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AHermitian C^(2) Differential Reproducing Kernel Interpolation Meshless Method for the 3D Microstructure-Dependent Static Flexural Analysis of Simply Supported and Functionally Graded Microplates
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作者 Chih-Ping Wu Ruei-Syuan Chang 《Computer Modeling in Engineering & Sciences》 SCIE EI 2024年第10期917-949,共33页
This work develops a Hermitian C^(2) differential reproducing kernel interpolation meshless(DRKIM)method within the consistent couple stress theory(CCST)framework to study the three-dimensional(3D)microstructuredepend... This work develops a Hermitian C^(2) differential reproducing kernel interpolation meshless(DRKIM)method within the consistent couple stress theory(CCST)framework to study the three-dimensional(3D)microstructuredependent static flexural behavior of a functionally graded(FG)microplate subjected to mechanical loads and placed under full simple supports.In the formulation,we select the transverse stress and displacement components and their first-and second-order derivatives as primary variables.Then,we set up the differential reproducing conditions(DRCs)to obtain the shape functions of the Hermitian C^(2) differential reproducing kernel(DRK)interpolant’s derivatives without using direct differentiation.The interpolant’s shape function is combined with a primitive function that possesses Kronecker delta properties and an enrichment function that constituents DRCs.As a result,the primary variables and their first-and second-order derivatives satisfy the nodal interpolation properties.Subsequently,incorporating ourHermitianC^(2)DRKinterpolant intothe strong formof the3DCCST,we develop a DRKIM method to analyze the FG microplate’s 3D microstructure-dependent static flexural behavior.The Hermitian C^(2) DRKIM method is confirmed to be accurate and fast in its convergence rate by comparing the solutions it produces with the relevant 3D solutions available in the literature.Finally,the impact of essential factors on the transverse stresses,in-plane stresses,displacements,and couple stresses that are induced in the loaded microplate is examined.These factors include the length-to-thickness ratio,the material length-scale parameter,and the inhomogeneity index,which appear to be significant. 展开更多
关键词 Consistent/modified couple stress theory differential reproducing kernel methods microplates point collocation methods static flexural 3d microstructure-dependent analysis
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Quasi-3D Numerical Simulation of Tidal Hydrodynamic Field 被引量:1
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作者 宋志尧 薛鸿超 +2 位作者 严以新 茅丽华 徐福敏 《China Ocean Engineering》 SCIE EI 1999年第3期265-276,共12页
Based on the 2D horizontal plane numerical model, a quasi-3D numerical model is established for coastal regions of shallow water. The characteristics of this model are that the velocity profiles;can be obtained at the... Based on the 2D horizontal plane numerical model, a quasi-3D numerical model is established for coastal regions of shallow water. The characteristics of this model are that the velocity profiles;can be obtained at the same time when the equations of the value of difference between the horizontal current velocity and its depth-averaged velocity in the vertical direction are solved and the results obtained are consistent with the results of the 2D, model. The circulating flow in the rectangular area induced by wind is simulated and applied to the tidal flow field of the radial sandbanks in the South Yellow Sea. The computational results from this quasi-3D model are in good agreement with analytical results and observed data. The solution of the finite difference equations has been found to be stable, and the model is simple, effective and practical. 展开更多
关键词 tidal hydrodynamic field quasi-3d numerical model 2d numerical model velocity profile numerical simulation
