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Designing metallic glasses with optimal combinations of glass-forming ability and mechanical properties

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Journal of Materials Science & technology 2021年第8期67卷 254-264页

作者： S.J.Wu Z.Q.Liu R.t.qu Z.F.Zhang Laboratory of Fatigue and Fracture for Materials Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and Engineering University of Science and Technology of ChinaHefei 230026China

It is a long-standing challenge to search for metallic glasses(MGs)with optimal combinations of glassforming ability(GFA),strength and toughness in the vast compositional *** taking into account both recently developed ellipse criterion and temperature-based GFA criterion,here we established quantitative correlations among compositions,elastic constants,GFA and mechanical properties of MGs,which enable to predict the GFA,fracture strength and fracture surface simultaneously in advance once the compositions of MGs are *** data confirm the validity of this approach in ***,a strategy for designing MGs with optimal combinations of strength,toughness and GFA is proposed,which allows for high-throughput discovering glass formers with excellent mechanical properties.

关键词： Metallic glass Composition Elastic constant Mechanical property Glass-forming ability

Intrinsic Strength Asymmetry Between tension and Compression of Perfect Face-Centered-Cubic Crystals

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Acta Metallurgica Sinica(English Letters) 2016年第8期29卷 755-762页

作者： R.F.Wang J.Xu R.t.qu Z.Q.Liu Z.F.Zhang Shenyang National Laboratory for Materials Science Institute of Metal ResearchChinese Academy of Sciences

the strength asymmetry between tension and compression is a typical case of mechanical response of *** we achieve the intrinsic strength asymmetry of six face-centered-cubic perfect crystals（Cu,Au,Ni,Pt,Al and Ir）through calculating the ideal tensile and compressive strength with considering the normal stress effect and the competition between different crystallographic *** results show that both the intrinsic factors（the ideal shear strength and cleavage strength of low-index planes）and the orientation could affect the strength asymmetry,which may provide insights into understanding the strength of ultra-strong materials.

关键词： Perfect crystal Strength asymmetry tension Compression

Multi-layer perceptron-based data-driven multiscale modelling of granular materials with a novel Frobenius norm-based internal variable

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2198-2218页

作者： Mengqi Wang Y.t.Feng Shaoheng Guan tongming qu Zienkiewicz Centre for Computational Engineering Faculty of Science and EngineeringSwansea UniversitySwanseaWalesSA18EPUK Institute of theoretical and Computational Physics Graz University of TechnologyGraz8010Austria Department of Civil and Environmental Engineering Hong Kong University of Science and TechnologyClearwater BayKowloonHong KongChina

One objective of developing machine learning(ML)-based material models is to integrate them with well-established numerical methods to solve boundary value problems(BVPs).In the family of ML models,recurrent neural networks(RNNs)have been extensively applied to capture history-dependent constitutive responses of granular materials,but these multiple-step-based neural networks are neither sufficiently efficient nor aligned with the standard finite element method(FEM).Single-step-based neural networks like the multi-layer perceptron(MLP)are an alternative to bypass the above issues but have to introduce some internal variables to encode complex loading *** this work,one novel Frobenius norm-based internal variable,together with the Fourier layer and residual architectureenhanced MLP model,is crafted to replicate the history-dependent constitutive features of representative volume element(RVE)for granular *** obtained ML models are then seamlessly embedded into the FEM to solve the BVP of a biaxial compression case and a rigid strip footing *** obtained solutions are comparable to results from the FEM-DEM multiscale modelling but achieve significantly improved *** results demonstrate the applicability of the proposed internal variable in enabling MLP to capture highly nonlinear constitutive responses of granular materials.

关键词： Granular materials History-dependence Multi-layer perceptron(MLP) Discrete element method FEM-DEM Machine learning

An MPI parallel DEM-IMB-LBM framework for simulating fluid-solid interaction problems

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第6期16卷 2219-2231页

作者： Ming Xia Liuhong Deng Fengqiang Gong tongming qu Y.t.Feng Jin Yu Hunan Key Laboratory of Geomechanics and Engineering Safety Xiangtan UniversityXiangtan411105China School of Civil Engineering Southeast UniversityNanjing211189China Department of Civil and Environmental Engineering Hong Kong University of Science and TechnologyHong KongChina Zienkiewicz Centre for Computational Engineering Swansea UniversitySwanseaSA18ENUK Fujian Research Center for tunneling and Urban Underground Space Engineering Huaqiao UniversityXiamen361021China

the high-resolution DEM-IMB-LBM model can accurately describe pore-scale fluid-solid interactions,but its potential for use in geotechnical engineering analysis has not been fully unleashed due to its prohibitive computational *** overcome this limitation,a message passing interface(MPI)parallel DEM-IMB-LBM framework is proposed aimed at enhancing computation *** framework utilises a static domain decomposition scheme,with the entire computation domain being decomposed into multiple subdomains according to predefined processors.A detailed parallel strategy is employed for both contact detection and hydrodynamic force *** particular,a particle ID re-numbering scheme is proposed to handle particle transitions across sub-domain *** benchmarks are conducted to validate the accuracy and overall performance of the proposed ***,the framework is applied to simulate scenarios involving multi-particle sedimentation and submarine *** numerical examples effectively demonstrate the robustness and applicability of the MPI parallel DEM-IMB-LBM framework.

