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Design of N-11-Azaartemisinins Potentially Active against Plasmodium falciparum by Combined Molecular Electrostatic Potential, Ligand-Receptor Interaction and Models Built with Supervised Machine Learning Methods
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作者 Jeferson Stiver Oliveira de Castro José Ciríaco Pinheiro +5 位作者 Sílvia Simone dos Santos de Morais Heriberto Rodrigues Bitencourt Antonio Florêncio de Figueiredo Marcos Antonio Barros dos Santos Fábio dos Santos Gil Ana Cecília Barbosa Pinheiro 《Journal of Biophysical Chemistry》 CAS 2023年第1期1-29,共29页
N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning m... N-11-azaartemisinins potentially active against Plasmodium falciparum are designed by combining molecular electrostatic potential (MEP), ligand-receptor interaction, and models built with supervised machine learning methods (PCA, HCA, KNN, SIMCA, and SDA). The optimization of molecular structures was performed using the B3LYP/6-31G* approach. MEP maps and ligand-receptor interactions were used to investigate key structural features required for biological activities and likely interactions between N-11-azaartemisinins and heme, respectively. The supervised machine learning methods allowed the separation of the investigated compounds into two classes: cha and cla, with the properties ε<sub>LUMO+1</sub> (one level above lowest unoccupied molecular orbital energy), d(C<sub>6</sub>-C<sub>5</sub>) (distance between C<sub>6</sub> and C<sub>5</sub> atoms in ligands), and TSA (total surface area) responsible for the classification. The insights extracted from the investigation developed and the chemical intuition enabled the design of sixteen new N-11-azaartemisinins (prediction set), moreover, models built with supervised machine learning methods were applied to this prediction set. The result of this application showed twelve new promising N-11-azaartemisinins for synthesis and biological evaluation. 展开更多
关键词 Antimalarial Design MEP Ligand-Receptor Interaction Supervised Machine Learning methods models Built with Supervised Machine Learning methods
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3-D Geological Modeling-Concept,Methods and Key Techniques 被引量:17
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作者 PAN Mao LI Zhaoliang +2 位作者 GAO Zhongbo YANG Yang WU Gengyu 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2012年第4期1031-1036,共6页
3-D geological modeling plays an increasingly important role in Petroleum Geology, Mining Geology and Engineering Geology. The complexity of geological conditions requires different modeling methods in different situa... 3-D geological modeling plays an increasingly important role in Petroleum Geology, Mining Geology and Engineering Geology. The complexity of geological conditions requires different modeling methods in different situations. This paper summarizes the general concept of geological modeling; compares the characteristics of borehole-based modeling, cross-section based modeling and multi- source interactive modeling; analyses key techniques in 3-D geological modeling; and highlights the main difficulties and directions of future studies. 展开更多
关键词 3-D geological modeling geological interpretation methods of modeling quality of models
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Modeling Methods and Test Verification of Root Insert Contact Interface for Wind Turbine Blade 被引量:1
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作者 Li Hui Wang Tongguang 《Transactions of Nanjing University of Aeronautics and Astronautics》 EI CSCD 2016年第1期9-15,共7页
Two modeling methods of the root insert for wind turbine blade are presented,i.e.,the local mesh optimization method(LMOM)and the global modeling method(GMM).Based on the optimized mesh of the local model for the meta... Two modeling methods of the root insert for wind turbine blade are presented,i.e.,the local mesh optimization method(LMOM)and the global modeling method(GMM).Based on the optimized mesh of the local model for the metal contact interface,LMOM is proposed to analyze the load path and stress distribution characteristics,while GMM is used to calculate and analyze the stress distribution characteristics of the resin layer established between the bushing and composite layers of root insert.To validate the GMM,a tension test is carried out.The result successfully shows that the shear strain expresses a similar strain distribution tendency with the GMM′s results. 展开更多
关键词 root insert modeling methods mesh optimization contact interface tension test
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Static output feedback stabilization for second-order singular systems using model reduction methods 被引量:1
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作者 Zheng WANG Yuhao CONG Xiulin HU 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2021年第3期457-466,共10页