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Polarization sensitive photodetector based on quasi-1D ZrSe_(3) 被引量:1
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作者 Xingang Wang Tao Xiong +5 位作者 Kaiyao Xin Juehan Yang Yueyang Liu Zeping Zhao Jianguo Liu and Zhongming Wei 《Journal of Semiconductors》 EI CAS CSCD 2022年第10期39-49,共11页
The in-plane anisotropy of transition metal trichalcogenides(MX_(3))has a significant impact on the molding of materi-als and MX_(3) is a perfect choice for polarized photodetectors.In this study,the crystal structure... The in-plane anisotropy of transition metal trichalcogenides(MX_(3))has a significant impact on the molding of materi-als and MX_(3) is a perfect choice for polarized photodetectors.In this study,the crystal structure,optical and optoelectronic aniso-tropy of one kind of quasi-one-dimensional(1D)semiconductors,ZrSe_(3),are systematically investigated through experiments and theoretical studies.The ZrSe_(3)-based photodetector shows impressive wide spectral response from ultraviolet(UV)to near in-frared(NIR)and exhibits great optoelectrical properties with photoresponsivity of 11.9 mA·W^(-1) and detectivity of~106 at 532 nm.Moreover,the dichroic ratio of ZrSe_(3)-based polarized photodetector is around 1.1 at 808 nm.This study suggests that ZrSe_(3) has potential in optoelectronic applications and polarization detectors. 展开更多
关键词 quasi-1d ZrSe_(3) polarization-sensitive
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The Deformation Analysis of the 3D Alignment Control Network Based on the Multiple Congruence Models
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作者 Xudong ZHANG Wenjun CHEN +5 位作者 Xiaodong ZHANG Yajun ZHENG Bin ZHANG Shaoming WANG Jiandong YUAN Guozhen SUN 《Journal of Geodesy and Geoinformation Science》 CSCD 2023年第2期21-31,共11页
In the construction and maintenance of particle accelerators,all the accelerator elements should be installed in the same coordinate system,only in this way could the devices in the actual world be consistent with the... In the construction and maintenance of particle accelerators,all the accelerator elements should be installed in the same coordinate system,only in this way could the devices in the actual world be consistent with the design drawings.However,with the occurrence of the movements of the reinforced concrete cover plates at short notice or building deformations in the long term,the control points upon the engineering structure will be displaced,and the fitness between the subnetwork and the global control network may be irresponsible.Therefore,it is necessary to evaluate the deformations of the 3D alignment control network.Different from the extant investigations,in this paper,to characterize the deformations of the control network,all of the congruent models between the points measured in different epochs have been identified,and the congruence model with the most control points is considered as the primary or fundamental model,the remaining models are recognized as the additional ones.Furthermore,the discrepancies between the primary S-transformation parameters and the additional S-transformation parameters can reflect the relative movements of the additional congruence models.Both the iterative GCT method and the iterative combinatorial theory are proposed to detect multiple congruence models in the control network.Considering the actual work of the alignment,it is essential to identify the competitive models in the monitoring network,which can provide us a hint that,even the fitness between the subnetwork and the global control network is good,there are still deformations which may be ignored.The numerical experiments show that the suggested approaches can describe the deformation of the 3D alignment control network roundly. 展开更多
