundry 2022年第2期19卷 158-168页

A novel Ti-6.38Al-3.87V-2.43Mo alloy was designed with a cluster formula of 12[Al-Ti12](V0.75Mo0.25Ti2)+4[Al-Ti12](Al3)by replacing Ti with Mo/V on the basis of the Ti-Al congruent *** effects of laser power and scanning speed on the molten pool size,surface roughness,relative density,microstructure,and micro-hardness of single-track and bulk Ti-6.38Al-3.87V-2.43Mo samples prepared via laser additive manufacturing(LAM)were *** results show that processing parameters significantly affect the formability,microstructure,and micro-hardness of the *** decreasing laser power from 1,900 W to 1,000 W,the relative density is decreased from 99.86%to 90.91%due to the increase of lack-of-fusion;however,with increasing scanning speed,the relative density does not change significantly,but exceeds 99%.In particular,Ti-6.38Al-3.87V-2.43Mo samples of single-track and bulk exhibit a good formability under an input laser power of 1,900 W and a scanning speed of 8 mm·s_(-1),and display the lowest surface roughness(Ra=13.33μm)and the highest relative density(99.86%).Besides,the microstructure of LAM Ti-6.38Al-3.87V-2.43Mo alloy coarsens with increasing laser power or decreasing scanning speed due to the greater input energy reducing the cooling *** coarsening of the microstructure decreases the microhardness of the alloy.

关键词： laser additive manufacturing composition design cluster-plus-glue-atom model microstructure properties

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