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Thermo-kinetic characteristics on stabilizing hetero-phase interface of metal matrix composites by crystal plasticity finite element method

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Journal of Materials Science & Technology 2024年第2期169卷 53-67页

作者： y.B.Zhang S.J.Song f.Liu State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Analytical&Testing Center Northwestern Polytechnical UniversityXi’an 710072China

Using dislocation-based constitutive modeling in three-dimension crystal plasticity finite element(3D CPfE)simulations,co-deformation and instability of hetero-phase interface in different material systems were herein studied for polycrystalline metal matrix composites(MMCs).Local stress and strain fields in two types of 3layer MMCs such as fcc/fcc Cu-Ag and fcc/bcc Cu-Nb have been predicted under simple compressive ***,more severe strain-induced interface instability can be observed in the fcc/bcc systems than in the fcc/fcc systems upon refining to metallic nanolayered composites(MNCs).By detailed analysis of stress and strain localization,it has been demonstrated that the interface instability is always accompanied by high-stress concentration,i.e.,thermodynamic characteristics,or high strain prevention i.e.,kinetic characteristics,at the hetero-phase *** then follows that the thermodynamic driving forceG and the kinetic energy barrier Q during dislocation and shear banding can be adopted to classify the deformation modes,following the so-called thermo-kinetic *** by inserting a high density of high-energy interfaces into the Cu-Nb composites,such thermo-kinetic integration at the hetero-phase interface allows a successful establishment of MMCs with the high△G-high Q deformation mode,which ensures high hardening and uniform strain distri-bution,thus efficiently suppressing the shear band,stabilizing the hetero-phase interface,and obtaining an exceptional combination in strength and *** hetero-phase interface chosen by a couple of thermodynamics and kinetics can be defined as breaking the thermo-kinetic correlation and has been proposed for artificially designing MNCs.

关键词： Thermodynamics and kinetics Physics-based constitutive modeling hetero-phase interface Crystal plasticity finite element

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Reactive destabilization and bidirectional catalyzation for reversible hydrogen storage of LiBH_(4) by novel waxberry-like nano-additive assembled from ultrafine fe_(3)O_(4) particles

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Journal of Materials Science & Technology 2024年第6期173卷 63-71页

作者： S.Wang M.H.Wu y.y.Zhu Z.L.Li y.X.yang y.Z.Li H.f.Liu M.X.Gao Department of Material Science Shenzhen MSU-BIT UniversityShenzhen 518172China State Key Laboratory of Silicon and Advanced Semiconductor Materials&School of Materials Science and Engineering Zhejiang UniversityHangzhou 310027China Institute of Resources Utilization and Rare Earth Development State Key Laboratory of Rare Metals Separation and Comprehensive UtilizationGuangdong Provincial Key Laboratory of Rare Earth Development and ApplicationGuangdong Academy of SciencesGuangzhou 510650China Institute of Science and Technology for New Energy Xi’an Technological UniversityXi’an 710021China National Supercomputing Center in Shenzhen Shenzhen 518055China

LiBH_(4) containing 18.5 wt.%H_(2) is an attractive high-capacity hydrogen storage material,however,it suffers from high operation temperature and poor ***,a novel and low-cost bifunctional additive,waxberry-like fe_(3)O_(4) secondary nanospheres assembled from ultrafine primary fe_(3)O_(4) nanoparticles,is synthesized,which exhibits significant destabilization and bidirectional catalyzation towards(de)hydrogenation of LiBH_(4).With an optimized addition of 30 wt.% waxberry-like fe_(3)O_(4),the system initiated dehydrogenation below 100℃ and released a total of 8.1 wt.%H_(2) to 400℃.After 10 cycles,a capacity retention of 70% was achieved,greatly superior to previously reported oxides-modified *** destabilizing and catalyzing mechanisms of waxberry-like fe_(3)O_(4) on LiBH_(4) were systematically analyzed by phase and microstructural evolutions during dehydrogenation and hydrogenation cycling as well as density functional theory(DfT)*** present work provides new insights in developing advanced nano-additives with unique structural and multifunctional designs towards LiBH4 hydrogen storage.