In this paper,the static output feedback stabilization for large-scale unstable second-order singular systems is investigated.First,the upper bound of all unstable eigenvalues of second-order singular systems is deriv... In this paper,the static output feedback stabilization for large-scale unstable second-order singular systems is investigated.First,the upper bound of all unstable eigenvalues of second-order singular systems is derived.Then,by using the argument principle,a computable stability criterion is proposed to check the stability of secondorder singular systems.Furthermore,by applying model reduction methods to original systems,a static output feedback design algorithm for stabilizing second-order singular systems is presented.A simulation example is provided to illustrate the effectiveness of the design algorithm. 展开更多
关键词 second-order singular system static output feedback model reduction method argument principle
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Middle cerebral artery occlusion methods in rat versus mouse model of transient focal cerebral ischemic stroke 被引量:1
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作者 Seunghoon Lee Minkyung Lee +5 位作者 Yunkyung Hong Jinyoung Won Youngjeon Lee Sung-Goo Kang Kyu-Tae Chang Yonggeun Hong 《Neural Regeneration Research》 SCIE CAS CSCD 2014年第7期757-758,共2页
Experimental stroke research commonly employs focal cerebral ischemic rat models (Bederson et al., 1986a; Longa et al., 1989). In human patients, ischemic stroke typically results from thrombotic or embolic occlusio... Experimental stroke research commonly employs focal cerebral ischemic rat models (Bederson et al., 1986a; Longa et al., 1989). In human patients, ischemic stroke typically results from thrombotic or embolic occlusion of a major cerebral artery, usually the mid- dle cerebral artery (MCA). Experimental focal cerebral ischemia models have been employed to mimic human stroke (Durukan and Tatlisumak, 2007). Rodent models of focal cerebral ischemia that do not require craniotomy have been developed using intraluminal suture occlusion of the MCA (MCA occlusion, MCAO) (Rosamond et al., 2008). Furthermore, mouse MCAO models have been wide- ly used and extended to genetic studies of cell death or recovery mechanisms (Liu and McCullough, 2011). Genetically engineered mouse stroke models are particularly useful for evaluation of isch- emic pathophysiology and the design of new prophylactic, neuro- protective, and therapeutic agents and interventions (Armstead et al., 2010). During the past two decades, MCAO surgical techniques have been developed that do not reveal surgical techniques for mouse MCAO model engineering. Therefore, we compared MCAO surgical methods in rats and mice. 展开更多
关键词 MCAO CCA Middle cerebral artery occlusion methods in rat versus mouse model of transient focal cerebral ischemic stroke
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Displacement Field Variable Modeling Method for Heterogeneous Materials in Wind Power Blade Core Plates
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作者 Ying He Yongshuang Wen +3 位作者 Xuemei Huang Leian Zhang Rujun Song Chang Li 《Energy Engineering》 EI 2023年第2期445-459,共15页
In order to study the mechanical properties of the heterogeneous core plate of the wind turbine blade,a modeling method of the core plate based on displacement field variables is proposed.Firstly,the wind turbine blad... In order to study the mechanical properties of the heterogeneous core plate of the wind turbine blade,a modeling method of the core plate based on displacement field variables is proposed.Firstly,the wind turbine blade core plate was modeled according to the theory of modeling heterogeneous material characteristics.Secondly,the three-point bending finite element model of the wind turbine blade core plate was solved by the display dynamic equation to obtain the deformation pattern and force-deformation relationship of the core plate.Finally,the three-point bending static test was conducted to compare with the finite element analysis.The test results show that:the damage form of the wind turbine blade core plate includes elasticity,yield,and failure stages.The main failure modes are plastic deformation,core material collapse,and panel-core delamination.The failure load measured by the test is 1.59 kN,which is basically consistent with the load-displacement result obtained by the simulation,with a difference of only 1.9%,which verifies the validity and reliability of the model.It provides data references for wind turbine blade structure design. 展开更多
关键词 Blade core plate heterogeneous material modeling method finite element analysis PVC material
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Undetermined modeling methods for predicting the transition of fresh and salt water interface