关键词 similarity transformation 3d alignment control network deformation analysis hypothesis testing iterative global congruence test iterative combinatorial theory
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3D Fractals, Axiom of Algebra (Δn)n = +1
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作者 Emmanuel Cadier Anaxhaoza 《Advances in Pure Mathematics》 2023年第7期473-481,共9页
After having laid down the Axiom of Algebra, bringing the creation of the square root of -1 by Euler to the entire circle and thus authorizing a simple notation of the nth roots of unity, the author uses it to organiz... After having laid down the Axiom of Algebra, bringing the creation of the square root of -1 by Euler to the entire circle and thus authorizing a simple notation of the nth roots of unity, the author uses it to organize homogeneous divisions of the limited development of the exponential function, that is opening the way to the use of a whole bunch of new primary functions in Differential Calculus. He then shows how new supercomplex products in dimension 3 make it possible to calculate fractals whose connexity depends on the product considered. We recall the geometry of convex polygons and regular polygons. 展开更多
关键词 PSYCHEdELIC Axiom of Algebra (AA) Generalization of the Sign Quantum Physics Self-derivative Exponential Cosinus SINUS Stable Groups for derivation Operation differential Calculation theory Supercomplex Products Regular Polygons 3d Fractals Mathematical Imagery Geometry of Regular Polygons
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Shale oil development techniques and application based on ternary-element storage and flow concept in Jiyang Depression,Bohai Bay Basin,East China
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作者 YANG Yong 《Petroleum Exploration and Development》 SCIE 2024年第2期380-393,共14页
The ternary-element storage and flow concept for shale oil reservoirs in Jiyang Depression of Bohai Bay Basin,East China,was proposed based on the data of more than 10000 m cores and the production of more than 60 hor... The ternary-element storage and flow concept for shale oil reservoirs in Jiyang Depression of Bohai Bay Basin,East China,was proposed based on the data of more than 10000 m cores and the production of more than 60 horizontal wells.The synergy of three elements(storage,fracture and pressure)contributes to the enrichment and high production of shale oil in Jiyang Depression.The storage element controls the enrichment of shale oil;specifically,the presence of inorganic pores and fractures,as well as laminae of lime-mud rocks,in the saline lake basin,is conducive to the storage of shale oil,and the high hydrocarbon generating capacity and free hydrocarbon content are the material basis for high production.The fracture element controls the shale oil flow;specifically,natural fractures act as flow channels for shale oil to migrate and accumulate,and induced fractures communicate natural fractures to form complex fracture network,which is fundamental to high production.The pressure element controls the high and stable production of shale oil;specifically,the high formation pressure provides the drive force for the migration and accumulation of hydrocarbons,and fracturing stimulation significantly increases the elastic energy of rock and fluid,improves the imbibition replacement of oil in the pores/fractures,and reduces the stress sensitivity,guaranteeing the stable production of shale oil for a long time.Based on the ternary-element storage and flow concept,a 3D development technology was formed,with the core techniques of 3D well pattern optimization,3D balanced fracturing,and full-cycle optimization of adjustment and control.This technology effectively guides the production and provides a support to the large-scale beneficial development of shale oil in Jiyang Depression. 展开更多
关键词 Jiyang depression continental shale oil reservoir space fracturing stimulation fracture network storage and flow theory 3d development high and stable production
