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Preparation and Characterization of Calcium Carboaluminate via One-step Method
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作者 YU Haiyan DING Tianhui +2 位作者 WANG Jiazhen WANG Yingxiang WANG Tianlei 《Journal of Wuhan University of Technology(Materials Science)》 2026年第1期210-216,共7页
Calcium carboaluminate was successfully prepared by a simple and efficient one-step method,and the effects of temperature,time,raw material ratio,carbonate type and heavy CaCO_(3)particle size on the products were inv... Calcium carboaluminate was successfully prepared by a simple and efficient one-step method,and the effects of temperature,time,raw material ratio,carbonate type and heavy CaCO_(3)particle size on the products were investigated in detail.The results show that increasing the temperature and extending the reaction time can enhance the yield and crystallisation degree of calcium carboaluminate.The proportion of Ca(OH)_(2),Al(OH)_(3)and CaCO_(3)is a pivotal factor in the synthesis of calcium carboaluminate.When the ratio of Ca(OH)_(2),Al(OH)_(3)and CaCO_(3)is 3:2:1,the diffraction peaks of calcium carboaluminate in the products are relatively sharp and strong.Furthermore,the purity and crystallinity of the synthesized calcium carboaluminate are higher when heavy CaCO_(3)with the particle size of 120 mesh is used as the carbonate raw material,in comparison to CO_(2),Na_(2)CO_(3)and light CaCO_(3).As results,a simple and efficient method for the synthesis of calcium carboaluminate is proposed,which will provide a solid experimental foundation and technical support for the industrial application of calcium carboaluminate in marine concrete. 展开更多
关键词 calcium carboaluminate heavy CaCO_(3) one-step process process parameters
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Hollow cerium nanoparticles synthesized by one-step method for multienzyme activity to reduce colitis in mice
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作者 Lin Mi Kai Zhang +3 位作者 Jian-Xia Ma Jian-Feng Yao Yi-Li Tong Zhi-Jun Bao 《World Journal of Gastroenterology》 2025年第5期94-104,共11页
BACKGROUND Inflammatory bowel disease(IBD)is a common chronic intestinal inflammatory disease.High oxidative stress is a treatment target for IBD.Cerium oxide(CeO2)nanomaterials as nanozymes with antioxidant activity ... BACKGROUND Inflammatory bowel disease(IBD)is a common chronic intestinal inflammatory disease.High oxidative stress is a treatment target for IBD.Cerium oxide(CeO2)nanomaterials as nanozymes with antioxidant activity are potential drugs for the treatment of colitis.AIM To synthesize hollow cerium(H-CeO2)nanoparticles by one-step method and to validate the therapeutic efficacy of H-CeO2 in IBD.METHODS H-CeO2 was synthesized by one-step method and examined its characterization and nanoenzymatic activity.Subsequently,we constructed dextran sulfate so-dium(DSS)-induced colitis in mice to observe the effects of H-CeO2 on colonic inflammation.The effects of H-CeO2 on colon inflammation and reactive oxygen species(ROS)levels in IBD mice were detected by hematoxylin and eosin staining and dichlorofluorescein diacetate staining,respectively.Finally,the biological sa-fety of H-CeO2 on mice was evaluated by hematoxylin and eosin staining,blood routine,and blood biochemistry.RESULTS H-CeO2 nanoparticles prepared by the one-step method were uniform,monodi-sperse and hollow.H-CeO2 had a good ability to scavenge ROS,∙OH and∙OOH.H-CeO2 reduced DSS-induced decreases in body weight and colon length,colonic epithelial damage,inflammatory infiltration,and ROS accumulation.H-CeO2 administration reduced the disease activity index of DSS-induced animals from about 8 to 5.H-CeO2 had no significant effect on body weight,total platelet count,hemoglobin,white blood cell,and red blood cell counts in healthy mice.No significant damage to major organs was observed in healthy mice following H-CeO2 administration.CONCLUSION The one-step synthesis of H-CeO2 nanomaterials had good antioxidant activity,biosafety,and inhibited deve-lopment of DSS-induced IBD in mice by scavenging ROS. 展开更多
关键词 Inflammatory bowel disease Nanozymes Hollow cerium nanoparticles one-step method Cerium oxide biosafety
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A LOW-PRESSURE AND ONE-STEP METHOD FOR THE SYNTHESIS OF ALKYLIDYNETRICOBALT NONACARBONYL CLUSTERS:RCCo_8(CO)_9
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作者 Cheng Guo JIA Yun Pu WANG Han Yu FENG 《Chinese Chemical Letters》 SCIE CAS CSCD 1993年第2期121-122,共2页
