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Recent Advances in Nanocellulose-Based Aerogels:Fabrication,Functionalization and Applications
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作者 Lin Jia Qiang He 《Journal of Polymer Materials》 2026年第1期38-63,共26页
Aerogels,renowned as ultra-lightweight solids with exceptional porosity and specific surface area,have emerged as pivotal materials for thermal insulation,catalysis,energy storage,and biomedicine.This review comprehen... Aerogels,renowned as ultra-lightweight solids with exceptional porosity and specific surface area,have emerged as pivotal materials for thermal insulation,catalysis,energy storage,and biomedicine.This review comprehensively evaluates the recent strides in sustainable,high-performance cellulose-based aerogels,emphasizing their fabrication,functionalization,and application prospects.It details the extraction of cellulose fromdiverse sources and its subsequent processing into nanocellulose(e.g.,cellulose nanofibrils and nanocrystals),which serves as the fundamental building block for aerogel synthesis.The critical sol-gel transition,solvent selection,and the pivotal role of drying techniques—freeze-drying,supercritical drying,and ambient pressure drying—in determining final aerogel architecture and properties are systematically analyzed.Special emphasis is placed on the advanced chemical modification of nanocellulose,including esterification,click chemistry,etherification,silanization,and amidation,which tailors surface chemistry to impart hydrophobicity,reactivity,or specific binding sites.The profound influence of cellulose source characteristics(aspect ratio,crystallinity,surface charge)on the pore-forming mechanism and aerogel performance is thoroughly discussed,bridging raw material selection with microstructure design.The review further elucidates the engineering of hybrid and composite aerogels by integrating silica,graphene,polymers,semiconductors,and metal-organic frameworks(MOFs),which synergistically enhance functionalities for targeted applications such as adsorption,photocatalysis,energy storage,sensing,and biomedical engineering.Despite significant progress,challenges remain in scalable green fabrication,balancing ultra-high porosity with mechanical robustness,and deepening the mechanistic understanding in complex applications.This work consolidates the current state-of-the-art,identifies key knowledge gaps,and provides a forward-looking perspective on the development of cellulose aerogels as versatile platforms for next-generation sustainable technologies. 展开更多
关键词 NANOCELLULOSE AEROGELS functionalIZATION nanocellulose-based composites drying methods hybrid materials
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New Insight to Large Deformation Analysis of Thick-Walled Axisymmetric Functionally Graded Hyperelastic Ellipsoidal Pressure Vessel Structures:A Comparison between FEM and PINNs
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作者 Azhar G.Hamad Nasser Firouzi Yousef S.Al Rjoub 《Computers, Materials & Continua》 2026年第5期403-430,共28页
The accurate mechanical analysis of thick-walled pressure vessel structures composed of advanced materials,such as hyperelastic and functionally graded materials(FGMs),is critical for ensuring their safety and optimiz... The accurate mechanical analysis of thick-walled pressure vessel structures composed of advanced materials,such as hyperelastic and functionally graded materials(FGMs),is critical for ensuring their safety and optimizing their design.However,conventional numerical methods can face challenges with the non-linearities inherent in hyperelasticity and the complex spatial variations in FGMs.This paper presents a novel hybrid numerical approach combining Physics-Informed Neural Networks(PINNs)with Finite Element Method(FEM)derived data for the robust analysis of thick-walled,axisymmetric,heterogeneous,hyperelastic pressure vessels with elliptical geometries.A PINN framework incorporating neo-Hookean constitutive relations is developed in MATLAB.To enhance training efficiency and accuracy,the PINN’s loss function is augmented with displacement data obtained from high-fidelity FEM simulations performed in ANSYS.The methodology is rigorously validated by comparing PINN-predicted displacement and von Mises stress fields against ANSYS benchmarks for various scenarios of FGMconfigurations(with material properties varying according to a power law)subjected to internal and external pressurization.The results demonstrate excellent agreement between the proposed hybrid PINN-FEMapproach and conventional FEMsolutions across all test cases,accurately capturing complex deformation patterns and stress concentrations.This study highlights the potential of data-augmented PINNs as an effective and accurate computational tool for tackling complex solid mechanics problems involving non-linearmaterials and significant heterogeneity,offering a promising avenue for future research in engineering design and analysis. 展开更多
