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Simultaneous Bulk-and Surface-initiated Living Polymerization Studied with a Heterogeneous Stochastic Reaction Model

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Chinese Journal of Polymer Science 2024年第3期42卷 364-372,I0008页

作者： Jia-Shu Ma Zhi-Ning Huang Jia-Hao Li Bang-Ping Jiang Yan-Da Liao Shi-Chen Ji Xing-Can Shen State Key Laboratory for Chemistry and Molecular engineering of Medicinal resources Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources(Ministry of Education of China)School of Chemistry and Pharmaceutical SciencesGuangxi Normal UniversityGuilin 541004China school of Computer Science and engineering&school of Software Guangxi Normal UniversityGuilin 541004China

To better characterize the properties of surface-initiated polymers, simultaneous bulk-and surface-initiated polymerizations are usually carried out by assuming that the properties of the surface-initiated polymers resemble those of the bulk-initiated polymers. Through a Monte Carlo simulation using a heterogeneous stochastic reaction model, it was discovered that the bulk-initiated polymers exhibit a higher molecular weight and a lower dispersity than the corresponding surface-initiated polymers, which indicates that the equivalent assumption is invalid. Furthermore, the molecular weight distributions of the two types of polymers are also different, suggesting different polymerization mechanisms. The results can be simply explained by the heterogeneous distributions of reactants in the system. This study is helpful to better understand surface-initiated polymerization.

关键词： Surface-initiated polymerization Polymer brush Stochastic reaction model Heterogeneous polymerization Simultaneous polymerization

Finite Element Simulations on Failure Behaviors of Granular Materials with Microstructures Using a Micromechanics-Based Cosserat Elastoplastic Model

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Computer Modeling in engineering & Sciences 2024年第3期138卷 2305-2338页

作者： Chenxi Xiu Xihua Chu school of civil engineering Chongqing Jiaotong UniversityChongqing400074China school of civil engineering Wuhan UniversityWuhan430072China

This paper presents a micromechanics-based Cosserat continuum model for microstructured granular *** utilizing this model,the macroscopic constitutive parameters of granular materials with different microstructures are expressed as sums of microstructural *** microstructures under consideration can be classified into three categories:a medium-dense microstructure,a dense microstructure consisting of one-sized particles,and a dense microstructure consisting of two-sized ***,the Cosserat elastoplastic model,along with its finite element formulation,is derived using the extended Drucker-Prager yield *** investigate failure behaviors,numerical simulations of granular materials with different microstructures are conducted using the ABAQUS User Element(UEL)*** demonstrates the capacity of the proposed model to simulate the phenomena of strain-softening and strain *** study investigates the influence of microscopic parameters,including contact stiffness parameters and characteristic length,on the failure behaviors of granularmaterials ***,the study examines themesh independence of the presented model and establishes its relationship with the characteristic length.A comparison is made between finite element simulations and discrete element simulations for a medium-dense microstructure,revealing a good agreement in results during the elastic *** parameters describing plasticity are shown to be partially related to microscopic factors such as confining pressure and size of the representative volume element.

关键词： Granular materials micromechanics Cosserat elastoplastic model microstructures failure behaviors

Limit load and failure mechanisms of a vertical Hoek-Brown rock slope

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Journal of Rock Mechanics and Geotechnical engineering 2024年第3期16卷 1106-1111页

作者： Jim Shiau Warayut Dokduea Suraparb Keawsawasvong Pitthaya Jamsawang school of engineering University of Southern QueenslandToowoomba4350QLDAustralia Department of civil engineering Faculty of EngineeringKing Mongkut’s University of Technology ThonburiBangkokThailand Research Unit in Sciences and Innovative Technologies for civil engineering Infrastructures Department of Civil EngineeringThammasat School of EngineeringThammasat UniversityPathumthani12120Thailand Soil engineering Research Center Department of Civil EngineeringKing Mongkut’s University of Technology North BangkokBangkok10800Thailand

The problem considered in this short note is the limit load determination of a vertical rock *** classical limit theorem is employed with the use of adaptive finite elements and nonlinear programming to determine upper and lower bound limit loads of a Hoek-Brown vertical rock *** objective function of the mathematical programming problem is such as to optimize a boundary load,which is known as the limit load,resembling the ultimate bearing capacity of a strip *** focusing on the vertical slope,parametric studies are carried out for several dimensionless ratios such as the dimensionless footing distance ratio,the dimensionless height ratio,and the dimensionless rock strength ratio.A comprehensive set of design charts is presented,and failure envelopes shown with the results explained in terms of three identified failure mechanisms,*** face,the toe,and the Prandtl-type *** novel results can be used with great confidence in design practice,in particularly noting that the current industry-based design procedures for the presented problem are rarely found.