关键词： LiBH_(4) Hydrogen storage Waxberry-like fe_(3)O_(4) Destabilization Catalysis

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In-situ construction of grass-like hybrid architecture responsible for extraordinary corrosion performance: Experimental and theoretical approach

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Nano Materials Science 2024年第1期6卷 44-59页

作者： T.Suhartono f.Hazmatulhaq y.Sheng A.Chaouiki M.P.Kamil y.G.Ko Materials Electrochemistry Group School of Materials Science and EngineeringYeungnam UniversityGyeongsan38541Republic of Korea Research Center for Advanced Materials National Research and Innovation Agency(BRIN)South TangerangBanten15314Indonesia

Despite the engineering potential by the co-existence of inorganic and organic substances to protect vulnerable metallic materials from corrosive environments,both their interaction and in-situ formation mechanism to induce the nature-inspired composite remained less *** present work used three distinctive mercaptobenzazole(MB)compounds working as corrosion inhibitors,such as 2-mercaptobenzoxazole(MBO),2-mercaptobenzothiazole(MBT),and 2-mercaptobenzimidazole(MBI)in a bid to understand how the geometrical structure arising from O,S,and N atoms affected the interaction toward inorganic *** compounds that were used here to control the corrosion kinetics would be interacted readily with the pre-existing MgO layer fabricated by plasma *** phenomenon triggered the nucleation of the root network since MB compounds were seen to be adsorbed actively on the defective surface through the active sites in MB ***,the molecule with twin donor atoms adjacent to the mercapto-sites affected the facile growth of the grass-like structures with‘uniform’distribution via molecular self-assembly,which showed better corrosion performance than those with having dissimilar donor atoms with the inhibition efficiency(η)of 97%*** formation mechanism underlying nucleation and growth behavior of MB molecule was discussed concerning the theoretical calculation of density functional theory.

关键词： Nature-inspired composite Organic-inorganic interaction Corrosion inhibitor Density functional theory Electrochemistry

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Cognition on oxidation behavior of Ni-based superalloy GH4742 when exposed to water vapor

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Journal of Materials Science & Technology 2024年第7期174卷 15-22页

作者： H.Xu S.f.yang E.H.Wang C.y.Guo y.S.Liu X.M.Hou y.L.Zhang State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Institute for Carbon Neutrality University of Science and Technology BeijingBeijing 100083China

The oxidation behavior of Ni-based superalloy GH4742 exposed to water vapor was investigated at 900-1100℃for 50 h in Ar+20%H_(2)O,with Ar+20%O_(2)included for *** presence of H_(2)O is adverse to formation of continuous Cr_(2)O_(3)oxide layer but contributes to generation of big *** on this,Ni^(2+)and Co^(2+)are more easily to diffuse towards the outermost oxide layer(OOL),forming non-protective Ni-and Co-rich oxides with high *** leads to a higher weight gain in Ar+20%H_(2)O than that in Ar+20%O_(2).At elevated temperatures,the spallation of oxide scale occurs while the consumption of Cr is reduced in Ar+20%H_(2)O,and the contents of Ni-and Co-rich oxides at this moment are reduced in the *** oxidation mechanism was also discussed.

关键词： GH4742 Superalloy H_(2)O Diffusion Oxidation Mechanism

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基于术前MRI的卷积神经网络模型预测骨巨细胞瘤刮除术后局部复发的可能性

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国际医学放射学杂志 2019年第6期 752-752页

作者： y.f.he J.P.Guo X.y.Ding P.M.A.van Ooijen y.P.Zhang A.Chen 朱逸峰 Radiology Department Shanghai General HospitalShanghai Jiao Tong University School of Medicine

摘要目的使用基于术前MR和临床特征的深度卷积神经网络(CNN)模型预测骨巨细胞瘤(GCTB)刮除术后局部复发的可能性。材料与方法收集56例经刮除术后组织病理

关键词：骨巨细胞瘤术后局部复发卷积神经网络模型预测 MRI

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Microstructure evolution and shape memory behaviors of Ni_(47)Ti_(44)Nb_(9)alloy subjected to multistep thermomechanical loading with different prestrain levels

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Journal of Materials Science & Technology 2024年第4期171卷 80-93页

作者： y.H.Zhang H.Li Z.W.yang X.Liu Q.f.Gu State Key Laboratory of Solidification Processing School of Materials Science and EngineeringNorthwestern Polytechnical UniversityXi’an 710072China Shaanxi Key Laboratory of High-Performance Precision forming Technology and Equipment Northwestern Polytechnical UniversityXi’an 710072China