关键词 Finite elementmethod(FEM) physics-informed neural networks(PINNs) HYPERELASTICITY functionally graded materials(FGMs) pressure vessels hybrid numerical methods axisymmetric analysis
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Mixing planting proportions in a plantation affects functional traits and biomass allocation of Cunninghamia lanceolata and Phoebe bournei seedlings 被引量:5
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作者 Meiqin Zha Youzhi Han Xiangrong Cheng 《Journal of Forestry Research》 SCIE CAS CSCD 2022年第6期1793-1805,共13页
Functional traits of trees are significantly associated with their adaptation strategies and productivity.However,the effects of species composition and mixing proportion on the functional traits of trees grown in mix... Functional traits of trees are significantly associated with their adaptation strategies and productivity.However,the effects of species composition and mixing proportion on the functional traits of trees grown in mixed plantations have not been studied extensively.In this study,planting experiments(duration about seven months)were used to study variations in functional traits and biomass allocation of C unninghamia lanceolata(Lamb.)Hook and Phoebe bournei(Hemsley)Yang seedlings in five different mixes(0C:4P,1C:3P,1C:1P,3C:1P,and 4C:0P).Total leaf area per seedling increased in each species as its respective proportion in the mixture decreased.However,the specific leaf area decreased for P.bournei under low percent composition,and the specific leaf area for C.lanceolata differed only marginally among the plantings.The net photosynthetic rates of the two species were higher in the mixed plantings than in their corresponding monocultures,whereas the transpiration rate,stomatal conductance,and instantaneous water use efficiency were not different among the plantings.The average root length and root surface area of C.lanceolata and P.bournei were higher in the mixed plantings than in their monocultures.Specifically,root surface area of C.lanceolate and both root length and surface area of P.bournei increased significantly in the 1C:3P and 2C:2P mixed plantings.Leaf,stem,root,and total dry mass per seedling for C.lanceolata decreased with its increasing percent composition in the mixed plantings,while these variables varied less for P.bournei.The plasticity of biomass allocation was relatively low for both species.Total biomass per planting was higher in the mixed plantings than in the monocultures.Our study indicates that species composition and mixing proportion can considerably affect the functional traits of C.lanceolata and P.bournei.The increase in productivity in the mixed plantings may be partially attributed to low rates of competition between the two species,and future studies should examine the different interspecies relationships.The results of this study can be used to improve plantation productivity and ultimately increase the sustainability of tree products and help to better understand the adaptation strategies of plant coexistence. 展开更多
关键词 mixing proportion Tree species composition functional traits Interspecific relationship Intraspecific relationship
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Modified Functional Projective Synchronization of the Unidirectional and Bidirectional Hybrid Connective Star Network with Coupling Time-Delay 被引量:4
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作者 LI Dekui 《Wuhan University Journal of Natural Sciences》 CAS CSCD 2019年第4期321-328,共8页
An unidirectional and bidirectional hybrid connective star network model with coupling time-delay is constructed in this paper. According to synchronization error systems, adaptive controllers for each node are struct... An unidirectional and bidirectional hybrid connective star network model with coupling time-delay is constructed in this paper. According to synchronization error systems, adaptive controllers for each node are structured by using the linear system stability method and the Lyapunov stability method. These adaptive controllers can realize the modified functional projective synchronization between each node of star network and an isolated node by argument and analysis. Finally, the corrective and effective of the adaptive controllers are illustrated by some numerical examples. 展开更多
