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Integrating machine learning and CALPHAD method for exploring low-modulus near-β-Ti alloys

Rare Metals 2024年第1期43卷 309-323页

作者： Hao Zou Yue-Yan Tian Li-Gang Zhang Ren-Hao Xue Zi-Xuan Deng Ming-Ming Lu Jian-Xin Wang Li-Bin Liu School of Computer science and Engineering Central South UniversityChangsha 410083China School of Materials science and Engineering Central South UniversityChangsha 410083China State Key laboratory of Powder Metallurgy Central South UniversityChangsha 410083China

Traditional theoretical and empirical calculation methods can guide the design of β-and metastable β-alloys for bio-titanium. However, it is still difficult to obtain novel near-β-Ti alloys with low modulus. This study developed a method that combines machine learning with calculation of phase diagrams(CALPHAD) to facilitate the design of near-β-Ti alloys. An elastic modulus database of Ti–Nb–Zr–Mo–Ta–Sn system was constructed first, and then three features(the electron to atom ratio, mean absolute deviation of atom mass, and mean electronegativity) were selected as the key factors of modulus by performing a three-step feature selection. With these features, a highly accurate model was built for predicting the modulus of near-β-Ti alloys. To further ensure the accuracy of modulus prediction, machine learning with the elastic constants calculated was leveraged by CALPHAD database. The root mean square error of the well-trained model can be as low as 6.75 GPa. Guided by the prediction of machine learning and CALPHAD, three novel near-β-Ti alloys with elastic modulus below 50 GPa were successfully designed in this study. The best candidate alloy(Ti–26Nb–4Zr–4Sn–1Mo–Ta) exhibits an ultra-low modulus(36.6 GPa) after cold rolling with a thickness reduction of 20%. Our method can greatly save time and resources in the development of novel Ti alloys, and experimental verifications have demonstrated the reliability of this method.

关键词： Near-β-Ti alloy Machine learning Calculation of phase diagram Low-modulus alloy Feature selection

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Mutation Studies of 31 Highly Mutated Y-chromosomal Short Tandem Repeat Systems in the Han Population of Northern China

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Journal of forensic science and Medicine 2024年第2期10卷 155-162页

作者： Shicheng Hao Jinghan Chen Hang He Li Yuan Key laboratory of Evidence science Ministry of EducationChina University of Political Science and LawBeijingChina Shanghai Key Lab of forensic Medicine Key Lab of Forensic ScienceMinistry of JusticeAcademy of Forensic ScienceShanghaiChina

A six-color fluorescent multiplex amplification system for 31 Y-chromosomal short tandem repeats(Y-STRs)(DYS19,DYS390,DYS391,DYF399S1,DYF404S1,DYS439,DYS444,DYS449,DYS452,DYS456,DYS458,DYS460,DYS481,DYS508,DYS513,DYS516,DYS518,DYS543,DYS547,DYS549,DYS552,DYS557,DYS570,DYS576,DYS612,DYS622,DYS626,DYS627,DYS630,DYS635,and Y-GATA-A10)was developed for investigating the mutation rates of 31 highly mutated Y-STR genes in the Han population of northern *** mutation rates of the 31 highly mutated Y-STRs were calculated using the father-son pair study method after typing 526 Northern Han father-son pairs with this ***,148 Y-STR mutations were found,with mutation rates ranging from 0(95%confidence interval[CI]0 to 9.0×10^(−3),DYS622)to 7.0×10^(−2)(95%CI 5.1×10^(−2)to 9.7×10^(−2),DYF399S1).Out of these,126 father-son pairs were successfully identified,with a distinction rate of 24.0%(95%CI 20.4%-27.9%).The ability of the 31 highly mutated Y-STRs to distinguish closely related males from the same paternal lineage in the Northern Han population is extremely valuable for criminal investigations and other purposes.

关键词： forensic genetics mutation rate rapidly mutating Y-chromosomal short tandem repeat

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Mechanical Properties and Microstructure of the Shear Band Formed at Cryogenic Temperature in the NiCrFe Medium‑Entropy Alloy

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Acta Metallurgica Sinica(English Letters) 2024年第8期37卷 1377-1386页

作者： Ruoyu Liu Wenshu Li Xiayang Yu Lanyi Liu Bingfeng Wang School of Materials science and Engineering Central South UniversityChangsha 410083China State Key laboratory of Powder Metallurgy Central South UniversityChangsha 410083China