关键词： Discrete element method(DEM) Lattice Boltzmann method(LBM) Immersed moving boundary(IMB) Multi-cores parallelization Message passing interface(MPI) CPU Submarine landslides

Relative frequency and survival of primary cutaneous lymphomas： a retrospective analysis of 98 patients

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Chinese Medical Journal 2014年第4期127卷 645-650页

作者： Liu J Liu YH Jin HZ Ma DL qu t Wang t S un QN Yu X Department of Dermatology Peking Union Medical College Hospital Chinese Academy of Medical Sciences Beijing 100730 China Department of Cardiology Fuwai Hospital of Cardiovascular Disease Chinese Academy of Medical Sciences Beijing 100037China

Background the World Health Organization and European Organization for Research and treatment of Cancer （WHOEORtC） classification in 2005 promoted the comparisons of primary cutaneous lymphoma （PCL） subtypes between different *** relative frequency of PCL varied according to *** study aimed to analyze the relative frequency and survival of PCLs in China and to compare the data with the published results from other *** We analyzed 98 patients with PCLs over a 6-year period and reclassified them according to the most recent WHO-EORtC classification （2005）.Disease-specific survival rate and curves according to specific subtypes such as mycosis fungoides,lymphomatoid papulosis,and primary cutaneous peripheral t-cell lymphoma,unspecified was also *** the relative rate of PCL in China was distinct from those in Western *** study showed a higher frequency of cutaneous t-and NK-cell lymphomas （CtCLs）（94%）,and a lower frequency of cutaneous B-cell lymphomas （CBCLs）（6%）.the 5-year survival rate of the total PCLs was 82%.there was no significant difference in the 5-year survival rate （P 〉0.05 by Log-rank test） between CtCL （80%） and CBCL （100%）.Conclusions the higher percentage of CtCL in China may provide a clue to further study the etiological factors of *** variations in factors such as HLA determinants may play a role in the development of CtCL.

关键词： primary cutaneous lymphomas mycosis fungoides frequency survival rate WHO-EORtC classification

Enhanced degradation of refractory organics in ORR-EO system with a blue tiO_(2)nanotube array modified ti-based Ni-Sb co-doped SnO_(2)anode

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Chinese Chemical Letters 2024年第8期35卷 391-395页

作者： Yifen He Chao qu Na Ren Dawei Liang Department of Materials Chemistry School of Materials Science&EngineeringBeihang UniversityBeijing 102206China Department of Environmental Science Faculty of Environment&LifeBeijing University of TechnologyBeijing 100124China

Recently,a novel 2-electron oxygen reduction reaction(ORR)based electro-oxidation(EO)system was developed,which utilizes a H_(2)O_(2)generation cathode instead of H_(2)evolution cathode.A ti-based Ni-Sb co-doped SnO_(2)(ti/NAtO)anode was selected for efficient degradation of refractory organics and O_(3)*** synergistic reaction of O3/H_(2)O_(2)further accelerated the generation of hydroxyl radicals(·OH)in the ORR-EO ***,the catalytic activity and long-term effectiveness of the ti/NAtO anode limited the large-scale application of the ORR-EO *** this study,a blue tiO_(2)nanotube array(blue-tiO_(2)-NtA)inter-layer was introduced into the fabrication process between the ti substrate and NAtO catalyst *** to the ti/NAtO anode,the ti/blue-tiO_(2)-NtA/NAtO anode achieved higher efficiency of organic removal and O_(3)***,the accelerated lifetime of the ti/blue-tiO_(2)-NtA/NAtO anode was increased by 7 times compared to the ti/NAtO *** combined with CNts-C/PtFE air cathode in ORR-EO system,all anodic oxidation and O_(3)/H_(2)O_(2)processes achieved higher•OH *** 92%of tOC in leachate bio-effluent was effectively eliminated with a relatively low energy cost of 45 kWh/t.