关键词 star network UNIDIRECTIONAL and BIDIRECTIONAL hybrid connection time-delay MODIFIED functional projective synchronization
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Gas Sensors Based on Chemi?Resistive Hybrid Functional Nanomaterials 被引量:10
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作者 Yingying Jian Wenwen Hu +4 位作者 Zhenhuan Zhao Pengfei Cheng Hossam Haick Mingshui Yao Weiwei Wu 《Nano-Micro Letters》 SCIE EI CAS CSCD 2020年第6期27-69,共43页
Chemi-resistive sensors based on hybrid functional materials are promising candidates for gas sensing with high responsivity,good selectivity,fast response/recovery,great stability/repeatability,room-working temperatu... Chemi-resistive sensors based on hybrid functional materials are promising candidates for gas sensing with high responsivity,good selectivity,fast response/recovery,great stability/repeatability,room-working temperature,low cost,and easy-to-fabricate,for versatile applications.This progress report reviews the advantages and advances of these sensing structures compared with the single constituent,according to five main sensing forms:manipulating/constructing heterojunctions,catalytic reaction,charge transfer,charge carrier transport,molecular binding/sieving,and their combinations.Promises and challenges of the advances of each form are presented and discussed.Critical thinking and ideas regarding the orientation of the development of hybrid material-based gas sensor in the future are discussed. 展开更多
关键词 GAS SENSOR hybrid Chemi-resistor functional NANOMATERIALS
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Functional diversity dominates positive species mixture effects on ecosystem multifunctionality in subtropical plantations 被引量:5
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作者 Xi Li Hui Wang +4 位作者 Junwei Luan Scott X.Chang Bing Gao Yi Wang Shirong Liu 《Forest Ecosystems》 SCIE CSCD 2022年第3期417-426,共10页
Mixed-species plantations generally exhibit higher ecosystem multifunctionality than monospecific plantations.However,it is unclear how tree species functional composition influences species mixture effects on ecosyst... Mixed-species plantations generally exhibit higher ecosystem multifunctionality than monospecific plantations.However,it is unclear how tree species functional composition influences species mixture effects on ecosystem multifunctionality.We selected 171 monospecific and mixed-species plantations from nine regions across subtropical China,and quantified 13 key ecosystem functional properties to investigate how species mixture effects on ecosystem multifunctionality are modulated by functional diversity and identity.We found that ecosystem multifunctionality was significantly higher(p<0.05)in mixed tree plantations than in monospecific plantations except the mixed-conifer species plantations.Across all regions,ecosystem multifunctionality was significantly higher(p<0.05)in mixed conifer-broadleaf plantations than in monospecific plantations of the corresponding species,but not different between mixed and monospecific coniferous plantations.The magnitude of species mixture effects on ecosystem multifunctionality varied greatly with tree species compositions.Taking Cunninghamia lanceolata Lamb.as an example,the effects varied from a range of 2.0%–9.6%when mixed with a conifer species to 36%–87%when mixed with a broadleaf species.The functional diversity was the dominate driver shaping ecosystem multifunctionality,while functional identity,as expressed by community-weighted mean of specific leaf area,also had a positive effect on ecosystem multifunctionality through the increased below-ground nitrogen and phosphorus stocks regulated by specific leaf area of the mixing tree species.Our study highlights the important role of functional diversity in shaping ecosystem multifunctionality across region-wide environmental conditions.Mixed conifer-broadleaf tree plantations with distinct functional traits benefit the enhancement of ecosystem multifunctionality,and the magnitude of species mixture effects is modulated by the functional identity of tree species composition;those relationships deserve a special consideration in multifunctional management context of subtropical plantations. 展开更多