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《Global Geology》 1998年第1期82-82,共1页
关键词 Undetermined modeling methods for predicting the transition of fresh and salt water interface
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A Study on the Factors Influencing Value-Added in the Cruise Ship Value Chain Based on the DEMATEL-ISM Model
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作者 SUN Yan ZHANG Shenqing 《Management Studies》 2023年第5期294-305,共12页
Cruise value chain is to take the exchange of cruise products and services as the core in a certain spatial scope,and enterprises with core advantages within or between different industries establish associations in a... Cruise value chain is to take the exchange of cruise products and services as the core in a certain spatial scope,and enterprises with core advantages within or between different industries establish associations in accordance with certain technical and economic conditions,so as to realise the multi-dimensional extension and value appreciation of the cruise value chain in the vertical and horizontal links,and ultimately establish a chain-network type of enterprise strategic alliance.This paper tries to analyse the value-added factors of the cruise industry chain by constructing a multi-level hierarchical structural model with reference to the influencing factor analysis methods of relevant literature-DEMATEL(Decision Making Experiment and Evaluation Experiment)and ISM(Interpretative Structural Model).The study shows that the innovation and scale value-added module in the upstream of the cruise industry chain is the core module of value-added of the whole cruise industry chain,and the value-added mainly originates from the design and manufacturing of cruise ships.The middle reaches of the cruise industry chain are mainly cruise operation enterprises,and the specificity of cruise operation determines that its brand value-added is mainly accomplished through the global layout of multinational corporations,and the cruise brand is able to drive the consumption demand and has value-added ability.The downstream value-added of the cruise industry chain is mainly realised through the increase in profits of cruise tourism service products. 展开更多
关键词 cruise ship value chain decision making experiment and evaluation experimental method DEMATEL explanatory structural modelling method ISM
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Application of the Sub-Model Method in the Engine Strength Analysis 被引量:9
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作者 邹文胜 左正兴 +1 位作者 冯慧华 廖日东 《Journal of Beijing Institute of Technology》 EI CAS 2001年第3期260-265,共6页
On the basis of introducing the fundamental theory and the basic analysis steps of the sub model method, the strength of the new engine complex assembly structure was analyzed according to the properties of the engin... On the basis of introducing the fundamental theory and the basic analysis steps of the sub model method, the strength of the new engine complex assembly structure was analyzed according to the properties of the engine structures, some of the key parts of the engine were analyzed with refined mesh by sub model method and the error of the FEM solution was estimated by the extrapolation method. The example showed that the sub model can not only analyze the comlex structures without the restriction of the software and hardware of the computers, but get the more precise analysis result also. This method is more suitable for the strength analysis of the complex assembly structure. 展开更多
关键词 sub model method ENGINE strength analysis FEM
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Development of Fixture Layout Optimization for Thin-Walled Parts:A Review
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作者 Changhui Liu Jing Wang +3 位作者 Binghai Zhou Jianbo Yu Ying Zheng Jianfeng Liu 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2024年第1期15-39,共25页
An increasing number of researchers have researched fixture layout optimization for thin-walled part assembly during the past decades.However,few papers systematically review these researches.By analyzing existing lit... An increasing number of researchers have researched fixture layout optimization for thin-walled part assembly during the past decades.However,few papers systematically review these researches.By analyzing existing literature,this paper summarizes the process of fixture layout optimization and the methods applied.The process of optimization is made up of optimization objective setting,assembly variation/deformation modeling,and fixture layout optimization.This paper makes a review of the fixture layout for thin-walled parts according to these three steps.First,two different kinds of optimization objectives are introduced.Researchers usually consider in-plane variations or out-of-plane deformations when designing objectives.Then,modeling