Metal clusters RCCo_3(CO)_9(R-H,C1,Br,CH_3,Ph) were prepared in 18.8-57.3% yields from the reaction of cobalt(Ⅱ)salt and RCX_a under mild PTC conditions(latm CO,25℃).The cobalt salt was reduced to Co(CO)_4 in the pr... Metal clusters RCCo_3(CO)_9(R-H,C1,Br,CH_3,Ph) were prepared in 18.8-57.3% yields from the reaction of cobalt(Ⅱ)salt and RCX_a under mild PTC conditions(latm CO,25℃).The cobalt salt was reduced to Co(CO)_4 in the presence of Na_3S_2O_4. 展开更多
关键词 CO CO A LOW-PRESSURE AND one-step method FOR THE SYNTHESIS OF ALKYLIDYNETRICOBALT NONACARBONYL CLUSTERS STEP WANG
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Strong Converge Order of the General One-Step Method for Neutral Stochastic Delay Differential Equations under a Global Monotone Condition
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作者 Chao Yue Haoyong Zhuang Longbin Zhao 《Advances in Applied Mathematics and Mechanics》 2025年第6期1654-1681,共28页
We study the strong convergence of the general one-step method for neutral stochastic delay differential equations with a variable delay.First,we give the notions of C-stability and B-consistency,and then establish a ... We study the strong convergence of the general one-step method for neutral stochastic delay differential equations with a variable delay.First,we give the notions of C-stability and B-consistency,and then establish a fundamental theorem of strong convergence for the general one-step method solving the nonlinear neutral stochastic delay differential equations,where the corresponding diffusion coefficient with respect to the non-delay variables is highly nonlinear.Then,we construct the split-step backward Euler method which is a special implicit one-step method,and prove that it is C-stable,B-consistent,and strongly convergent of order 1/2.Finally,we give some numerical experiments to support the obtained results. 展开更多
关键词 Strong convergence general one-step method C-stability B-consistency neutral stochastic delay differential equations
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One-step synthesis of trimetallic PdCuNi porous nanoflowers for enhanced alcohol oxidation
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作者 Xinyu Gu Jun Yu +3 位作者 Huiyu Sun Nannan Zhang Zhengying Wu Yukou Du 《Chinese Chemical Letters》 2026年第1期683-688,共6页
The three-dimensional(3D) Pd-based nanoflower structures,assembled from two-dimensional(2D)nanosheets,are characterized by their stable and ordered configurations.These structures have been extensively designed as ano... The three-dimensional(3D) Pd-based nanoflower structures,assembled from two-dimensional(2D)nanosheets,are characterized by their stable and ordered configurations.These structures have been extensively designed as anode materials for fuel cells.However,the exploration of trimetallic nanoflowers with porous architectures remains limited.In this study,we present a straightforward one-step solvothermal method for the synthesis of trimetallic Pd Cu Ni porous nanoflowers(PNFs).Leveraging several unique advantages,such as an open superstructure,high porosity,and enhanced electronic interactions among the trimetals,the resulting Pd Cu Ni PNFs demonstrate significantly improved electrochemical performance,with mass activities reaching 5.94 and 10.14 A/mg for the ethanol oxidation reaction(EOR)and the ethylene glycol oxidation reaction(EGOR),respectively.Furthermore,the Pd Cu Ni PNFs exhibit optimized d-band centers and the most negative onset oxidation potential,indicating enhanced antitoxicity and stability.This study not only provides a novel perspective on the synthesis of 3D porous nanomaterials but also highlights the potential application value of trimetallic nanoalloys in catalysis. 展开更多
关键词 PdCuNi Porous structures Ethanol and ethylene glycol oxidation Trimetallic nanoalloy one-step method
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Effect of precursor components on the photovoltaic performance of MA_(1-x)FA_(x)PbI_(3-y)Br_(y) films prepared via a one-step method
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作者 Chuan Lung Chuang Chia-Yuan Chen +1 位作者 Chien-Hung Chiang Chun-Guey Wu 《Inorganic Chemistry Frontiers》 2017年第5期850-859,共10页