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Static and dynamic stability responses of multilayer functionally graded carbon nanotubes reinforced composite nanoplates via quasi 3D nonlocal strain gradient theory
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作者 Ahmed Amine Daikh Mohamed Sid Ahmed Houari +2 位作者 Mohamed Ouejdi Belarbi Salwa A.Mohamed Mohamed A.Eltaher 《Defence Technology(防务技术)》 SCIE EI CAS CSCD 2022年第10期1778-1809,共32页
This manuscript presents the comprehensive study of thickness stretching effects on the free vibration,static stability and bending of multilayer functionally graded(FG)carbon nanotubes reinforced composite(CNTRC)nano... This manuscript presents the comprehensive study of thickness stretching effects on the free vibration,static stability and bending of multilayer functionally graded(FG)carbon nanotubes reinforced composite(CNTRC)nanoplates.The nanoscale and microstructure influences are considered through a modified nonlocal strain gradient continuum model.Based on power-law functions,four different patterns of CNTs distribution are considered in this analysis,a uniform distribution UD,FG-V CNTRC,FG-X CNTRC,and FG-O CNTRC.A 3D kinematic shear deformation theory is proposed to include the stretching influence,which is neglected in classical theories.Hamilton's principle is applied to derive the governing equations of motion and associated boundary conditions.Analytical solutions are developed based on Galerkin method to solve the governing equilibrium equations based on the generalized higher-order shear deformation theory and the nonlocal strain gradient theory and get the static bending,buckling loads,and natural frequencies of nanoplates.Verification with previous works is presented.A detailed parametric analysis is carried out to highlight the impact of thickness stretching,length scale parameter(nonlocal),material scale parameter(gradient),CNTs distribution pattern,geometry of the plate,various boundary conditions and the total number of layers on the stresses,deformation,critical buckling loads and vibration frequencies.Many new results are also reported in the current study,which will serve as a benchmark for future research. 展开更多
关键词 3d shear deformation theory Free vibration Buckling Bending Galerkin method Functionally graded nanotube Nonlocal strain gradient theory
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Linear stability theory with the equivalent spanwise wavenumber correction in 3D boundary layers
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作者 Runjie SONG Shaolong ZHANG Jianxin LIU 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2019年第3期407-420,共14页
The prediction on small disturbance propagation in complex three-dimensional(3D) boundary layers is of great significance in transition prediction methodology, especially in the aircraft design. In this paper, the lin... The prediction on small disturbance propagation in complex three-dimensional(3D) boundary layers is of great significance in transition prediction methodology, especially in the aircraft design. In this paper, the linear stability theory(LST) with the equivalent spanwise wavenumber correction(ESWC) is proposed in order to accurately predict the linear evolution of a disturbance in a kind of boundary layer flow with a vital variation in the spanwise direction. The LST with the ESWC takes not only the scale of the mean flow with the significant variation but also the wavenumber evolution of the disturbance itself. Compared with the conventional LST, the results obtained by the new method are in excellent agreement with those of the numerical simulations. The LST with the ESWC is an effective method on the prediction of the disturbance evolution in 3D boundary layers, which improves the prediction of the LST in the applications to complex 3D boundary layers greatly. 展开更多