关键词 Ecosystem multifunctionality Species mixture effects functional diversity functional identity mixed tree plantations Monospecific plantations
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Defects Energetics and Electronic Properties of Li Doped ZnO: A Hybrid Hartree-Fock and Density Functional Study 被引量:3
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作者 Xu Sun You-song Gu +1 位作者 Xue-qiang Wang Yue Zhang 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2012年第3期261-268,373,共9页
The electronic properties and stability of Li-doped ZnO with various defects have been stud- ied by calculating the electronic structures and defect formation energies via first-principles calculations using hybrid Ha... The electronic properties and stability of Li-doped ZnO with various defects have been stud- ied by calculating the electronic structures and defect formation energies via first-principles calculations using hybrid Hartree-Fock and density functional methods. The results from formation energy calculations show that Li pair complexes have the lowest formation energy in most circumstances and they consume most of the Li content in Li doped ZnO, which make the p-type conductance hard to obtain. The formation of Li pair complexes is the main obstacle to realize p-type conductance in Li doped ZnO. However, the formation energy of Lizn decreases as environment changes from Zn-rich to O-rich and becomes more stable than that of Li-pair complexes at highly O-rich environment. Therefore, p-type conductance can be obtained by Li doped ZnO grown or post annealed in oxygen rich atmosphere. 展开更多
关键词 Li doped ZnO Multi-defects hybrid density functional
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Geochemical studies of hybrid granite from Madugulapalli area, Eastern Dharwar Craton, Southern India: Implications for crustal mixing 被引量:2
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作者 Nagamma J Ratnakar J +1 位作者 Ajay kumar A Ashok Ch 《Acta Geochimica》 EI CAS CSCD 2023年第1期9-23,共15页
Magma produced by melting of continental crust and mantle at the Archean-Proterozoic boundary are compositionally variable and chemical compositions provide evidence for the mixing of two sources. Understanding the co... Magma produced by melting of continental crust and mantle at the Archean-Proterozoic boundary are compositionally variable and chemical compositions provide evidence for the mixing of two sources. Understanding the composition of hybrid magma is essential for determining the comparative infl uence of crust and mantle sources during orogenesis. The hybrid granites are less documented in Indian cratons, especially less in Dharwar Craton. Here we present petrographic and whole-rock geochemical data of Madgulapalli granitic rocks situated in the NE part of the Eastern Dharwar Craton(EDC), to elucidate their petrogenesis and role in crust formation. The Madugulapalli granites(MPG) are composed chiefl y of plagioclase, quartz, and alkali feldspar with associated biotite showing alteration and inter-granular textures. Geochemically, they are metaluminous to peraluminous in nature with calc-alkaline hybrid granite. The hybrid granites exhibit both negative and positive europium anomalies;the lower Rb/Sr, Rb, Sr, and higher Sr/Y,(Dy/Yb)N ratios suggest that the interaction of older rocks with residual garnet source melted at high pressures. We hypothesize that hybrid granites are formed by interaction(e.g., metasomatism, mingling, or mixing) between parental magmas and pre-existing rocks with the infl uence of sanukitoid melts(heat source) in a subduction environment. The genesis of the hybrid granites demonstrates the mixing coupled with diff erentiation in the petrogeny’s residue system in a syn-collision setting followed by continental crust stability in EDC during the Neoarchean period. 展开更多
关键词 Madugulapalli granite hybrid granite Crustal mixing SUBDUCTION
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Hybrid graded element model for transient heat conduction in functionally graded materials 被引量:4
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作者 Lei-Lei Cao Qing-Hua Qin Ning Zhao 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2012年第1期128-139,共12页