There are nanotwins in the shear band formed in a moment(about 10^(−5)s)in some NiCrFe-based medium-entropy alloys(MEAs),and these shear bands can be recognized as a special kind of materials due to their high strength and good *** this study,the single shear band of the NiCrFe MEA was prepared at 77 K.A series of characterizations were carried out to analyze the microstructures in the shear *** strength of the shear band was investigated by the split Hopkinson pressure bar and in-situ *** micropillar in the shear band containing nanotwins exhibits excellent strengthplasticity *** compressive yield strength of the shear band measured by in-situ compression is 175%higher than that of the matrix,reaching 1405 MPa,with the fracture strain exceeding *** strengthening mechanism of the shear band was revealed by the combination of the experimental results and molecular dynamics *** synergistic effect of multiple strengthening mechanisms enhances the strength of the NiCrFe MEA containing nanotwins,in which the grain boundary strengthening of the ultrafine equiaxed grains and the dynamic Hall–Petch effect of the nanotwins *** addition,the good plasticity of the shear band is ascribed to the stress concentration reduction of the twin boundaries of nanotwins and the activation of multiple slip systems due to the randomly oriented *** findings provide theoretical guidance for the design of nanotwinned MEAs to realize excellent strength-plasticity synergy for structural materials.

关键词： Medium-entropy alloy Shear band Nanotwins Strengthening mechanism

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Copper oxide-modified highly reversible Zn powder anode for aqueous Zn metal batteries

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Rare Metals 2024年第10期43卷 5005-5016页

作者： Guan-Qun Liu Biao Fu Zhe-Xuan Liu Lan-Yan Li Shu-Quan Liang Guo-Zhao Fang School of Materials science and Engineering Key Laboratory of Electronic Packaging and Advanced Functional Materials of Hunan ProvinceCentral South University School of science Hunan University of Technology and Business National Energy Metal Resources and New Materials Key laboratory Central South University

With the advantages of mature preparation technology,structural adjustability and suitability for large-scale application,Zn powder anode is considered to be an ideal electrode for realizing low-cost,high-energy-density aqueous Zn metal ***,the high specific surface of Zn powders leads to severe side reactions such as hydrogen evolution and corrosion,thus limiting their widespread use Here,this work develops a novel CuO@Zn powder anode with a synergy effect of surface wrapping and *** powders are uniformly wrapped by small CuO particles due to the strong adsorption between Zn and *** wrapped CuO particles build a good conductive framework to inhibit the structural collapse of the Zn powder caused by corrosion and non-uniform ***,CuO can also be used as a seed to guide the uniform deposition of Zn ions through its strong binding energy with *** a result,the Cu O@Zn anode can maintain a long cyclic life of 900 h at current density of 1 mA·cm-2and capacity of 1 mAh·cm-2,as well as contribute to an excellent capacity retention of 92%after 800cycles for CuO@Zn||NH4V4O10full *** at high current density of 5 A·g-1,the full cell exhibits a specific capacity of more than 200 mAh·g-1after 800 cycles,with a good capacity retention of 89%.This work provides a new idea for developing high-performance Zn powder-based anodes.

关键词： Aqueous Zn metal batteries Copper oxide Surface wrapping Zn anode Zn powder

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Developing Core-Shell Nano-Structures in FeCrAl-ODS Ferritic Alloys with the Co-Addition of Ni and Zr

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Acta Metallurgica Sinica(English Letters) 2024年第2期37卷 364-372页

作者： Wenquan Ding Jieli Ma Yong Jiang Yiren Wang Huiqun Liu Key laboratory for Nonferrous Materials of Ministry of Education School of Materials Science and EngineeringCentral South UniversityChangsha410083China National Key laboratory for Powder Metallurgy Central South UniversityChangsha410083China

A new Ni+Zr co-alloyed FeCrAl-ODS(oxide-dispersion-strengthened)ferritic alloy was fabricated by ball-milling and *** electron microscopy and atom probe tomography,the dispersive formation of high density core-shelled nano-particles of various sizes was confirmed with a common B2-NiAl *** which,median-sized nano-particles(20-50 nm)typically have an Y_(4)Al_(2)O_(9)nano-core of<~20 nm,ultra-fine nano-particles(<~20)nm have an Y_(4)Zr_(3)O_(12)nano-core of<~10 nm,and larger-sized nano-particles(50-100 nm)incorporate an ultra-fine Y_(4)Al_(2)O_(9)nano-core and a few ultra-fine Y_(4)Zr_(3)O_(12)*** these nano-phases were highly coherent with the ferritic *** large Y--Al-O nano-oxides were *** total number density of ultra-fine nano-particles was estimated as~2×10^(23)m^(-3)with a mean size of 6.3 nm only,and accordingly,the new alloy achieved an excellent combination of strength and ductility at high temperatures.