关键词： Electro-oxidation Blue tiO_(2)nanotube array O_(3)/H_(2)O_(2)process Refractory organics Leachate bio-effluent

the dual-action mechanism of Arabidopsis cryptochromes

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Journal of Integrative Plant Biology 2024年第5期66卷 883-896页

作者： Gao-Ping qu Bochen Jiang Chentao Lin Basic Forestry and Plant Proteomics Research Center Fujian Agriculture and Forestry UniversityFuzhou 350002China Department of Chemistry Department of Biochemistry and Molecular BiologyInstitute for Biophysical DynamicsThe University of ChicagoChicagoIL 60637USA

Photoreceptor cryptochromes (CRYs) mediate blue-light regulation of plant growth and development. It has been reported that Arabidopsis CRY1and CRY2 function by physically interacting with at least 84 proteins, including transcription factors or co-factors, chromatin regulators, splicing factors, messenger RNA methyltransferases, DNA repair proteins, E3 ubiquitin ligases, protein kinases and so on. Of these 84 proteins, 47 have been reported to exhibit altered binding affinity to CRYs in response to blue light, and 41 have been shown to exhibit condensation to CRY photobodies. the blue light-regulated composition or condensation of CRY complexes results in changes of gene expression and developmental programs. In this mini-review, we analyzed recent studies of the photoregulatory mechanisms of Arabidopsis CRY complexes and proposed the dual mechanisms of action, including the “Lock-and-Key” and the “Liquid-Liquid Phase Separation (LLPS)” mechanisms. the dual CRY action mechanisms explain, at least partially, the structural diversity of CRY-interacting proteins and the functional diversity of the CRY photoreceptors.

关键词： Arabidopsis blue light cryptochrome CRY1 CRY2 phaseseparation

Nickel-Catalyzed Regiodivergent Acylzincation of Styrenes with Organozincs and CO

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Chinese Journal of Chemistry 2024年第6期42卷 599-604页

作者： Chenglong Wang Ning Liu Xianqing Wu Jingping qu Yifeng Chen Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research CenterFrontiers Science Center for Materiobiology and Dynamic ChemistrySchool of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai200237 China Dedicated to the Special Issue of C1 Chemistry.

transition metal-catalyzed carbometallation of unsaturated hydrocarbons constitutes one of the most efficient synthetic methodologies for the construction of C—C ***,the incorporation of organometallic reagent with the CO gas as a nucleophilic acyl synthon could enable the acylmetallation reaction,which greatly increases the horizon of carbometallation ***,we report a nickel-catalyzed regiodivergent acylzincation of o-cyano cinnamate ester and o-cyano styrene,in which the cyano moiety intramolecularly captures zinc intermediates to trigger the tandem cyclization *** protocol features mild conditions,broad substrate scope and excellent functional group tolerance,thus affording a diverse array of highly functionalized carbocyclic compounds.

关键词： Carbonylation Carbometallation Styrene Nickel Cyclization

Constraints Separation Based Evolutionary Multitasking for Constrained Multi-Objective Optimization Problems

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IEEE/CAA Journal of Automatica Sinica 2024年第8期11卷 1819-1835页

作者： Kangjia Qiao Jing Liang Kunjie Yu Xuanxuan Ban Caitong Yue Boyang qu Ponnuthurai Nagaratnam Suganthan School of Electrical and Information Engineering Zhengzhou UniversityZhengzhou 450001China School of Electrical Engineering and Automation Henan Institute of TechnologyXinxiang 453003China School of Electronic and Information Zhongyuan University of TechnologyZhengzhou 450007China KINDI Center for Computing Research College of EngineeringQatar UniversityDoha 999043Qatar

Constrained multi-objective optimization problems(CMOPs)generally contain multiple constraints,which not only form multiple discrete feasible regions but also reduce the size of optimal feasible regions,thus they propose serious challenges for *** all constraints,some constraints are highly correlated with optimal feasible regions;thus they can provide effective help to find feasible Pareto ***,most of the existing constrained multi-objective evolutionary algorithms tackle constraints by regarding all constraints as a whole or directly ignoring all constraints,and do not consider judging the relations among constraints and do not utilize the information from promising single ***,this paper attempts to identify promising single constraints and utilize them to help solve *** be specific,a CMOP is transformed into a multitasking optimization problem,where multiple auxiliary tasks are created to search for the Pareto fronts that only consider a single constraint ***,an auxiliary task priority method is designed to identify and retain some high-related auxiliary tasks according to the information of relative positions and dominance ***,an improved tentative method is designed to find and transfer useful knowledge among *** results on three benchmark test suites and 11 realworld problems with different numbers of constraints show better or competitive performance of the proposed method when compared with eight state-of-the-art peer methods.

关键词： Constrained multi-objective optimization(CMOPs) evolutionary multitasking knowledge transfer single constraint.