关键词 three-dimensional(3d)boundary layer prediction of dISTURBANCE propagation EQUIVALENT spanwise WAVENUMBER LINEAR stability theory(LST) numerical simulation
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High-Frequency Guided Wave Scattering by a Partly Through-Thickness Hole Based on 3D Theory
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作者 张海燕 徐建 马世伟 《Chinese Physics Letters》 SCIE CAS CSCD 2015年第8期94-97,共4页
We present a theoretical investigation of the scattering of high frequency S0 Lamb mode from a circular blind hole defect in a plate based on the 3D theory. The SO wave is incident at the frequency above the A1 mode c... We present a theoretical investigation of the scattering of high frequency S0 Lamb mode from a circular blind hole defect in a plate based on the 3D theory. The SO wave is incident at the frequency above the A1 mode cut-off frequency, in which the popular approximate plate theories are inapplicable. Due to the non-symmetric blind hole defect, the scattered fields will contain higher order converted modes in addition to the fundamental SO and AO modes. The far-field scattering amplitudes of various propagating Lamb modes for different hole sizes are inspected. The results are compared with those of lower frequencies and some different phenomena are found. Two-dimensional Fourier transform (2DFT) results of transient scattered Lamb and SH wave signals agree well with the analytical dispersion curves, which check the validity of the solutions from another point of view. 展开更多
关键词 High-Frequency Guided Wave Scattering by a Partly Through-Thickness Hole Based on 3d theory
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考虑平稳风修正和塔架干扰的风力机叶片3-D风场模拟 被引量:2
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作者 柯世堂 曹九发 +1 位作者 王珑 王同光 《南京航空航天大学学报》 EI CAS CSCD 北大核心 2015年第1期153-159,共7页
为准确模拟风力机纵向、横向和垂直向的3-D随机风场,以南京航空航天大学自主研发的NH1500风力机为例,首先采用考虑沿高度变化的指数模型、塔影效应影响的潜流模型和上游风机尾流影响的涡流粘度模型对平稳风进行修正。然后基于空间变化... 为准确模拟风力机纵向、横向和垂直向的3-D随机风场,以南京航空航天大学自主研发的NH1500风力机为例,首先采用考虑沿高度变化的指数模型、塔影效应影响的潜流模型和上游风机尾流影响的涡流粘度模型对平稳风进行修正。然后基于空间变化的改进Von Karman风谱模型,结合谐波叠加法模拟风力机的来流脉动风速时程,再利用改进的叶素-动量理论获得考虑叶片旋转效应和塔架-叶片相干效应的风力机纵向、横向和垂直向3-D随机风场。该方法充分考虑风力机风场模拟的外界干扰因素和自身特性,提高了风力机系统风场模拟的准确度。算例分析表明,本文方法可以准确地模拟给定风环境的风力机系统3-D风场。 展开更多
关键词 风力机 3-d风场模拟 平稳风修正 塔架干扰 改进的叶素-动量理论
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面波有限频率法3-D灵敏度核函数的计算
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作者 刘魁 程先琼 +1 位作者 朱介寿 孔春玉 《成都理工大学学报(自然科学版)》 CAS CSCD 北大核心 2007年第3期340-347,共8页
高分辨率面波成像应克服射线理论的高频近似假设,考虑有限频率效应。该文给出了一种计算面波有限频率3-D灵敏度核函数的方法。该方法可直接计算球壳层状地球模型中面波振型特征值和特征函数,而不再需要采用球化平变换来近似计算球壳层... 高分辨率面波成像应克服射线理论的高频近似假设,考虑有限频率效应。该文给出了一种计算面波有限频率3-D灵敏度核函数的方法。该方法可直接计算球壳层状地球模型中面波振型特征值和特征函数,而不再需要采用球化平变换来近似计算球壳层状地球模型中面波频散参数。作者计算了相位延迟、振幅扰动和群到时延迟的3-D灵敏度核函数,并对面波有限频率效应进行了讨论。分析结果显示:面波相位延迟的3-D灵敏度核函数同2-D体波走时的核函数形状类似,说明面波具有二维传播特性。对相速度数据而言,Fresnel带方法适用于低频面波的反演,射线方法适用于高频面波的反演,而对于中等频率的面波反演应采用有限频率方法。频率的高低是相对于所要取得的分辨率而言的。在反演地壳上地幔细结构方面,群频散数据更具有优越性;然而,群到时延迟核函数的极强的旁瓣可能使得反演变得不稳定。 展开更多
关键词 有限频率 3-d灵敏度核函数 Frcsncl带方法 射线理论
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3D刚体摆姿态平衡流形的稳定性研究 被引量:1
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作者 张健丽 戈新生 《北京信息科技大学学报(自然科学版)》 2014年第1期31-36,共6页
针对3自由度(3D,3-Degrees)刚体摆姿态平衡流形的稳定性问题进行了研究。利用3-2-1欧拉姿态角的描述方式建立了3D刚体摆的姿态动力学方程和运动学方程,并对其数学模型进行了姿态约化;由3D刚体摆的约化方程解得了4组彼此不相交的一维平... 针对3自由度(3D,3-Degrees)刚体摆姿态平衡流形的稳定性问题进行了研究。利用3-2-1欧拉姿态角的描述方式建立了3D刚体摆的姿态动力学方程和运动学方程,并对其数学模型进行了姿态约化;由3D刚体摆的约化方程解得了4组彼此不相交的一维平衡流形,对3D刚体摆的姿态平衡流形进行了讨论,并绘出其在球面的平衡流形图,利用李亚普诺夫一次近似理论讨论了这4组平衡流形的稳定性,得出结论:3D刚体摆一维平衡流形为李亚普诺夫意义下不稳定,计算机仿真验证了这一结论。 展开更多
关键词 3d刚体摆 平衡流形 李亚普诺夫一次近似理论 稳定性
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3-D段涡的兴波数值计算
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作者 廖浔莉 李国安 叶恒奎 《华中科技大学学报(自然科学版)》 EI CAS CSCD 北大核心 2003年第10期88-89,共2页