This paper presents a hybrid graded element model for the transient heat conduction problem in functionally graded materials (FGMs). First, a Laplace transform approach is used to handle the time variable. Then, a f... This paper presents a hybrid graded element model for the transient heat conduction problem in functionally graded materials (FGMs). First, a Laplace transform approach is used to handle the time variable. Then, a fundamental solution in Laplace space for FGMs is constructed. Next, a hybrid graded element is formulated based on the obtained fundamental solution and a frame field. As a result, the graded properties of FGMs are naturally reflected by using the fundamental solution to interpolate the intra-element field. Further, Stefest's algorithm is employed to convert the results in Laplace space back into the time-space domain. Finally, the performance of the proposed method is assessed by several benchmark examples. The results demonstrate well the efficiency and accuracy of the proposed method. 展开更多
关键词 Graded element model functionally graded materials hybrid FEM Transient heat conduction
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A Fixed Point Approach to the Fuzzy Stability of a Mixed Type Functional Equation 被引量:1
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作者 Cheng Li-hua Zhang Jun-min 《Communications in Mathematical Research》 CSCD 2016年第2期122-130,共9页
Through the paper, a general solution of a mixed type functional equation in fuzzy Banach space is obtained and by using the fixed point method a generalized Hyers-Ulam-Rassias stability of the mixed type functional e... Through the paper, a general solution of a mixed type functional equation in fuzzy Banach space is obtained and by using the fixed point method a generalized Hyers-Ulam-Rassias stability of the mixed type functional equation in fuzzy Banach space is proved. 展开更多
关键词 mixed functional equation Hyers-Ulam stability Fuzzy Banach space fixed point
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Amino-functionalized UiO-66-doped mixed matrix membranes with high permeation performance and fouling resistance 被引量:1
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作者 Yi Zhang Di Liu +6 位作者 Zhaoli Wang Junjian Yu Yanyin Cheng Wenjing Li Zhe Wang Hongzhe Ni Yuchao Wang 《Chinese Journal of Chemical Engineering》 SCIE EI CAS CSCD 2024年第3期68-77,共10页
For the reduction of bovine serum proteins from wastewater,a novel mixed matrix membrane was prepared by functionalizing the substrate material polyaryletherketone(PAEK),followed by carboxyl groups(C-SPAEKS),and then ... For the reduction of bovine serum proteins from wastewater,a novel mixed matrix membrane was prepared by functionalizing the substrate material polyaryletherketone(PAEK),followed by carboxyl groups(C-SPAEKS),and then adding amino-functionalized UiO-66-NH_(2)(Am-UiO-66-NH_(2)).Aminofunctionalization of UiO-66 was accomplished by melamine,followed by an amidation reaction to immobilize Am-UiO-66-NH_(2),which was immobilized on the surface of the membrane as well as in the pore channels,which enhanced the hydrophilicity of the membrane surface while increasing the negative potential of the membrane surface.This nanoparticle-loaded ultrafiltration membrane has good permeation performance,with a pure water flux of up to 482.3 L·m^(-2)·h^(-1) for C-SPAEKS/AmUiO-66-NH_(2) and a retention rate of up to 98.7%for bovine serum albumin(BSA)-contaminated solutions.Meanwhile,after several hydrophilic modifications,the flux recovery of BSA contaminants by this series of membranes increased from 56.2%to 80.55%of pure membranes.The results of ultra-filtration flux time tests performed at room temperature showed that the series of ultrafiltration membranes remained relatively stable over a test time of 300 min.Thus,the newly developed mixed matrix membrane showed potential for high efficiency and stability in wastewater treatment containing bovine serum proteins. 展开更多
关键词 ULTRAFILTRATION mixed matrix membranes Amino functionalization Hydrophilic modification Negatively charged
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A New Hybrid Model of Amino Acid Substitution for Protein Functional Classification 被引量:1
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作者 Ke Long WANG Zhi Ning WEN +1 位作者 Fu Sheng NIE Meng Long LI 《Chinese Chemical Letters》 SCIE CAS CSCD 2005年第8期1133-1136,共4页
In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by ... In this paper, a new hybrid model of amino acid substitution is developed and compared with the others in previous works. The results show that the new hybrid model can characterize the protein sequences very well by calculating Fisher weights, which can denote how much the variants contribute to the classification. 展开更多
关键词 hybrid model of amino acid substitution protein functional classification Fisherweights.