Organic-inorganic lead halide perovskites represent a group of materials with diverse structures and promising optical/optoelectronic properties.The performance of perovskite based solar cells relies tremendously on t... Organic-inorganic lead halide perovskites represent a group of materials with diverse structures and promising optical/optoelectronic properties.The performance of perovskite based solar cells relies tremendously on the structure/properties of the absorber.The physicochemical properties of the perovskite active layer depend on the substrate,preparation methods,environments and the starting materials.In this study,we investigated the effects of starting materials in the precursor solution on the physicochemical properties of the resulting one-step spin coated MA_(0.8)FA_(0.2)PbI_(3-y)Br_(y) film and the photovoltaic performance of the corresponding inverted(p-i-n)perovskite solar cells.Two precursor solutions containing exactly the same atom stoichiometry were prepared from two different groups of starting materials(Group A:CH_(3)NH_(3)I,CH(NH_(2))_(2)I,CH_(3)NH_(3)Br,and PbI_(2);Group B:CH_(3)NH_(3)I,CH(NH_(2))_(2)I,PbI_(2) and PbBr_(2)).The MA_(0.8)FA_(0.2)PbI_(3-y)Br_(y) films(A1 and A2)prepared from the A precursor solution had better photovoltaic performances compared to those(B1 and B2)obtained from the B precursor solution for the same y values.The stoichiometry of the film to achieve the best photovoltaic performance(the corresponding cell has the highest efficiency)is not the same for the A-group(prepared from the A precursor solution)and B-group films(prepared from the B precursor solution).The photovoltaic performance of the perovskite film is directly correlated to the crystallinity,morphology and defect sites of the film as evidenced by GIXRD,scanning electron microscopy(SEM)and transient photoluminescence(TRPL)data.The morphology of the mixed-halide perovskite films depends on the homogeneity of the halide stoichiometries.The A-group films with more possible halide stoichiometries have better crystallinity and continuity compared to those of the B-group films,probably due to the difference in the crystallization rates for the two group perovskite films.Therefore,for preparing mixed-halide perovskites with the same average halide stoichiometry,starting materials that can produce perovskite films with more halide stoichiometries are a better choice. 展开更多
关键词 crystallinity physicochemical properties starting materials one step method photovoltaic performance organic inorganic lead halide perovskites precursor solution precursor components
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Optimizing processing parameters for fabricating Ni/SiO2 coatings with enhanced superhydrophobicity and corrosion resistance via a one-step electrodeposition method
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作者 Yang Ni Hua-wei Yin +4 位作者 Yin-qiu Luo Xin-yue Li Hao Tan Ting-zhen Li Chuan-bo Hu 《Journal of Iron and Steel Research International》 2025年第5期1263-1274,共12页
Building a superhydrophobic coating on a carbon steel substrate is an effective strategy for enhancing metal protection.A practical approach to producing a series of superhydrophobic Ni/SiO_(2)composite coatings(SSN)u... Building a superhydrophobic coating on a carbon steel substrate is an effective strategy for enhancing metal protection.A practical approach to producing a series of superhydrophobic Ni/SiO_(2)composite coatings(SSN)using one-step electrodeposition method is shown.The effect of processing parameters on surface structure and wettability was thoroughly explored,resulting in the identification of three typical surface morphologies.The prepared coating with petal-like structure(SSN-3)obtained under the optimum parameters exhibited the best water repellency,achieving a contact angle of 162.7°and a sliding angle of 4.1°.The droplet bouncing behavior on SSN coatings surface was studied,and the delayed icing time was recorded.Meanwhile,the mechanical stability and chemical corrosion resistance of SSN coatings were focused.The superhydrophobic SSN-3 coating with unique surface structure exhibited excellent reliability.The anticorrosion mechanism of SSN-3 coating was discussed,and its corrosion protection efficiency was up to 98.5%.The superior properties of the superhydrophobic SSN-3 coating make it suitable for diverse applications. 展开更多
关键词 Superhydrophobic coating Ni/SiO_(2) one-step electrodeposition Mechanical stability ANTICORROSION
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Dynamics of Nonlinear Rossby Waves With the Derivative-Expansion Method
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作者 TIAN Hongxiao ZHANG Ruigang LIU Quansheng 《应用数学和力学》 北大核心 2026年第3期313-328,共16页
Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,... Nonlinear Rossby waves are used to describe typical wave phenomena in large-scale atmosphere andocean.Owing to the nonlinearity of the involved problems,the weakly nonlinear method,ie the derivative ex-pansion method,was mainly used to investigate Rossby waves under the combined effects of the generalizedβ-effect and the basic flow effect.The derivative expansion method has the advantage of capturing the multi-scalecharacteristics of wave processes simultaneously.In the case where the perturbation expansion is independentof secular terms,the nonlinear equations describing the amplitude evolution of nonlinear waves were derived,such as the Korteweg-de Vries equation,the Boussinesq equation and Zakharov-Kuznetsov equation.Both quali-tative and quantitative analyses indicate that the generalizedβ-effect is the key factor inducing the evolution ofRossby solitary waves. 展开更多