关键词： FeCrAl Oxide-dispersion-strengthened(ODS)alloy Mechanical alloying Nano-oxides Core-shell

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Highly sensitive nanozyme strip:An effective tool for forensic material evidence identification

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Nano Research 2024年第3期17卷 1785-1791页

作者： Juanji Hong Zhanjun Guo Dihan Duan Yi Zhang Xin Chen Yongjiu Li Zheng Tu Lei Feng Lei Chen Xiyun Yan Lizeng Gao Minmin Liang Demin Duan Experimental Center of Advanced Materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing 100081China College of Bioscience and Biotechnology Shenyang Agricultural UniversityShenyang 110866China Chongqing kangjuquanhong biology science and technology Co. ltdChongqing 400026China Key laboratory of forensic Genetics Institute of Forensic ScienceMinistry of Public SecurityBeijing 100038China CAS Engineering laboratory for Nanozyme Key Laboratory of BiomacromoleculesInstitute of BiophysicsChinese Academic of ScienceBeijing 100101China

During criminal case investigations,blood evidence tracing is critical for criminal ***,the blood stains are often cleaned or covered up after the crime,resulting in trace residue and difficult ***,a highly sensitive and specific method for the rapid detection of human blood stains remains *** solve this problem,we established a nanozyme-based strip for rapid detection of blood evidence with high sensitivity and *** construct reliable nanozyme strips,we synthesized CoFe_(2)O_(4) nanozymes with high peroxidase-like activity by scaling up to gram level,which can be supplied for six million tests,and conjugated antibody as a detection probe in nanozyme *** developed CoFe_(2)O_(4) nanozyme strip can detect human hemoglobin(HGB)at a concentration as low as 1 ng/mL,which is 100 times lower than the commercially available colloidal gold strips(100 ng/mL).Moreover,this CoFe_(2)O_(4) nanozyme strip showed high generality on 12 substrates and high specificity to human HGB among 13 animal blood ***,we applied the developed CoFe_(2)O_(4) nanozyme strip to successfully detect blood stains in three real cases,where the current commercial colloidal gold strip failed to *** results suggest that the CoFe_(2)O_(4) nanozyme strip can be used as an effective on-scene detection method for human blood stains,and can further be used as a long-term preserved material evidence for traceability inquiry.

关键词： CoFe_(2)O_(4)nanozyme nanozyme strip peroxidase-like activity human hemoglobin blood evidence

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Controlling the Si/C ratio in SiC matrix based on the modified polymethysilane for C/C-SiC composites with enhanced mechanical properties

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Journal of Advanced Ceramics 2024年第2期13卷 220-236页

作者： Mingdong Liao Xiebo Hu Chenghao Zhong Ping Xu Xiaodong Wang Ze Zhang Peng Zhou Mingyu Zhang Zhean Su Qizhong Huang National Key laboratory of science and Technology on High-Strength Structural Materials Central South UniversityChangsha 410083China

Fabricating SiC matrix with controllable Si/C ratio for C/C-SiC composites via precursor infiltration and pyrolysis is difficult to realize due to the absence of suitable ***,SiC precursors with Si-rich(Si/C=1.23),nearstoichiometric(Si/C=1.01),and C-rich(Si/C=0.88)pyrolyzed ceramics at 1200℃ were successfully synthesized by the novel modification of *** structure and ceramization of synthesized SiC precursors were studied,and C/C-SiC composites with similar Si/C ratio in SiC matrix were also *** results revealed that the defects and Young’s modulus of SiC matrix and the thermal residual stress on pyrolytic carbon coated carbon fiber were determined by the Si/C *** a result,the Si/C ratio exerted significant effects on the crack deflection behavior and the mechanical properties of the *** composites with near-stoichiometric SiC matrix showed excellent mechanical properties because of the effective crack deflection and the moderate Young’s modulus of their SiC *** flexural strength,flexural modulus,and compressive strength were 423±27 MPa,33.41±4.52 GPa,and 393±8 MPa,***,after a heat treatment at 1600℃,the role of carbon fiber toughening was improved and accompanied by a decrease in mechanical properties for all composites,which was attributed to the increased defects in SiC matrix and the damaged interfaces by the thermal residual stress.