methods for assembly variation and deformation are divided into two categories:Mechanism-based and data-based methods.Several common methods are discussed respectively.After that,optimization algorithms are reviewed systematically.There are two kinds of optimization algorithms:Traditional nonlinear programming and heuristic algorithms.Finally,discussions on the current situation are provided.The research direction of fixture layout optimization in the future is discussed from three aspects:Objective setting,improving modeling accuracy and optimization algorithms.Also,a new research point for fixture layout optimization is discussed.This paper systematically reviews the research on fixture layout optimization for thin-walled parts,and provides a reference for future research in this field. 展开更多
关键词 Thin-walled parts Assembly quality Fixture layout optimization modeling methods Optimization algorithms
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Weighted Forwarding in Graph Convolution Networks for Recommendation Information Systems
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作者 Sang-min Lee Namgi Kim 《Computers, Materials & Continua》 SCIE EI 2024年第2期1897-1914,共18页
Recommendation Information Systems(RIS)are pivotal in helping users in swiftly locating desired content from the vast amount of information available on the Internet.Graph Convolution Network(GCN)algorithms have been ... Recommendation Information Systems(RIS)are pivotal in helping users in swiftly locating desired content from the vast amount of information available on the Internet.Graph Convolution Network(GCN)algorithms have been employed to implement the RIS efficiently.However,the GCN algorithm faces limitations in terms of performance enhancement owing to the due to the embedding value-vanishing problem that occurs during the learning process.To address this issue,we propose a Weighted Forwarding method using the GCN(WF-GCN)algorithm.The proposed method involves multiplying the embedding results with different weights for each hop layer during graph learning.By applying the WF-GCN algorithm,which adjusts weights for each hop layer before forwarding to the next,nodes with many neighbors achieve higher embedding values.This approach facilitates the learning of more hop layers within the GCN framework.The efficacy of the WF-GCN was demonstrated through its application to various datasets.In the MovieLens dataset,the implementation of WF-GCN in LightGCN resulted in significant performance improvements,with recall and NDCG increasing by up to+163.64%and+132.04%,respectively.Similarly,in the Last.FM dataset,LightGCN using WF-GCN enhanced with WF-GCN showed substantial improvements,with the recall and NDCG metrics rising by up to+174.40%and+169.95%,respectively.Furthermore,the application of WF-GCN to Self-supervised Graph Learning(SGL)and Simple Graph Contrastive Learning(SimGCL)also demonstrated notable enhancements in both recall and NDCG across these datasets. 展开更多
关键词 Deep learning graph neural network graph convolution network graph convolution network model learning method recommender information systems
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Technical Analysis of Safety Monitoring and Evaluation of Existing Bridge Structures
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作者 Jiang Feng Qing Yang 《Journal of World Architecture》 2024年第2期17-24,共8页
Bridge structure safety monitoring and assessment has been a great concern for the government and the public,and bridge structure safety monitoring and assessment technology has also developed rapidly over the years.I... Bridge structure safety monitoring and assessment has been a great concern for the government and the public,and bridge structure safety monitoring and assessment technology has also developed rapidly over the years.Its goal is to equip relevant organizations and professionals with a deep understanding of the principles and practical applications of these technologies.By doing so,it seeks to facilitate the effective implementation of safety monitoring and assessment practices in bridge management.Ultimately,the aim is to foster the constructive development of road and bridge construction and operational management at a broader level. 展开更多
关键词 Bridge structure Safety monitoring Defect diagnosis Theoretical modeling method
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An improved dynamic model for a silicone material beam with large deformation 被引量:8
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作者 Qiping Xu Jinyang Liu 《Acta Mechanica Sinica》 SCIE EI CAS CSCD 2018年第4期744-753,共10页