Ni_(47)Ti_(44)Nb_(9)shape memory alloy(SMA)is a promising material in the aerospace field due to its wide transformation *** application of shape memory effect depends on multistep thermomechan-ical loading,viz.,low-temperature deformation and subsequent heating to ***-temperature deformation prestrain plays a pivotal role in shape memory properties tailoring of SMA ***,microstructure evolution and deformation mechanisms of Ni_(47)Ti_(44)Nb_(9)SMA subjected to vari-ous prestrain levels are still *** this end,microstructure evolution and shape memory behaviors of Ni_(47)Ti_(44)Nb_(9)alloy subjected to multistep thermomechanical loading with prestrain levels of 8%-16%at-28℃(M_(s)+30℃)were *** results demonstrate that the stress-strain curve of the specimen exhibits four distinct stages at a maximal prestrain of 16%.Whereas stageⅡand stageⅢend at prestrains of∼8%and∼12%,*** stageⅡ,the stress-induced martensitic transformation is accompanied by the dislocation slip of the NiTi matrix andβ-Nb *** stageⅢ,in addition to the higher density of dislocations and further growth of stress-induced martensite variants(SIMVs),(001)compound twins are introduced as a result of the(001)deformation twinning in stress-induced ***{20-1}martensite twins are gradually introduced in stageⅣ.Correspondingly,after subsequent unloading and heating,a higher density of{114}austenite twins form in the specimen with a larger prestrain of 16%.With increasing prestrain from 8%to 16%,the recoverable strainε_(re)^(T)upon heating increases first and then ***ε_(re)^(T)obtains a maximum of 7.03%at 10%prestrain and de-creases to 6.17%at 16%*** increase ofε_(re)^(T)can be attributed to the formation of new SIMVs,the further growth of existing SIMVs,and the recoverable(001)compound *** the decrease ofε_(re)^(T)is mainly associated with the irrecoverable strain by{20−1}martensite *** effe

关键词： Ni_(47)Ti_(44)Nb_(9)shape memory alloy Wide transformation hysteresis Thermomechanical loading Microstructure evolution Shape memory behaviors Stress-induced martensitic transformation Deformation twinning

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Lifetime-tunable circularly polarized luminescent system based on triplet-to-singlet förster resonance energy transfer

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Science China Chemistry 2024年第9期67卷 2918-2922页

作者： Zhenyi he Zizhao Huang Xiang Ma Key Laboratory for Advanced Materials and feringa Nobel Prize Scientist Joint Research Center Institute of Fine ChemicalsSchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

Circularly polarized luminescence(CPL)materials have received widespread attention due to their remarkable performance and broad ***,current CPL material research primarily focuses on tunable color,intensity,and *** CPL with adjustable lifetime remains a significant ***,a series of CPL polymeric materials with tunable lifetime were obtained by employing phosphorescent terephthalic acid and chiral organic small molecule R/S-BNAf(a luminescent binaphthol derivative)to copolymerize with acrylamide in different *** was verified that this performance results from the different energy transfer efficiency between luminophores with varying ratios of the monomers for *** strategy to realize CPL with tunable lifetime by modulating the energy transfer efficiency will provide a new perspective to broaden the applications of CPL materials.

关键词： circularly polarized luminescence tunable lifetime förster resonance energy transfer room temperature phosphorescence

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finite element analysis and experimental validation of polymer-metal contacts in block-on-ring configuration

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friction 2024年第3期12卷 554-568页

作者： K.y.Eayal AWWAD Khosro fALLAHNEZHAD B.f.yOUSIf Ahmad MOSTAfA Omar ALAJARMEH A.SHALWAN Xuesen ZENG Mechanical Engineering Department Faculty of EngineeringTafila Technical UniversityTafila 66110Jordan Medical Device Research Institute College of Science and EngineeringFlinders UniversitySouth Australia 5042Australia Centre for future Materials University of Southern QueenslandToowoomba 4350Australia Department of Manufacturing Engineering Technology Public Authority for Applied Education and TrainingKuwait 13092Kuwait