关键词 planetary Rossby waves generalized beta effect derivative-expansion method nonlinear equation
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Influence of SiC Content on Foaming Stability,Cell Structure,and Compression Performance of SiC/Al-Based Composite Foam Prepared by Two-Step Foaming Method
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作者 Huang Wenzhan Liu Tao +3 位作者 Chen Yao Wang Lucai Wu Jianguo You Xiaohong 《稀有金属材料与工程》 北大核心 2026年第4期890-898,共9页
SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminu... SiC/Al-based composite foams were prepared by a two-step foaming method.The influence of the SiC content and its distribution uniformity on the foaming stability,cell structure,and mechanical properties of the aluminum foams was investigated.The macro/micro-features of the aluminum foams were characterized and analyzed.Results demonstrate that an appropriate increase in SiC content and the uniform distribution of SiC can improve the foaming stability,optimize the cell diameter and cell wall thickness,ameliorate the cell distribution,and enhance the hardness and compressive strength of the aluminum foams.However,either insufficient or excessive SiC leads to uneven distribution of SiC particles,which is unfavorable to foaming stability and good cell structure formation.With 6wt%SiC,both the foaming stability and cell structure of the aluminum foam reach the optimal state,resulting in the highest compressive strength and optimal energy absorption capacity. 展开更多
关键词 aluminum foam two-step foaming method foaming stability cell structure HARDNESS compressive strength
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A New Inversion-free Iterative Method for Solving the Nonlinear Matrix Equation and Its Application in Optimal Control
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作者 GAO Xiangyu XIE Weiwei ZHANG Lina 《应用数学》 北大核心 2026年第1期143-150,共8页
In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to ... In this paper,we consider the maximal positive definite solution of the nonlinear matrix equation.By using the idea of Algorithm 2.1 in ZHANG(2013),a new inversion-free method with a stepsize parameter is proposed to obtain the maximal positive definite solution of nonlinear matrix equation X+A^(*)X|^(-α)A=Q with the case 0<α≤1.Based on this method,a new iterative algorithm is developed,and its convergence proof is given.Finally,two numerical examples are provided to show the effectiveness of the proposed method. 展开更多
关键词 Nonlinear matrix equation Maximal positive definite solution Inversion-free iterative method Optimal control
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Broadband ground motion simulation and analysis of a near-fault 3D basin-mountain coupling site based on the hybrid method
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作者 Liu Zhongxian Tang Kang +2 位作者 Li Chengcheng Yuan Xiaoming Zhang Hai 《Earthquake Engineering and Engineering Vibration》 2026年第1期87-110,共24页
This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SE... This study presents an effective hybrid simulation approach for simulating broadband ground motion in complex near-fault locations.The approach utilizes a deterministic approach based on the spectral element method(SEM),which is used to simulate low-frequency ground motion(f<1 Hz)by incorporating an innovative efficient discontinuous Galerkin(DG)method for grid division to accurately model basin sedimentary layers at reduced costs.It also introduces a comprehensive hybrid source model for high-frequency random scattering and a nonlinear analysis module for basin sedimentary layers.Deterministic outcomes are combined with modified three-dimensional stochastic finite fault method(3D-EXSIM)simulations of high-frequency ground motion(f>1 Hz).A fourth-order Butterworth filter with zero phase shift is employed for time-domain filtering of low-and high-frequency time series at a crossover frequency of 1 Hz,merging the low and high-frequency ground motions into a broadband time series.Taking an Ms 6.8 Luding earthquake,as an example,this hybrid method was used for a rapid and efficient simulation analysis of broadband ground motion in the region.The accuracy and efficiency of this hybrid method were verified through comparisons with actually observed station data and empirical attenuation curves.Deterministic method simulation results revealed the effects of mountainous topography,basin effects,nonlinear effects within the basin’s sedimentary layers,and a coupling interaction between the basin and the mountains.The findings are consistent with similar studies,showing that near-fault sedimentary basins significantly focus and amplify strong ground motion,and the soil’s nonlinear behavior in the basin influences ground motion to varying extents at different distances from the fault.The mountainous topography impacts the basin’s response to ground motion,leading to barrier effects.This research provides a scientific foundation for seismic zoning,urban planning,and seismic design in nearfault mountain basin regions. 展开更多