Dynamic modeling for incompressible hyperelastic materials with large deformation is an important issue in biomimetic applications. The previously proposed lower-order fully parameterized absolute nodal coordinate for... Dynamic modeling for incompressible hyperelastic materials with large deformation is an important issue in biomimetic applications. The previously proposed lower-order fully parameterized absolute nodal coordinate formulation(ANCF) beam element employs cubic interpolation in the longitudinal direction and linear interpolation in the transverse direction, whereas it cannot accurately describe the large bending deformation. On this account, a novel modeling method for studying the dynamic behavior of nonlinear materials is proposed in this paper. In this formulation, a higher-order beam element characterized by quadratic interpolation in the transverse directions is used in this investigation. Based on the Yeoh model and volumetric energy penalty function, the nonlinear elastic force matrices are derived within the ANCF framework. The feasibility and availability of the Yeoh model are verified through static experiment of nonlinear incompressible materials. Furthermore,dynamic simulation of a silicone cantilever beam under the gravity force is implemented to validate the superiority of the higher-order beam element. The simulation results obtained based on the Yeoh model by employing three different ANCF beam elements are compared with the result achieved from a commercial finite element package as the reference result. It is found that the results acquired utilizing a higher-order beam element are in good agreement with the reference results,while the results obtained using a lower-order beam element are different from the reference results. In addition, the stiffening problem caused by volumetric locking can be resolved effectively by applying a higher-order beam element. It is concluded that the proposed higher-order beam element formulation has satisfying accuracy in simulating dynamic motion process of the silicone beam. 展开更多
关键词 Dynamic modeling Nonlinear incompressible hyperelastic materials Novel modeling method Yeoh model Absolute nodal coordinate formulation
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Establishing a rat model of spastic cerebral palsy by targeted ethanol injection 被引量:5
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作者 Yadong Yu Liang Li +2 位作者 Xinzhong Shao Fangtao Tian Qinglu Sun 《Neural Regeneration Research》 SCIE CAS CSCD 2013年第34期3255-3262,共8页
Spastic cerebral palsy is generally considered to result from cerebral cortical or pyramidal tract damage. Here, we precisely targeted the left pyramidal tract of 2-month-old Sprague-Dawley rats placed on a stereotaxi... Spastic cerebral palsy is generally considered to result from cerebral cortical or pyramidal tract damage. Here, we precisely targeted the left pyramidal tract of 2-month-old Sprague-Dawley rats placed on a stereotaxic instrument under intraperitoneal anesthesia. Based on the rat brain stereotaxic map, a 1-mm hole was made 10 mm posterior to bregma and 0.8 mm left of sagittal suture. A microsyringe was inserted perpendicularly to the surface of the brain to a depth of 9.7 mm, and 15 wL of ethanol was slowly injected to establish a rat model of spastic cerebral palsy. After modeling, the rats appeared to have necrotic voids in the pyramidal tract and exhibited typical signs and symptoms of flexion spasms that lasted for a long period of time. These findings indicate that this is an effective and easy method of establishing a rat model of spastic cerebral palsy with good reproducibility. Ethanol as a chemical ablation agent specifically and thoroughly damages the py- ramidal tract, and therefore, the animals display flexion spasms, which are a typical symptom of the disease. 展开更多
关键词 neural regeneration brain injury spastic cerebral palsy animal models ETHANOL pyramidal tractstereotaxic instrument targeted injection modeling methods NEUROREGENERATION
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Modeling Method for Flexible Energy Behaviors in CNC Machining Systems 被引量:4
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作者 Yu-Feng Li Yu-Lin Wang +2 位作者 Yan He Yan Wang Shen-Long Lin 《Chinese Journal of Mechanical Engineering》 SCIE EI CAS CSCD 2018年第1期156-166,共11页
CNC machining systems are inevitably confronted with frequent changes in energy behaviors because they are widely used to perform various machining tasks. It is a challenge to understand and analyze the flexible energ... CNC machining systems are inevitably confronted with frequent changes in energy behaviors because they are widely used to perform various machining tasks. It is a challenge to understand and analyze the flexible energy behaviors in CNC machining systems. A method to model flexible energy behaviors in CNC machining systems based on hierarchical objected-oriented Petri net(HOONet) is proposed. The structure of the HOONet is constructed of a high-level model and detail models. The former is used to model operational states for CNC machining systems, and the latter is used to analyze the component models for operational states. The machining parameters having great impacts on energy behaviors in CNC machining systems are declared with the data dictionary in HOONet models. A case study based on a CNC lathe is presented to demonstrate the proposed modeling method. The results show that it is effective for modeling flexible energy behaviors and providing a fine-grained description to quantitatively analyze the energy consumption of CNC machining systems. 展开更多