The wear profile analysis,obtained by different tribometers,is essential to characterise the wear ***,most of the available methods did not take the stress distribution over the wear profile in consideration,which causes inaccurate *** this study,the wear profile of polymer–metal contact,obtained by block-on-ring configuration under dry sliding conditions,was analysed using finite element modelling(fEM)and experimental ***’s wear equation was integrated into a developed fORTRAN-UMESHMOTION code linked with Abaqus software.A varying wear coefficient(k)values covering both running-in and steady state regions,and a range of applied loads involving both mild and severe wear regions were measured and implemented in the *** fEM was in good agreement with the *** model reproduced the stress distribution profiles under variable testing conditions,while their values were affected by the sliding direction and maximum wear depth(hmax).The largest area of the wear profile,exposed to the average contact stresses,is defined as the normal *** the critical zones were characterized by high stress concentrations reaching up to 10 times of that at the normal *** wear profile was mapped to identify the critical zone where the stress concentration is the key point in this *** surface features were examined in different regions using scanning electron microscope(SEM).Ultimately,SEM analysis showed severer damage features in the critical zone than that in the normal zone as proven by ***,the literature data presented and considered the wear features the same at any point of the wear *** this study,the normal zone was determined at a stress value of about 0.5 MPa,whereas the critical zone was at about 5.5 *** wear behaviour of these two zones showed totally different features from one another.

关键词： polymer-to-metal contact block-on-ring wear profile wear model

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Copper-mediated assembly of SO_(2)f group via radical fluorine-atom transfer strategy

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Chinese Chemical Letters 2024年第9期35卷 4-5页

作者： yu-yu Tan Lin-heng he Wei-Min he School of Electrical Engineering University of South ChinaHengyang 421001China

Because of the unique reactivity of sulfonyl fluoride(SO_(2)f)group,such compound has found increasing applications in the areas of organic synthesis,new drug development,pesticide,material science and click chemistry,*** is of current interest to develop novel strategies and methods for the facile preparation of sulfonyl fluorides in a green and highly efficient manner[1,2].Although the traditional approach for the synthesis of sulfonyl fluorides relies on the nucleophilic substitution of fluoride atom with sulfonyl chlorides.

关键词： fluoride synthesis fluorine

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Modelling the unexpected dynamics of COVID-19 in Manaus,Brazil

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Infectious Disease Modelling 2024年第2期9卷 557-568页

作者： Daihai he yael Artzy-Randrup Salihu S.Musa Tiago Gräf felipe Naveca Lewi Stone Department of Applied Mathematics Hong Kong Polytechnic UniversityHong Kong SARChina Department of Theoretical and Computational Ecology IBEDUniversity of AmsterdamAmsterdamNetherlands Department of Genomics and Computational Biology University of Massachusetts Chan Medical SchoolWorcesterMA01605USA Department of Mathematics Aliko Dangote University of Science and TechnologyKanoNigeria Instituto Gonçalo Moniz FiocruzSalvadorBahiaBrazil Instituto Leônidas e Maria Deane FiocruzManausBrazil Mathematical Sciences School of ScienceRMIT UniversityMelbourneAustralia Biomathematics Unit School of ZoologyFaculty of Life SciencesTel Aviv UniversityTel AvivIsrael

In late March 2020,SARS-CoV-2 arrived in Manaus,Brazil,and rapidly developed into a large-scale epidemic that collapsed the local health system and resulted in extreme death *** key studies reported that∼76%of residents of Manaus were infected(attack rate AR≃76%)by October 2020,suggesting protective herd immunity had been *** this,an unexpected second wave of COVID-19 struck again in November and proved to be larger than the first,creating a catastrophe for the unprepared *** has been suggested that this could be possible if the second wave was driven by ***,it is widely reported that reinfections were at a low rate(before the emergence of Omicron),and reinfections tend to be ***,we use novel methods to model the epidemic from mortality data without considering reinfection-caused deaths and evaluate the impact of interventions to explain why the second wave *** method fits a“flexible”reproductive numberR_(0)(t)that changes over the epidemic,and it is demonstrated that the method can successfully reconstruct R_(0)(t)from simulated *** Manaus,the method finds AR≃34%by October 2020 for the first wave,which is far less than required for herd immunity yet in-line with seroprevalence *** work is complemented by a two-strain *** genomic data,the model estimates transmissibility of the new P.1 virus lineage as 1.9 times higher than that of the ***,an age class model variant that considers the high mortality rates of older adults show very similar *** models thus provide a reasonable explanation for the two-wave dynamics in Manaus without the need to rely on large reinfection rates,which until now have only been found in negligible to moderate numbers in recent surveillance efforts.

关键词： Modelling COVID-19 Reproduction number herd immunity Reinfection

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