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HashTrie Functional Framework and Its Application in Chinese-English Pattern Matching
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作者 ZUO Zhengkang ZHOU Chao +1 位作者 ZENG Zhicheng WANG Changjing 《Wuhan University Journal of Natural Sciences》 2025年第2期184-194,共11页
Most existing multi-pattern matching algorithms are designed for single English texts leading to issues such as missed matches and space expansion when applied to Chinese-English mixed-text environments.The Hash Trie-... Most existing multi-pattern matching algorithms are designed for single English texts leading to issues such as missed matches and space expansion when applied to Chinese-English mixed-text environments.The Hash Trie-based matching machine demonstrates strong compatibility with both Chinese and English,ensuring high accuracy in text processing and subtree positioning.In this study,a novel functional framework based on the HashTrie structure is proposed and mechanically verified using Isabelle/HOL.This framework is applied to design Functional Multi-Pattern Matching(FMPM),the first functional multi-pattern matching algorithm for Chinese-English mixed texts.FMPM constructs the HashTrie matching machine using character codes and threads the machine according to the associations between pattern strings.The experimental results show that as the stored string information increases,the proposed algorithm demonstrates more significant optimization in retrieval efficiency.FMPM simplifies the implementation of the Threaded Hash Trie(THT)for Chinese-English mixed texts,effectively reducing the uncertainties in the transition from the algorithm description to code implementation.FMPM addresses the problem of space explosion Chinese-English mixed texts and avoids issues such as bound variable iteration errors.The functional framework of the HashTrie structure serves as a reference for the formal verification of future HashTrie-based algorithms. 展开更多
关键词 multi-pattern matching Chinese-English mixed HashTrie functional mechanized verification
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Hybrid Nanofluids Mixed Convection inside a Partially Heated Square Enclosure with Driven Sidewalls
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作者 Meriem Bounib Aicha Bouhezza +4 位作者 Abdelkrim Khelifa Mohamed Teggar Hasan Köen Aissa Atia Yassine Cherif 《Frontiers in Heat and Mass Transfer》 2025年第4期1323-1350,共28页
This study investigates laminar convection in three regimes(forced convection,mixed convection,and natural convection)of a bi-nanofluid(Cu-Al_(2)O_(3)-water)/mono-nanofluid(Al_(2)O_(3)-water)inside a square enclosure ... This study investigates laminar convection in three regimes(forced convection,mixed convection,and natural convection)of a bi-nanofluid(Cu-Al_(2)O_(3)-water)/mono-nanofluid(Al_(2)O_(3)-water)inside a square enclosure of sliding vertical walls which are kept at cold temperature and moving up,down,or in opposite directions.The enclosure bottom is heated partially by a central heat source of various sizes while the horizontal walls are considered adiabatic.The thermal conductivity and dynamic viscosity are dependent on temperature and nanoparticle size.The conservation equations are implemented in the solver ANSYS R2(2020).The numerical predictions are successfully validated by comparison with data from the literature.Numerical simulations are carried out for various volume fractions of solid mono/hybrid-nanoparticles(0≤ϕ≤5%),Richardson numbers(0.001≤Ri≤10),and hot source lengths((1/5)H≤ε≤(4/5)H).Isothermal lines,streamlines,and average Nusselt numbers are analyzed.The thermal performance of nanofluids is compared to that of the base heat transfer fluid(water).Outcomes illustrate the flow characteristics significantly affected by the convection regime,hot source size,sidewall motion,and concentration of solid nanoparticles.In the case of sidewalls moving downward,using hybrid nanofluid(Cu-Al_(2)O_(3)-water)shows the highest heat transfer rate in the enclosure at Ri=1,ε=(4/5)H and volume fraction ofφ=5%where a significant increment(25.14%)of Nusselt number is obtained. 展开更多
关键词 mixed convection heat transfer enhancement hybrid nanofluid nanoparticles Richardson number
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A density-functional-theory-based and machine-learning-accelerated hybrid method for intricate system catalysis 被引量:4
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作者 Xuhao Wan Zhaofu Zhang +1 位作者 Wei Yu Yuzheng Guo 《Materials Reports(Energy)》 2021年第3期81-90,共10页
Being progressively applied in the design of highly active catalysts for energy devices,machine learning(ML)technology has shown attractive ability of dramatically reducing the computational cost of the traditional de... Being progressively applied in the design of highly active catalysts for energy devices,machine learning(ML)technology has shown attractive ability of dramatically reducing the computational cost of the traditional density functional theory(DFT)method,showing a particular advantage for the simulation of intricate system catalysis.Starting with a basic description of the whole workflow of the novel DFT-based and ML-accelerated(DFT-ML)scheme,and the common algorithms useable for machine learning,we presented in this paper our work on the development and performance test of a DFT-based ML method for catalysis program(DMCP)to implement the DFT-ML scheme.DMCP is an efficient and user-friendly program with the flexibility to accommodate the needs of performing ML calculations based on the data generated by DFT calculations or from materials database.We also employed an example of transition metal phthalocyanine double-atom catalysts as electrocatalysts for carbon reduction reaction to exhibit the general workflow of the DFT-ML hybrid scheme and our DMCP program. 展开更多
关键词 DMCP program Machine learning Density functional theory DFT-ML hybrid Scheme CATALYSIS Double-atom catalysts
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Higher Order Divisor Functions over Values of Mixed Powers
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作者 DU Chen-hao SUN Qing-feng 《Chinese Quarterly Journal of Mathematics》 2025年第4期331-351,共21页
Let τk(n) be the k-th divisor function.In this paper,we derive an asymptotic formula for the sum ■where k≥4,r≥2,s≥2 and ℓ≥2r-1are integers.