关键词 hybrid ground motion simulation method spectral element method three-dimensional stochastic finite fault method near-fault basin-mountain coupling effect basin effect nonlinear effect
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Study on the effect of preparation method on denitration performance of Co-modified Ce/TiO_(2) catalyst
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作者 YU Chao ZHANG Boya +2 位作者 SHEN Kai HAN Yuxuan ZHANG Yaping 《燃料化学学报(中英文)》 北大核心 2026年第3期79-91,共13页
This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s... This study systematically conducted preparation optimization and performance investigations on Co-modified Ce/TiO_(2) catalysts,with a focus on examining how preparation methods and Co loading regulate the catalyst’s low-temperature denitrification activity.After identifying optimal preparation parameters via condition screening,multiple characterization techniques-including BET,XRD,XPS,H_(2)-TPR and in situ DRIFTS-were employed to deeply analyze the catalyst’s physicochemical properties and reaction mechanism.Results demonstrated that compared to the impregnation and co-precipitation methods,the Ce-Co_(0.025)/TiO_(2)-SG catalyst(prepared by the sol-gel method with a Co/Ti mass ratio of 0.025)exhibited significantly superior denitrification activity:NO conversion remained stably above 95%in the 225−350℃ temperature range,and it displayed high N_(2) selectivity.Characterization analysis revealed that abundant surface oxygen vacancies,a high proportion of Ce^(3+) species,and prominent acidic sites collectively contributed to enhancing its low-temperature denitrification performance.This work provides reference value for the development of highly efficient low-temperature denitrification catalysts. 展开更多
关键词 preparation method Co Ce/TiO_(2) low-temperature denitration NH_(3)-SCR
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Establishment of a Determination Method for Fruit Texture in Chieh-qua Using Texture Analyzer
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作者 Ying WANG Xuan DU Na LIU 《Agricultural Biotechnology》 2026年第1期54-59,共6页
[Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and pun... [Objectives]This study was conducted to establish a quantitative assessment method for the textural quality of chieh-qua fruit.[Methods]Using two modes of a texture analyzer,namely TPA(texture profile analysis)and puncture,the index data of the fruit were obtained by setting different trigger forces,deformation levels,test speeds,as well as puncture speeds and puncture depths.The data included TPA hardness,adhesiveness,springiness,cohesiveness,gumminess,chewiness,resilience,as well as skin hardness,skin toughness,flesh hardness,fracturability,and compactness.[Results]Different deformation levels had a significant impact on all parameters.Hardness,adhesiveness,gumminess and chewiness showed a trend of first increasing and then decreasing with the deformation level increasing.When the deformation level was 30%,the adhesiveness,gumminess and chewiness reached their maximum values.When the deformation level was 50%,TPA hardness reached its maximum.When the compression speed was 3 mm/s,the measured values of TPA hardness,adhesiveness,chewiness,and resilience were at their maximums.The skin hardness varied significantly under different trigger forces.When the trigger force was 15 g,the skin hardness reached a maximum value of 944.63 g,and the skin toughness,flesh hardness,fracturability,and compactness also reach their maximum values respectively.When the puncture depth was 12 mm,the flesh hardness and skin toughness reached their maximums of 682.51 g and 1.82 mm,respectively.In the TPA mode,the flesh hardness of chieh-qua showed an extremely significant negative correlation with springiness,cohesiveness,and resilience(P<0.01).The fruit fracturability detected by puncture had an extremely significant positive correlation with compactness(P<0.01).[Conclusions]The evaluation method for measuring chieh-qua texture by combining TPA and the puncture mode could accurately and quantitatively reflect the differences in the flesh texture quality of chieh-qua.The optimal parameters for texture measurement of chieh-qua fruit were determined as a 15 g trigger force with 50%deformation and a 3 mm/s compression speed in TPA mode,and a 15 g trigger force with a 12 mm puncture depth in puncture mode.Puncture speed was found to have no significant effect on the texture indices of chieh-qua. 展开更多