关键词： SiC precursor Si/C ratio polymethysilane C/C–SiC composites mechanical properties

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Structural and magnetic properties of micropolycrystalline cobalt thin films fabricated by direct current magnetron sputtering

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International Journal of Minerals,Metallurgy and Materials 2024年第2期31卷 384-394页

作者： Kerui Song Zhou Li Mei Fang Zhu Xiao Qian Lei School of Materials science and Engineering Central South UniversityChangsha 410083China State Key laboratory of Powder Metallurgy Central South UniversityChangsha 410083China Hunan Key laboratory of Super-Microstructure and Ultrafast Process School of Physics and electronicsCentral South UniversityChangsha 410083China Key laboratory of Non-Ferrous Metal Materials science and Engineering Ministry of EducationChangsha 410083China

Pure cobalt(Co)thin films were fabricated by direct current magnetron sputtering,and the effects of sputtering power and pres-sure on the microstructure and electromagnetic properties of the films were *** the sputtering power increases from 15 to 60 W,the Co thin films transition from an amorphous to a polycrystalline state,accompanied by an increase in the intercrystal pore ***,the resistivity decreases from 276 to 99μΩ·cm,coercivity increases from 162 to 293 Oe,and in-plane magnetic aniso-tropy *** the sputtering pressure decreases from 1.6 to 0.2 Pa,grain size significantly increases,resistivity significantly de-creases,and the coercivity significantly increases(from 67 to 280 Oe),which can be attributed to the increase in defect ***-pondingly,a quantitative model for the coercivity of Co thin films was *** polycrystalline films sputtered under pressures of 0.2 and 0.4 Pa exhibit significant in-plane magnetic anisotropy,which is primarily attributable to increased microstress.

关键词： cobalt thin film magnetron sputtering microstructure electromagnetic properties

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A Case of Two Full Sisters Share Identical Genotypes on the X Chromosome

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Journal of forensic science and Medicine 2024年第3期10卷 255-260页

作者： Jinpei Zhang Guangbin Zhao Shicheng Hao Chong Chen Yan Shi Xinyue Xiao Le Wang Li Yuan Collaborative Innovation Center of Judicial Civilization BeijingChina Key laboratory of Evidence science(China University of Political science and Law) Ministry of EducationBeijingChina Key laboratory of forensic Genetics of Ministry of Public Security Institute of Forensic ScienceMinistry of Public SecurityBeijingChina Beijing Tongda Shoucheng Institute of forensic science BeijingChina

X-chromosomal genetic markers are frequently employed in forensic parentage determination owing to their distinctive inheritance *** kinship analysis revealed that two sisters who were not identical twins had identical genotypes on the X chromosome,encompassing 36 X-chromosomal short tandem repeats(X-STRs)and 29 X-chromosomal single-nucleotide polymorphisms(X-SNPs)that spanned the whole X chromosome from the p-telomere to the *** identical X-STRs and X-SNPs in the daughters could be the result of linkage or a rare chance of *** highlights the need for careful analysis and interpretation when dealing with X chromosome markers and that in individual cases,even if two women share an allele at each locus,this does not necessarily mean that they are paternal *** likelihood of random concordance due to maternal alleles must be taken into account.

关键词： Linkage disequilibrium recombination short tandem repeats single-nucleotide polymorphisms X chromosome

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On the low cycle fatigue behaviour of an Al-Zn-Mg-Cu alloy processed via non-isothermal ageing

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Journal of Materials science & Technology 2024年第1期168卷 227-238页

作者： Guangyi Guo Guofu Xu Yuan Tang Zhihao Zhao Zhihao Yi Haoran Li Ruohan Wang Xiaoyan Peng School of Materials science and Engineering Central South UniversityChangsha 410083China Key laboratory of Nonferrous Materials science and Engineering of Ministry of Education Changsha 410083China

The low cycle fatigue behaviour of an Al-Zn-Mg-Cu alloy processed via non-isothermal ageing(NIA)was examined at different strain *** showed that NIA improved the low cycle fatigue life(more than 7000 cycles)by optimising the precipitate configuration within 5.5 h while maintaining comparable mechanical properties(570 MPa for tensile strength)and conductivity(nearly 39%IACS)to conventional isothermal ageing,*** observation combined with molecular dynamic simula-tion revealed that precipitation configuration manipulated by NIA had a crucial effect on fatigue resis-tance.A great number of repeatedly sheared and locally destructed GP zones enhanced co-planar slip and slip localisation in the under-aged alloy during the early stage of NIA,responsible for the dramatic displacement steps on the surface and resultant poor fatigue *** the NIA further proceeded,moderately coarsened precipitates with an average dimension of 6.0 nm and elevated number density ef-fectively impeded the dislocation movement and weaken the slip localisation to a great extent,improving the fatigue performance within a few hours.

关键词： Non-isothermal ageing Fatigue Al-Zn-Mg-Cu alloy Precipitate manipulation Slip localization

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