关键词 k-th divisor function Divisor problem mixed powers
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First-principles prediction of shock Hugoniot curves of boron,aluminum,and silicon from stochastic density functional theory
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作者 Tao Chen Qianrui Liu +1 位作者 Chang Gao Mohan Chen 《Matter and Radiation at Extremes》 2025年第5期73-83,共11页
By adopting stochastic density functional theory(SDFT)and mixed stochastic-deterministic density functional theory(MDFT)methods,we perform first-principles calculations to predict the shock Hugoniot curves of boron(pr... By adopting stochastic density functional theory(SDFT)and mixed stochastic-deterministic density functional theory(MDFT)methods,we perform first-principles calculations to predict the shock Hugoniot curves of boron(pressure P=7.9×10^(3)-1.6×10^(6) GPa and temperature T=25-2800 eV),silicon(P=2.6×10^(3)-7.9×10^(5) GPa and T=21.5-1393 eV),and aluminum(P=5.2×10^(3)-9.0×10^(5) GPa and T=25-1393 eV)over wide ranges of pressure and temperature.In particular,we systematically investigate the impact of different cutoff radii in norm-conserving pseudopotentials on the calculated properties at elevated temperatures,such as pressure,ionization energy,and equation of state.By comparing the SDFT and MDFT results with those of other first-principles methods,such as extended first-principles molecular dynamics and path integral Monte Carlo methods,we find that the SDFT and MDFT methods show satisfactory precision,which advances our understanding of first-principles methods when applied to studies of matter at extremely high pressures and temperatures. 展开更多
关键词 mixed stochastic deterministic density functional theory BORON shock hugoniot curves stochastic density functional theory stochastic density functional theory sdft ALUMINUM SILICON first principles calculations
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Mixed lineage kinase domain-like protein in liver diseases:Cell-typespecific functions and dual roles
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作者 Ming-Xing Liang Ying Zhou +4 位作者 Su-Qun Li Wan-Sheng Xiang Zong-Qin Pan Ying-Hua Chen Yi-Huai He 《World Journal of Gastroenterology》 2025年第14期161-167,共7页
In this letter,we comment on the article by Xuan Yuan et al,published in the recent issue of the World Journal of Gastroenterology.Mixed lineage kinase domainlike protein(MLKL)exhibits cell-type-specific functions in ... In this letter,we comment on the article by Xuan Yuan et al,published in the recent issue of the World Journal of Gastroenterology.Mixed lineage kinase domainlike protein(MLKL)exhibits cell-type-specific functions in liver parenchymal and non-parenchymal cells,playing dual roles in the pathogenesis of liver diseases.In hepatocytes,MLKL primarily mediates necroptosis and inhibits autophagy,thereby exacerbating liver injury.Conversely,in non-parenchymal liver cells,MLKL modulates inflammatory responses and promotes fibrotic processes,thereby driving disease progression.Notably,MLKL also demonstrates protective functions under specific conditions.For instance,MLKL can inhibit intracellular bacterial replication,promote endosomal trafficking,and facilitate the generation and release of extracellular vesicles,potentially exerting hepatoprotective effects.Understanding these cell-type-specific mechanisms of MLKL action,including its dual roles in promoting injury and providing protection,is crucial for elucidating the complex pathogenesis of liver diseases and developing targeted therapeutic strategies. 展开更多
关键词 Cell-type-specific functions Dual roles Liver diseases mixed lineage kinase domain-like protein NECROPTOSIS
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SYNTHESIS AND CHARACTERIZATION OF AMINO FUNCTIONALIZED LADDER-LIKE POLYSILSESQUIOXANES AND THEIR HYBRID FILMS WITH POLYIMIDE
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作者 Qiu-shuang Gao Guo-feng Tian +2 位作者 Sheng-li Qi Zhan-peng Wu 武德珍 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2013年第3期427-433,共7页