关键词 CHIEH-QUA Texture analyzer Texture quality Determination method
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A novel scaling method for the elastic ring supporting structure of an aero-engine rotor system: analytical and experimental investigations
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作者 Lei LI Tianyue MA +4 位作者 Zhong LUO Dongwu GAO Xiangdong GE Hui MA Shibin WANG 《Applied Mathematics and Mechanics(English Edition)》 2026年第1期1-18,共18页
The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometr... The testing of large structures is limited by high costs and long cycles, making scaling methods an attractive solution. However, the scaling process of elastic rings introduces complexities in multi-parameter geometric distortions, leading to a diminution in the predictive accuracy of the distorted similitude. To address this challenge, this study formulates a novel set of scaling laws, tailored to account for the intricate geometric distortions associated with elastic rings. The proposed scaling laws are formulated based on the intrinsic deformation characteristics of elastic rings, rather than the traditional systemic governing equations. Numerical and experimental cases are conducted to assess the efficacy and precision of the proposed scaling laws, and the obtained results are compared with those achieved by traditional methods. The outcomes demonstrate that the scaling laws put forth by this study significantly enhance the predictive capabilities for deformations of elastic rings. 展开更多
关键词 rotor system AERO-ENGINE elastic ring scaling method supporting structure
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Multiphysics Implicit Coupling Method for Fluid,Particles,and Large-Deformation Structures
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作者 Xiangxiang Wang Hualong Xie +3 位作者 Yue Yu Min Li Yubin Wang Fei Xing 《Computer Modeling in Engineering & Sciences》 2026年第2期367-401,共35页
This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,Calcu... This study presents an implicit multiphysics coupling method integrating Computational Fluid Dynamics(CFD),the Multiphase Particle-in-Cell(MPPIC)model,and the Finite Element Method(FEM),implemented with OpenFOAM,CalculiX,and preCICE to simulate fluid-particle-structure interactions with large deformations.Mesh motion in the fluid field is handled using the radial basis function(RBF)method.The particle phase is modeled by MPPIC,where fluid-particle interaction is described through momentum exchange,and inter-particle collisions are characterized by collision stress.The structural field is solved by nonlinear FEM to capture large deformations induced by geometric nonlinearity.Coupling among fields is realized through a partitioned,parallel,and non-intrusive iterative strategy,ensuring stable transfer and convergence of interface forces and displacements.Notably,the influence of particles on the structure is not direct but mediated by the fluid,while structural motion directly affects particle dynamics.The results demonstrate that the proposed approach effectively captures multiphysics interaction processes and provides a valuable reference for numerical modeling of coupled fluid-particle-structure systems. 展开更多
关键词 Fluid-particle-structure interaction large deformation partitioned method non-intrusive coupling
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A Cost-Effective Approach to Precisely Estimate Singlet-Triplet Energy Gaps in MR-TADF Molecules:Combining Delta Self-Consistent Field and Time-Dependent Density Functional Theory Methods
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作者 Qian Jina Dong Wang 《Chinese Journal of Chemical Physics》 2026年第1期41-50,I0021-I0032,I0042,共23页