基于段涡的线性兴波理论分析 ,给出了段涡的线性兴波速度势和自由表面波形的计算公式 ,提供了数值计算方法并且给出了相应的数值计算结果 .由计算结果可以看出段涡兴波的自由表面形状特征与段涡的长短、段涡离自由表面的距离的关系以及... 基于段涡的线性兴波理论分析 ,给出了段涡的线性兴波速度势和自由表面波形的计算公式 ,提供了数值计算方法并且给出了相应的数值计算结果 .由计算结果可以看出段涡兴波的自由表面形状特征与段涡的长短、段涡离自由表面的距离的关系以及来流速度的大小对段涡兴波的影响 ,为水翼的兴波问题的计算提供了基础 . 展开更多
关键词 兴波理论 自由表面波形 3-d段涡 水翼
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Isogeometric nonlocal strain gradient quasi-three-dimensional plate model for thermal postbuckling of porous functionally graded microplates with central cutout with different shapes 被引量:2
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作者 Rui SONG S.SAHMANI B.SAFAEI 《Applied Mathematics and Mechanics(English Edition)》 SCIE EI CSCD 2021年第6期771-786,共16页
This study presents the size-dependent nonlinear thermal postbuckling characteristics of a porous functionally graded material(PFGM) microplate with a central cutout with various shapes using isogeometric numerical te... This study presents the size-dependent nonlinear thermal postbuckling characteristics of a porous functionally graded material(PFGM) microplate with a central cutout with various shapes using isogeometric numerical technique incorporating nonuniform rational B-splines. To construct the proposed non-classical plate model, the nonlocal strain gradient continuum elasticity is adopted on the basis of a hybrid quasithree-dimensional(3D) plate theory under through-thickness deformation conditions by only four variables. By taking a refined power-law function into account in conjunction with the Touloukian scheme, the temperature-porosity-dependent material properties are extracted. With the aid of the assembled isogeometric-based finite element formulations,nonlocal strain gradient thermal postbuckling curves are acquired for various boundary conditions as well as geometrical and material parameters. It is portrayed that for both size dependency types, by going deeper in the thermal postbuckling domain, gaps among equilibrium curves associated with various small scale parameter values get lower, which indicates that the pronounce of size effects reduces by going deeper in the thermal postbuckling regime. Moreover, we observe that the central cutout effect on the temperature rise associated with the thermal postbuckling behavior in the presence of the effect of strain gradient size and absence of nonlocality is stronger compared with the case including nonlocality in absence of the strain gradient small scale effect. 展开更多
关键词 porosity functionally graded(FG)composite isogeometric approach quasi-three-dimensional(3d)plate theory nonlocal strain gradient elasticity
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Numerical verification of similar Cam-clay model based on generalized potential theory 被引量:2
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作者 钟志辉 杨光华 +2 位作者 傅旭东 温勇 张玉成 《Journal of Central South University》 SCIE EI CAS 2014年第12期4707-4713,共7页
From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential ... From the mathematical principles, the generalized potential theory can be employed to create constitutive model of geomaterial directly. The similar Cam-clay model, which is created based on the generalized potential theory, has less assumptions,clearer mathematical basis, and better computational accuracy. Theoretically, it is more scientific than the traditional Cam-clay models. The particle flow code PFC3 D was used to make numerical tests to verify the rationality and practicality of the similar Cam-clay model. The verification process was as follows: 1) creating the soil sample for numerical test in PFC3 D, and then simulating the conventional triaxial compression test, isotropic compression test, and isotropic unloading test by PFC3D; 2)determining the parameters of the similar Cam-clay model from the results of above tests; 3) predicting the sample's behavior in triaxial tests under different stress paths by the similar Cam-clay model, and comparing the predicting results with predictions by the Cam-clay model and the modified Cam-clay model. The analysis results show that the similar Cam-clay model has relatively high prediction accuracy, as well as good practical value. 展开更多