关键词 Energy behaviors CNC machining systems modeling method HOONet
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A general model for trailing edge serrations simulation on wind turbine airfoils 被引量:3
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作者 Huijing Cao Mingming Zhang +1 位作者 Yinan Zhang Teng Zhou 《Theoretical & Applied Mechanics Letters》 CSCD 2021年第4期236-244,共9页
Trailing edge serrations(TESs)are capable of noticeably suppressing the turbulent trailing edge noise induced by rotating wind turbine blades and become an integral part of a blade.However,the challenges involved in t... Trailing edge serrations(TESs)are capable of noticeably suppressing the turbulent trailing edge noise induced by rotating wind turbine blades and become an integral part of a blade.However,the challenges involved in the dimensional design of serration height 2 h,wavelengthλand flap angleϕare yet to be dealt with in a satisfactory manner.To address the problem,a general model for simulating the effects of serrations on the hydrodynamic and aeroacoustic performance is proposed due to its ease of use and relatively low requirements for user input.The solid serrations are replicated by momentum sources calculated by its aerodynamic forces.Then,a case relevant to wind turbine airfoil is examined,a hybrid improved delay detached eddy simulation(IDDES)method coupled with FW-H integration is deployed to obtain the flow features and far-field sound pressure level.It is found that the modeling method could reproduce the flow field and noise as serrated airfoil. 展开更多
关键词 Wind turbine airfoil Trailing edge serrations Trailing edge noise modeling method
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Determination of dynamic capillary effect on two-phase flow in porous media: A perspective from various methods 被引量:2
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作者 Jian-Chao Cai Yin Chen +3 位作者 Jun-Cheng Qiao Liu Yang Jian-Hui Zeng Chen-Hao Sun 《Petroleum Science》 SCIE CAS CSCD 2022年第4期1641-1652,共12页
The relationship between capillary pressure and saturation plays a critical role in the characterization of two-phase flow and transport in aquifers and oil reservoirs. This relationship is usually determined under th... The relationship between capillary pressure and saturation plays a critical role in the characterization of two-phase flow and transport in aquifers and oil reservoirs. This relationship is usually determined under the static condition, where capillary pressure is the only function of saturation. However,considerable experiments have suggested that the dependence of capillary pressure on desaturation rate is under the dynamic condition. Thus, a more general description of capillary pressure that includes dynamic capillary effect has been approved widely. A comprehensive understanding of the dynamic capillary effect is needed for the investigation of the two-phase flow in porous media by various methods. In general, dynamic capillary effect in porous media can be studied through the laboratory experiment, pore-to macro-scale modeling, and artificial neural network. Here, main principle and research procedures of each method are reviewed in detail. Then, research progress, disadvantages and advantages are discussed, respectively. In addition, upscaling study from pore-to macro-scale are introduced, which explains the difference between laboratory experiment and pore-scale modeling. At last, several future perspectives and recommendations for optimal solution of dynamic capillary effect are presented. 展开更多
关键词 Dynamic capillary effect Capillary pressure Two-phase flow modeling method
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Numerical Method for Modeling the Constitutive Relationship of Sand under Different Stress Paths 被引量:4
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作者 Ren Qingyang Wang Jingtao 《Journal of China University of Geosciences》 SCIE CSCD 2005年第3期268-270,共3页