As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency... As a novel class of purely organic fluores-cent materials,multiple resonance thermal-ly activated delayed fluorescence(MR-TADF)compounds hold significant promise for next-generation display technologies.The efficiency of exciton utilization and the overall performance of organic light-emit-ting devices are closely linked to the singlet-triplet energy gap(ΔE_(ST))of MR-TADF emitters.Identifying an economic and accu-rate theoretical approach to predictΔE_(ST)would be beneficial for high-throughput screening and facilitate the inverse design of MR-TADF molecules.In this study,we evaluated the S_(1)state energy(E(S_(1))),T_(1)state ener-gy(E(T_(1))),andΔE_(ST)using three different physical interpretations:adiabatic excitation ener-gy,vertical absorption energy,and vertical emission energy.We employed the time-depen-dent density functional theory(TDDFT)and delta self-consistent field(ΔSCF)methods to calculate E(S_(1)),E(T_(1)),andΔE_(ST)for 20 MR-TADF molecules reported in the literature.We compared these calculated values with experimental data obtained from fluorescence spec-troscopy at room-temperature(or 77 K)and phosphorescence spectroscopy conducted at 77 K.Our findings indicate that the vertical absorption energy at the S0 state minimum,deter-mined by theΔSCF method,accurately predicts the S_(1)state energy.Similarly,the vertical absorption energy at the S0 state minimum,calculated using the TDDFT method,effectively predicts the T_(1)state energy.TheΔE_(ST)derived from the difference between these two excita-tion energies exhibited the smallest mean absolute error of only 0.039 eV compared to the ex-perimental values.This combination represents the most accurate and cost-effective method reported to date for predicting theΔE_(ST)of MR-TADF molecules,and can be integrated into AI-driven inverse design workflows for new emitters. 展开更多
关键词 Organic light-emitting diode Multiple resonance thermally activated delayed fluorescence emitter Single-triplet energy gap Delta self-consistent field method Time-de-pendent density functional theory method
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Synchronization Stability Analysis of Multi-VSC Grid-connected System via Multi-scale Method
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作者 Meng Huang Yangjian Ling +3 位作者 Han Yan Xikun Fu Xiaoming Zha Herbert Ho-Ching Iu 《CSEE Journal of Power and Energy Systems》 2026年第1期282-293,共12页
In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this pap... In a multiple voltage source converter(VSC)system,the nonlinear characteristics of phase-locked loops(PLLs)and their interactions have a significant influence on the synchronization stability of converters.In this paper,these influences are investigated from the perspective of the time domain.First,a novel time-domain model of the multi-VSC system is obtained by using a multi-scale method.On this basis,a stability criterion is proposed to assess the synchronization stability of the system.Then,the accuracy of the time-domain model and its stability criterion in various conditions are discussed.Moreover,the negative impact of the interaction on the system is quantified.Finally,the above theoretical analysis is also verified in the controller hardware-in-the-loop(CHIL)experiments. 展开更多
关键词 Multi-scale method multi-VSC phase-locked loops synchronization stability time-domain model
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Healthcare professionals’perspectives on disclosure of diagnosis and related issues in childhood cancer:A mixed methods systematic review
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作者 Run Xie Xiaoyan Huang +4 位作者 Yiran Du Ying Gu Qiongfang Kang Hongsheng Wang Daqian Zhu 《International Journal of Nursing Sciences》 2026年第1期96-104,I0006,共10页
Objectives This review aimed to systematically synthesize the available research on the disclosure of diagnosis and related issues in childhood cancer from the perspectives of healthcare professionals,with the goal of... Objectives This review aimed to systematically synthesize the available research on the disclosure of diagnosis and related issues in childhood cancer from the perspectives of healthcare professionals,with the goal of informing the optimization of disclosure processes and meeting the communication needs of affected families.Methods In accordance with the Joanna Briggs Institute(JBI)methodology for mixed methods systematic reviews,the convergent segregated approach was used in this review.Articles were retrieved from 11 databases,including PubMed,Web of Science,CINAHL,CENTRAL,Embase,Ovid/Medline,PsycINFO,PsycArticles,Scopus,ERIC,and China National Knowledge Infrastructure(CNKI).The quality of the selected articles was assessed using the Mixed Method Appraisal Tool(MMAT).The review protocol was registered on PROSPERO(CRD42024542746).Results A total of 21 studies from 10 countries were included.Their methodological quality was generally medium to high,with MMAT scores ranging from 60%to 100%.The synthesis yielded three core themes:1)the spectrum of professional and societal attitudes toward disclosure;2)the dynamic practices of navigating disclosure amid uncertainty,including timing