关键词 generalized potential theory similar Cam-clay model modified Cam-clay model numerical test PFC3d
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Static Analysis of Doubly-Curved Shell Structures of Smart Materials and Arbitrary Shape Subjected to General Loads Employing Higher Order Theories and Generalized Differential Quadrature Method
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作者 Francesco Tornabene Matteo Viscoti Rossana Dimitri 《Computer Modeling in Engineering & Sciences》 SCIE EI 2022年第12期719-798,共80页
The article proposes an Equivalent Single Layer(ESL)formulation for the linear static analysis of arbitrarily-shaped shell structures subjected to general surface loads and boundary conditions.A parametrization of the... The article proposes an Equivalent Single Layer(ESL)formulation for the linear static analysis of arbitrarily-shaped shell structures subjected to general surface loads and boundary conditions.A parametrization of the physical domain is provided by employing a set of curvilinear principal coordinates.The generalized blendingmethodology accounts for a distortion of the structure so that disparate geometries can be considered.Each layer of the stacking sequence has an arbitrary orientation and is modelled as a generally anisotropic continuum.In addition,re-entrant auxetic three-dimensional honeycomb cells with soft-core behaviour are considered in the model.The unknown variables are described employing a generalized displacement field and pre-determined through-the-thickness functions assessed in a unified formulation.Then,a weak assessment of the structural problem accounts for shape functions defined with an isogeometric approach starting fromthe computational grid.Ageneralizedmethodology has been proposed to define two-dimensional distributions of static surface loads.In the same way,boundary conditions with three-dimensional features are implemented along the shell edges employing linear springs.The fundamental relations are obtained from the stationary configuration of the total potential energy,and they are numerically tackled by employing the Generalized Differential Quadrature(GDQ)method,accounting for nonuniform computational grids.In the post-processing stage,an equilibrium-based recovery procedure allows the determination of the three-dimensional dispersion of the kinematic and static quantities.Some case studies have been presented,and a successful benchmark of different structural responses has been performed with respect to various refined theories. 展开更多
关键词 3d honeycomb anisotropic materials differential quadrature method general loads and constraints higher order theories linear static analysis weak formulation
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Electronic Absorption Spectra and Third-Order Nonlinear Optical Property of Dinaphtho[2,3-b:2’,3’-d]Thiophene-5,7,12,13- Tetraone (DNTTRA) and Its Phenyldiazenyl Derivatives: DFT Calculations
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作者 Ziran Chen Yujin Zhang +3 位作者 Zhanrong He Yonghua Guan Yuan Li Hongping Li 《Computational Chemistry》 2020年第4期43-60,共18页
Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of... Third-order nonlinear optical (NLO) materials have broad application prospects in high-density data storage, optical computer, modern laser technology, and other high-tech industries. The structures and frequencies of Dinaphtho[2,3-b:2’,3’-d]thiophene-5,7,12,13-tetraone (DNTTRA) and its 36 derivatives containing azobenzene were calculated by using density functional theory B3LYP and M06-2X methods at 6-311++g(d, p) level, respectively. Besides, the atomic charges of natural bond orbitals (NBO) were analyzed. The frontier orbitals and electron absorption spectra of