关键词： Bearing capacity Rock slope Vertical slope Finite element limit analysis Hoek-Brown yield criterion

Stress relaxation properties of calcium silicate hydrate:a molecular dynamics study

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Journal of Zhejiang University-Science A(Applied Physics & engineering) 2024年第2期25卷 97-115页

作者： Zhicheng GENG Shengwen TANG Yang WANG Hubao A Zhen HE Kai WU Lei WANG State Key Laboratory of Water resources engineering and Management Wuhan UniversityWuhan430072China Key Laboratory of Advanced civil engineering Materials of Ministry of Education School of Materials Science and EngineeringTongji UniversityShanghai200092China College of Materials Science and engineering Xi’an University of Architecture and TechnologyXi’an710055China

The time-dependent viscoelastic response of cement-based materials to applied deformation is far from fully understood at the atomic *** silicate hydrate(C-S-H),the main hydration product of Portland cement,is responsible for the viscoelastic mechanism of cement-based *** this study,a molecular model of C-S-H was developed to explain the stress relaxation characteristics of C-S-H at different initial deformation states,Ca/Si ratios,temperatures,and water contents,which cannot be accessed *** stress relaxation of C-S-H occurs regardless of whether it is subjected to initial shear,tensile,or compressive deformation,and shows a heterogeneous *** plays a crucial role in the stress relaxation process.A large Ca/Si ratio and high temperature reduce the cohesion between the calcium-silicate layer and the interlayer region,and the viscosity of the interlayer region,thereby accelerating the stress relaxation of *** effect of the hydrogen bond network and the morphology of C-S-H on the evolution of the stress relaxation characteristics of C-S-H at different water contents was elucidated by nonaffine mean squared *** results shed light on the stress relaxation characteristics of C-S-H from a microscopic perspective,bridging the gap between the microscopic phenomena and the underlying atomic-level mechanisms.

关键词： Calcium silicate hydrate(C-S-H) Stress relaxation Ca/Si ratio Temperature Water content Atomic simulation

Solidification/Stabilization of Chromium in Red Mud-based Geopolymer

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Journal of Wuhan University of Technology(Materials Science) 2024年第4期39卷 819-830页

作者：田崇霏 LUO Zhongtao LIU Lei LIU Xiaohai 张美香陈萌 HAI Ran school of Materials Science and engineering Zhengzhou UniversityZhengzhou 450001China Henan Renbang Technology Co. Ltd.Luoyang 471700China school of Water Conservancy and civil engineering Zhengzhou UniversityZhengzhou 450001China school of Architectural and civil engineering Zhongyuan University of TechnologyZhengzhou 450007China

Up to 1.5wt%of Cr(Ⅲ)salts(CrCl_(3),and Cr_(2)O_(3))and Cr(Ⅵ)salts(Na_(2)CrO_(4),and CaCr_(2)O_(7))were incorporated into red mud-based geopolymers,*** solidification/stabilization,compressive strength,and durability of the Cr-containing geopolymers were *** experimental results indicate that the red mud-based geopolymer could effectively solidify/stabilize different types of Cr salts with solidification/stabilization rates of above 99.61%.Geopolymers are environmentally safe when the dosage of CaCr_(2)O_(7)is≤1.0wt%,or the dosage of CrCl_(3),Cr_(2)O_(3),and Na_(2)CrO_(4)is≤1.5wt%,*** effects of Cr salts on the compressive strength varies with the type and content of Cr *** freeze-thaw cycle is more destructive to geopolymer properties than sulfate attack or acid rain *** solidification/stabilization of Cr is mainly attributed to the following reasons:a)The chemical binding of Cr is related to the formation of Cr-containing hydrates(eg,magnesiochromite((Mg,Fe)(Cr,Al)_(2)O_(4)))and doping into N-A-S-H gel and C-A-S-H gel framework;b)The physical effect is related to the encapsulation by the hydration products(e g,N-A-S-H gel and C-A-S-H gel).This study provides a reference for the treatment of hazardous Cr-containing wastes by solid waste-based geopolymers.

关键词： chromium solidification/stabilization geopolymer red mud durability

A robust triaxial localization method of AE source using refraction path

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International Journal of Mining Science and Technology 2024年第4期34卷 521-530页

作者： Yichao Rui Jie Chen Jiongkun Chen Jiadong Qiu Zilong Zhou Wenzhong Wang Jinyang Fan State Key Laboratory of Coal Mine Disaster Dynamics and Control Chongqing UniversityChongqing 400044China school of resources and Safety engineering Chongqing UniversityChongqing 400044China school of resources Environment and Safety engineering University of South ChinaHengyang 421001China school of resources and Safety engineering Central South UniversityChangsha 410083China Coal Geological Exploration Institute of Gansu Lanzhou 730030China

Acoustic emission(AE)localization algorithms based on homogeneous media or single-velocity are less accurate when applied to the triaxial localization *** the end,a robust triaxial localization method of AE source using refraction path is ***,the control equation of the refraction path is established according to the sensor coordinates and arrival ***,considering the influence of time-difference-of-arrival(TDOA)errors,the residual of the governing equation is calculated to estimate the equation ***,the refraction points in different directions are solved using Snell’s law and orthogonal ***,the source coordinates are iteratively solved by weighted correction *** feasibility and accuracy of the proposed method are verified by pencil-lead breaking *** simulation results show that the new method is almost unaffected by the refraction ratio,and always holds more stable and accurate positioning performance than the traditional method under different ratios and scales of TDOA outliers.