and environment,stakeholders,and content of disclosure;and 3)factors influencing disclosure,including children’s,parental,healthcare professionals’,and socio-cultural factors.Conclusions This review synthesized the perspectives and experiences of healthcare professionals regarding disclosure in childhood cancer,highlighting the complexity and multidimensional nature of this process in clinical practice.Future research should further investigate the experiences and needs of children and their parents,explore cultural variations in disclosure practices,develop context-appropriate assessment tools,and construct multidimensional intervention strategies to enhance the humanistic care and professional effectiveness of the disclosure process. 展开更多
关键词 Communication CANCER DISCLOSURE Healthcare professionals Mixed methods PEDIATRIC Systematic review
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On the Use of the Nelder-Mead Simplex Method in Control Design and Systems Theory
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作者 Laura Menini Corrado Possieri Antonio Tornambe 《IEEE/CAA Journal of Automatica Sinica》 2026年第1期186-204,共19页
The Nelder-Mead simplex method is a well-known algorithm enabling the minimization of functions that are not available in closed-form and that need not be differentiable or convex.Furthermore,it is particularly parsim... The Nelder-Mead simplex method is a well-known algorithm enabling the minimization of functions that are not available in closed-form and that need not be differentiable or convex.Furthermore,it is particularly parsimonious on the number of function evaluations,thus making it preferable to convex optimization paradigms in the case,common when dealing with control design problems,that the objective function of the optimization problem is non-differentiable,non-convex,and its closed-form is not available or difficult to be computed analytically.The main goal of this paper is to show how the joint use of the Nelder-Mead simplex method and the Morrison algorithm can be successfully used to solve relevant and challenging control problems that cannot be easily solved using analytic methods.In particular,it is shown how the problems of strong stabilization,static output feedback stabilization,and design of robust controllers having fixed structure can be framed as optimization problems,which,in turn,can be efficiently solved by coupling the two above mentioned algorithms.The performance of this procedure is compared with state-of-the-art techniques on dozens of static output feedback benchmark case studies,and its effectiveness is demonstrated by several examples. 展开更多
关键词 Optimization method robust controller static output feedback strong stabilizability
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Investigation of equivalent strength parameters of soil-rock mixture using numerical manifold method
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作者 Junfeng Li Yongtao Yang +2 位作者 Yang Xia Hong Zheng Shuilin Wang 《Journal of Rock Mechanics and Geotechnical Engineering》 2026年第1期637-650,共14页
As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalen... As binary geological media,soil-rock mixtures(SRMs)exhibit a distinct gradational composition,leading to their unique mechanical behaviors.To appraise the stability of SRM slopes,it is essential to determine equivalent parameters of SRMs,which are typically obtained through experimental and numerical methods.In contrasted to other numerical methods,the numerical manifold method(NMM)is more effective in addressing SRM problems.This is because the high-precision regular mathematical meshes in NMM can be used without aligning with the soil-rock interfaces and boundaries of SRMs.In the current research,the equivalent strength parameters of SRMs,i.e.the equivalent cohesion ce and internal friction angleϕ_(e),are determined using NMM.Initially,an NMM triaxial numerical model is established and validated based on triaxial experiments.Subsequently,the soil and rock parameters are derived through parameter inversion.Moreover,the impacts of rock content,size,shape and rock blocks'major-axis orientation on ce andϕ_(e) of SRMs are thoroughly examined using the NMM triaxial numerical model.Additionally,a fitting function is proposed to linkϕ_(e) to the rock content and size of SRMs.When other influencing factors are fixed,the above fitting model leads to the following conclusions:(1)the predictedϕ_(e) of SRMs increase with the increase of rock content;and(2)SRM samples with smaller rocks display a higher predictedϕ_(e). 展开更多
关键词 Soil-rock mixtures Equivalent strength parameters Numerical manifold method
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