A-G5 molecule were calculated by TD-DFT (TD-B3LYP/6-311++g(d, p) and TD-M06-2X/6-311++g(d, p)). The NLO properties were calculated by effective finite field FF method and self-compiled program. The results show that 36 molecules of these six series are D-π-A-π-D structures. The third-order NLO coefficients γ (second-order hyperpolarizability) of the D series molecules are the largest among the six series, reaching 10<sup>7</sup> atomic units (10<sup><span style="color:#4F4F4F;font-family:-apple-system, " font-size:14px;white-space:normal;background-color:#ffffff;"="">-</span>33</sup> esu) of order of magnitude, showing good third-order NLO properties. Last, the third-order NLO properties of the azobenzene ring can be improved by introducing strong electron donor groups (e.g. -N(CH<sub>3</sub>)<sub>2</sub> or -NHCH<sub>3</sub>) in the azobenzene ring, so that the third-order NLO materials with good performance can be obtained. 展开更多
关键词 AZOBENZENE dinaphtho[2 3-b:2’ 3’-d]Thiophene-5 7 12 13-Tetraone density Functional theory Electronic Absorption Spectra Third-Order Nonlinear Optical Property
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以企业为主体的产学研战略联盟研发伙伴选择影响因素研究——基于3C理论视角 被引量:10
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作者 王进富 魏珍 +1 位作者 刘江南 苏世彬 《预测》 CSSCI 北大核心 2013年第4期70-74,80,共6页
构建企业为主体的产学研战略联盟是提升国家和地区创新能力的必由路径,而联盟研发伙伴的选择及关系整合则是联盟构建的重要基础。本文基于3C理论视角,将影响研发伙伴选择的因素分为能力、兼容性以及承诺三方面,通过对国内外相关文献的... 构建企业为主体的产学研战略联盟是提升国家和地区创新能力的必由路径,而联盟研发伙伴的选择及关系整合则是联盟构建的重要基础。本文基于3C理论视角,将影响研发伙伴选择的因素分为能力、兼容性以及承诺三方面,通过对国内外相关文献的分析提炼出研发伙伴选择影响因素,据此设计了问卷量表,利用调研数据进行统计分析验证。研究证明,核心能力、技术兼容性及管理者才能是研发伙伴选择的重要影响因素。 展开更多
关键词 产学研战略联盟 研发伙伴 影响因素 3C理论
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1-甲氧基-1-锂乙烯的结构及其分解反应的DFT研究 被引量:1
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作者 刘奉岭 陶景聪 +1 位作者 王海燕 于淑媛 《化学学报》 SCIE CAS CSCD 北大核心 2003年第6期941-945,共5页
用量子化学中的密度泛函DFT方法 ,在B3LYP/6 3 1G(d ,p)水平上研究了 1 甲氧基 1 锂乙烯的结构 .结果表明 ,1 甲氧基 1 锂乙烯有 4种平衡结构 ,其中只有 1种是稳定的 .对稳定的平衡结构 ,找到了分解反应的过渡态 .在得到分解反应过渡... 用量子化学中的密度泛函DFT方法 ,在B3LYP/6 3 1G(d ,p)水平上研究了 1 甲氧基 1 锂乙烯的结构 .结果表明 ,1 甲氧基 1 锂乙烯有 4种平衡结构 ,其中只有 1种是稳定的 .对稳定的平衡结构 ,找到了分解反应的过渡态 .在得到分解反应过渡态的基础上 ,根据Eyring过渡态理论 ,计算了不同温度下 1 甲氧基 1 锂乙烯分解反应的速率常数 ,并根据速率常数计算了其平均寿命τ 。 展开更多
关键词 1-甲氧基-1-锂乙烯 结构 量子化学 密度泛函 dFT方法 Eyring过渡态理论 分解反应 速率常数
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Structural build-up model for three-dimensional concrete printing based on kinetics theory
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作者 Prabhat Ranjan PREM P.S.AMBILY +2 位作者 Shankar KUMAR Greeshma GIRIDHAR Dengwu JIAO 《Frontiers of Structural and Civil Engineering》 SCIE EI CSCD 2024年第7期998-1014,共17页
The thixotropic structural build-up is crucial in extrusion-based three-dimensional(3D)concrete printing.This paper uses a theoretical model to predict the evolution of static and dynamic yield stress for printed conc... The thixotropic structural build-up is crucial in extrusion-based three-dimensional(3D)concrete printing.This paper uses a theoretical model to predict the evolution of static and dynamic yield stress for printed concrete.The model employs a structural kinetics framework to create a time-independent constitutive link between shear stress and shear rate.The model considers flocculation,deflocculation,and chemical hydration to anticipate structural buildability.The reversible and irreversible contributions that occur throughout the build-up,breakdown,and hydration are defined based on the proposed structural parameters.Additionally,detailed parametric studies are conducted to evaluate the impact of model parameters.It is revealed that the proposed model is in good agreement with the experimental results,and it effectively characterizes the structural build-up of 3D printable concrete. 展开更多
关键词 structural build-up RHEOLOGY THIXOTROPY 3d printable concrete kinetics theory ultra high performance concrete
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