A numerical method was used in order to establish the constitutive relationship of sands under different stress paths, Firstly, based on the numerical method modeling the constitutive law of sands, the elastoplastic c... A numerical method was used in order to establish the constitutive relationship of sands under different stress paths, Firstly, based on the numerical method modeling the constitutive law of sands, the elastoplastic constitutive relationship of sand was established for three paths: the constant proportion of principle stress path, the conventional triaxial compression (CTC) path, and the p=constant (TC) path. The yield lines of plastic volumetric strain and plastic generalized shear strain were given. Through visualization, the three dimensional surface of the stress-strain relationship in the whole stress field (p, q) obtained under the three paths was plotted. Also, by comparing the stress-strain surfaces and yield locus of the three stress paths, the differences were found to be obvious, which demonstrates that the influence of the stress paths on constitutive law was not neglected. The numerical modeling method overcame the difficulty of finding an analytical expression for plastic potential. The results simulated the experimental data with an accuracy of 90% on average, so the constitutive model established in this paper provides an effective constitutive equation for this kind of engineering, reflecting the effect of practical stress paths that occur in sands. 展开更多
关键词 constitutive relationship numerical method modeling stress path
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A review of discrete modeling techniques for fracturing processes in discontinuous rock masses 被引量:63
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作者 A.Lisjak G.Grasselli 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2014年第4期301-314,共14页
The goal of this review paper is to provide a summary of selected discrete element and hybrid finitediscrete element modeling techniques that have emerged in the field of rock mechanics as simulation tools for fractur... The goal of this review paper is to provide a summary of selected discrete element and hybrid finitediscrete element modeling techniques that have emerged in the field of rock mechanics as simulation tools for fracturing processes in rocks and rock masses. The fundamental principles of each computer code are illustrated with particular emphasis on the approach specifically adopted to simulate fracture nucleation and propagation and to account for the presence of rock mass discontinuities. This description is accompanied by a brief review of application studies focusing on laboratory-scale models of rock failure processes and on the simulation of damage development around underground excavations. 展开更多
关键词 Rock fracturing Numerical modeling Discrete element method (DEM)Finite-discrete element method (FDEM)
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3D random Voronoi grain-based models for simulation of brittle rock damage and fabric-guided micro-fracturing 被引量:31
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作者 E.Ghazvinian M.S.Diederichs R.Quey 《Journal of Rock Mechanics and Geotechnical Engineering》 SCIE CSCD 2014年第6期506-521,共16页
A grain-based distinct element model featuring three-dimensional (3D) Voronoi tessellations (randompoly-crystals) is proposed for simulation of crack damage development in brittle rocks. The grainboundaries in pol... A grain-based distinct element model featuring three-dimensional (3D) Voronoi tessellations (randompoly-crystals) is proposed for simulation of crack damage development in brittle rocks. The grainboundaries in poly-crystal structure produced by Voronoi tessellations can represent flaws in intact rockand allow for numerical replication of crack damage progression through initiation and propagation ofmicro-fractures along grain boundaries. The Voronoi modelling scheme has been used widely in the pastfor brittle fracture simulation of rock materials. However the difficulty of generating 3D Voronoi modelshas limited its application to two-dimensional (2D) codes. The proposed approach is implemented inNeper, an open-source engine for generation of 3D Voronoi grains, to generate block geometry files thatcan be read directly into 3DEC. A series of Unconfined Compressive Strength (UCS) tests are simulated in3DEC to verify the proposed methodology for 3D simulation of brittle fractures and to investigate therelationship between each micro-parameter and the model's macro-response. The possibility of numericalreplication of the classical U-shape strength curve for anisotropic rocks is also investigated innumerical UCS tests by using complex-shaped (elongated) grains that are cemented to one another alongtheir adjoining sides. A micro-parameter calibration procedure is established for 3D Voronoi models foraccurate replication of the mechanical behaviour of isotropic and anisotropic (containing a fabric) rocks. 2014 Institute of Rock and Soil Mechanics, Chinese Academy of Sciences. Production and hosting byElsevier B.V. All rights reserved. 展开更多
关键词 Numerical modelling 3D Voronoi tessellation Discrete element method Grain-based model Crack damage thresholds Fabric-guided micro-fracturing Anisotropy
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