关键词： Acoustic emission(AE) Source localization Robust method Refraction paths Weight estimations

The important role of Turbidity Maximum Zone in sedimentary dynamic of estuarine mangrove swamp

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Frontiers of Earth Science 2024年第1期18卷 219-226页

作者： Tao LIU Ying LIU Baoqing HU Key laboratory of Environment Change and resources Use in Beibu Gulf(Ministry of Education) Nanning Normal UniversityNanning 530001China school of civil engineering and Architecture Guangxi UniversityNanning 530004China

Sedimentation is a key process affecting wetland sustainability and carbon burial *** context of sea level rise,climate change and human activities,further understanding about the sedimentary dynamic in wetland is critical in predicting the landscape evolution or the change in carbon burial *** this study,based on the field hydrological observation in a mangrove system in the Nanliu River estuary,we found the net flux of suspended sediment to mangrove is 39−72 kg/m in tidal cycles with Turbidity Maximum Zone(TMZ)forming in surface layer and only is 9−18 kg/m in tidal cycles without *** higher net flux of suspended sediment to mangrove in tidal cycles with TMZ forming in surface layer is attributed to high SSC in rising tide and intense flocculation in *** significant discrepancy in sedimentation rate in the mangrove patches also can be explained by the probability of TMZ forming in the surface layer of *** future,rapid sea level rising may lead to the change of TMZ pattern in estuary,which will result in non-negligible variation in sedimentation rate in *** to the present data of sedimentation rate in wetlands,the fragility of wetlands in river estuary may be miscalculated.

关键词： mangrove wetland sedimentation Turbidity Maximum Zone Nanliu River

Effects of grain's shape-and size-polydispersities,orientation,and area fraction on tortuosity and permeability of 2D granular media

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Particuology 2024年第7期90卷 535-557页

作者： Ke Cao Huisu Chen Mohammad Iqbal Khan Mingqi Li Lin Liu Jiangsu Key Laboratory of Construction Materials School of Materials Science and EngineeringSoutheast UniversityNanjing 211189China Department of civil engineering College of EngineeringKing Saud UniversityP.O.Box 800Riyadh 11421Saudi Arabia school of civil and Transportation engineering Hebei University of TechnologyTianjin 300401China College of civil and Transportation engineering Hohai UniversityNanjing210098China

The microstructure of granular media, including grain's shape- and size-polydispersities, orientation, and area fraction can potentially affect its permeability. However, few studies consider the coupling effects of these features. This work employs geometrical probability and stereology to establish quantitative relationships between the above microstructural features and the geometric tortuosity of the two-dimensional granular media containing superellipse, superoval, and polygon grains. Then the lattice Boltzmann method (LBM) is used to determine the permeabilities of these granular media. By combining the tortuosity model and the LBM-derived permeabilities, modified K–C equations are formulated to predict the permeability and the shape factor, considering the grain's shape- and size-polydispersities, orientation, and area fraction. The reliability of these methods can be verified by comparing them with both our simulations and available experimental, theoretical, and numerical data reported in the literature. The findings implicate that the tortuosity and permeability of the granular media are strongly correlated with the grain's shape, orientation, and area fraction but unaffected by the size polydispersity and spatial arrangement of grains. Only circularity is not enough to derive a unified formula for considering the impact of grain shape on tortuosity and permeability, other shape parameters need to be explored in the future.

关键词： Geometric tortuosity Konzey-Carman equation Shape and size ploydispersities Grain orientation Lattice Boltzmann method Granular media

Simplified seismic scenario analysis of existing masonry buildings accounting for local site effects

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Frontiers of Structural and civil engineering 2024年第2期18卷 309-318页

作者： Ayşe E.ÖZSOYÖZBAY Işıl SANRI KARAPINAR Zehra N.KUTLU İsmail E.KILIÇ Department of civil engineering Maltepe UniversityIstanbul 34857Turkey school of engineering and Construction Oryx Universal CollegeDoha 12253Qatar

This study discusses the effects of local sites and hazard amplification on the seismic vulnerability assessment of existing masonry *** this context,a rapid seismic evaluation procedure was implemented on an old masonry building stock in the historical center Galata,located inİstanbul,to determine the seismic risk priority of the built *** scenarios were generated for all soil classes,different moment magnitudes,and source-to-site distances to obtain more accurate results for the seismic vulnerability assessment of the studied building ***,damage distributions estimated under nine different scenarios with/without site effects were compared and illustrated in maps to discuss changes in vulnerability owing to amplification *** this study,by re-examining the rapid seismic evaluation procedure by including geo-hazard-based assessment,the importance of site effects on the vulnerability and risk assessment of built heritage was *** proposed framework integrating field data and local site effects is believed to advance the current applications for vulnerability assessment of masonry buildings and provide an improvement in the application of rapid seismic assessment procedures with more reliable results.

关键词： masonry buildings seismic vulnerability assessment cultural heritage local site effect