Ladder-like polysilsesquioxanes (LPSQs) with different amino contents have been synthesized by controlling of the dosage of Pd/C catalyst. The concentration and activity of amino groups were investigated by Fourier ... Ladder-like polysilsesquioxanes (LPSQs) with different amino contents have been synthesized by controlling of the dosage of Pd/C catalyst. The concentration and activity of amino groups were investigated by Fourier transform infrared spectroscopy. Polyimide (PI)/LPSQ hybrid films have been prepared by incorporating of the obtained LPSQs with different amino contents into PI matrix, respectively. The interfacial interactions between PI matrix and LPSQ were studied with scanning electron microscopy and X-ray photoelectron spectroscopy, meanwhile the thermal and mechanical properties of the hybrid films were studied using dynamic mechanical analysis and tensile tests. The results indicate that the functionality of LPSQ has great effects on the interfacial interactions and the properties of hybrid films. With the increase of amino content, both the interracial interactions and the cross-linking density of hybrids enhanced, which results in the decline of surface silicon concentration, increase of Young's modulus and drop of elongation at break. Excessive amino content makes the hybrid films brittle and leads to incomplete imidization. 展开更多
关键词 Organic-inorganic hybrid Amino functionalized ladder-like polysilsesquioxane Polyimide.
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Reliability Topology Optimization Based on Kriging-Assisted Level Set Function and Novel Dynamic Hybrid Particle Swarm Optimization Algorithm
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作者 Hang Zhou Xiaojun Ding +1 位作者 Song Chen Qijun Zhang 《Computer Modeling in Engineering & Sciences》 2025年第8期1907-1933,共27页
Structural Reliability-Based Topology Optimization(RBTO),as an efficient design methodology,serves as a crucial means to ensure the development ofmodern engineering structures towards high performance,long service lif... Structural Reliability-Based Topology Optimization(RBTO),as an efficient design methodology,serves as a crucial means to ensure the development ofmodern engineering structures towards high performance,long service life,and high reliability.However,in practical design processes,topology optimization must not only account for the static performance of structures but also consider the impacts of various responses and uncertainties under complex dynamic conditions,which traditional methods often struggle accommodate.Therefore,this study proposes an RBTO framework based on a Kriging-assisted level set function and a novel Dynamic Hybrid Particle Swarm Optimization(DHPSO)algorithm.By leveraging the Kriging model as a surrogate,the high cost associated with repeatedly running finite element analysis processes is reduced,addressing the issue of minimizing structural compliance.Meanwhile,the DHPSO algorithm enables a better balance between the population’s developmental and exploratory capabilities,significantly accelerating convergence speed and enhancing global convergence performance.Finally,the proposed method is validated through three different structural examples,demonstrating its superior performance.Observed that the computational that,compared to the traditional Solid Isotropic Material with Penalization(SIMP)method,the proposed approach reduces the upper bound of structural compliance by approximately 30%.Additionally,the optimized results exhibit clear material interfaces without grayscale elements,and the stress concentration factor is reduced by approximately 42%.Consequently,the computational results fromdifferent examples verify the effectiveness and superiority of this study across various fields,achieving the goal of providing more precise optimization results within a shorter timeframe. 展开更多
关键词 Reliability topology optimization kriging model level set function dynamic hybrid particle swarm optimization engineering structure
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