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Challenges of high dam construction to computational mechanics

ZHANG Chuhan

《结构与土木工程前沿（英文）》 2007年第1卷第1期页码 12-33 doi: 10.1007/s11709-007-0002-6

摘要： The current situations and growing prospects of China s hydro-power development and high dam construction are reviewed, giving emphasis to key issues for safety evaluation of large dams and hydro-power plants, especially those associated with application of state-of-the-art computational mechanics. These include but are not limited to: stress and stability analysis of dam foundations under external loads; earthquake behavior of dam-foundation-reservoir systems, mechanical properties of mass concrete for dams, high velocity flow and energy dissipation for high dams, scientific and technical problems of hydro-power plants and underground structures, and newly developed types of dam-Roll Com pacted Concrete (RCC) dams and Concrete Face Rock-fill (CFR) dams. Some examples demonstrating successful utilizations of computational mechanics in high dam engineering are given, including seismic nonlinear analysis for arch dam foundations, nonlinear fracture analysis of arch dams under reservoir loads, and failure analysis of arch dam-foundations. To make more use of the computational mechanics in high dam engineering, it is pointed out that much research including different computational methods, numerical models and solution schemes, and verifications through experimental tests and filed measurements is necessary in the future.

关键词： reservoir engineering hydro-power development state-of-the-art computational earthquake

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Revisiting digital twins: Origins, fundamentals, and practices

《工程管理前沿（英文）》页码 668-676 doi: 10.1007/s42524-022-0216-2

摘要： The digital twins (DT) has quickly become a hot topic since it was proposed. It appears in all kinds of commercial propaganda and is widely quoted by academic circles. However, the term DT has misstatements and is misused in business and academics. This study revisits DT and defines it to be a more advanced system/product/service modeling and simulation environment that combines most modern information communication technologies (ICTs) and engineering mechanism digitization and characterized by system/product/service life cycle management, physically geometric visualization, real-time sensing and measurement of system operating conditions, predictability of system performance/safety/lifespan, and complete engineering mechanisms-based simulations. The idea of DT originates from modeling and simulation practices of engineering informatization, including virtual manufacturing (VM), model predictive control, and building information modeling (BIM). On the basis of the two-element VM model, we propose a three-element model to represent DT. DT does not have its unique technical characteristics. The existing practices of DT are extensions of the engineering informatization embracing modern ICTs. These insights clarify the origin of DT and its technical essentials.

关键词： virtual manufacturing digital twins modeling and simulation digitization computational engineering

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Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

《化学科学与工程前沿（英文）》 2022年第16卷第7期页码 1149-1163 doi: 10.1007/s11705-021-2096-0

摘要： The production of solar fuels via the photoreduction of carbon dioxide to methane by titanium oxide is a promising process to control greenhouse gas emissions and provide alternative renewable fuels. Although several reaction mechanisms have been proposed, the detailed steps are still ambiguous, and the limiting factors are not well defined. To improve our understanding of the mechanisms of carbon dioxide photoreduction, a multiphysics model was developed using COMSOL. The novelty of this work is the computational fluid dynamic model combined with the novel carbon dioxide photoreduction intrinsic reaction kinetic model, which was built based on three-steps, namely gas adsorption, surface reactions and desorption, while the ultraviolet light intensity distribution was simulated by the Gaussian distribution model and Beer-Lambert model. The carbon dioxide photoreduction process conducted in a laboratory-scale reactor under different carbon dioxide and water moisture partial pressures was then modeled based on the intrinsic kinetic model. It was found that the simulation results for methane, carbon monoxide and hydrogen yield match the experiments in the concentration range of 10⁻⁴ mol·m^–3 at the low carbon dioxide and water moisture partial pressure. Finally, the factors of adsorption site concentration, adsorption equilibrium constant, ultraviolet light intensity and temperature were evaluated.

关键词： carbon dioxide photoreduction computational fluid dynamic simulation kinetic model Langmuir adsorption

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Computational fluid dynamics simulation of aerosol transport and deposition

Yingjie TANG, Bing GUO

《环境科学与工程前沿（英文）》 2011年第5卷第3期页码 362-377 doi: 10.1007/s11783-011-0365-8

摘要： In this article computational fluid dynamics (CFD) simulation of aerosol transport and deposition, i.e. the transport and deposition of particles in an aerosol, is reviewed. The review gives a brief account of the basics of aerosol mechanics, followed by a description of the general CFD approach for flow field simulation, turbulence modeling, wall treatments and simulation of particle motion and deposition. Then examples from the literature are presented, including CFD simulation of particle deposition in human respiratory tract and particle deposition in aerosol devices. CFD simulation of particle transport and deposition may provide information that is difficult to obtain through physical experiments, and it may help reduce the number of experiments needed for device design. Due to the difficulty of describing turbulent flow and particle-eddy interaction, turbulent dispersion of particles remains one of the greatest challenges for CFD simulation. However, it is possible to take a balanced approach toward quantitative description of aerosol dispersion using CFD simulation in conjunction with empirical relations.

关键词： computational fluid dynamics (CFD) aerosol transport deposition

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Introduction to the special section on the Symposium on Computational Fluid Dynamics and Molecular Simulation

Tianwei TAN, Peiyong QIN,

《化学科学与工程前沿（英文）》 2010年第4卷第3期页码 241-241 doi: 10.1007/s11705-009-0285-3

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Electrolytic cell engineering and device optimization for electrosynthesis of e-biofuels via co-valorisation

Faraz Montazersadgh, Hao Zhang, Anas Alkayal, Benjamin Buckley, Ben W. Kolosz, Bing Xu, Jin Xuan

《化学科学与工程前沿（英文）》 2021年第15卷第1期页码 208-219 doi: 10.1007/s11705-020-1945-6

摘要： Utilizing CO in an electro-chemical process and synthesizing value-added chemicals are amongst the few viable and scalable pathways in carbon capture and utilization technologies. CO electro-reduction is also counted as one of the main options entailing less fossil fuel consumption and as a future electrical energy storage strategy. The current study aims at developing a new electrochemical platform to produce low-carbon e-biofuel through multifunctional electrosynthesis and integrated co-valorisation of biomass feedstocks with captured CO . In this approach, CO is reduced at the cathode to produce drop-in fuels (e.g., methanol) while value-added chemicals (e.g., selective oxidation of alcohols, aldehydes, carboxylic acids and amines/amides) are produced at the anode. In this work, a numerical model of a continuous-flow design considering various anodic and cathodic reactions was built to determine the most techno-economically feasible configurations from the aspects of energy efficiency, environment impact and economical values. The reactor design was then optimized via parametric analysis.

关键词： electrosynthesis e-biofuels CO₂ utilization computational model

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Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

《化学科学与工程前沿（英文）》 2016年第10卷第1期页码 76-89 doi: 10.1007/s11705-016-1557-3

摘要： Small pore zeolites, containing 8-rings as the largest, are widely employed as catalysts in the process of methanol-to-olefins (MTO). Reactants and products diffuse with constraints through 8-rings and this is one of the reaction bottlenecks related to zeolite micropore topology. Small pore zeolites and silicon-aluminophosphates(SAPOs) containing cavities, where olefins are mainly formed through the hydrocarbon pool (HP) mechanism, are frequently tested for MTO. Shape selectivity of transition states within the side-chain methylation will be reviewed as this is one of the controlling steps of the MTO process, with particular attention to the role of hexamethylbenzene (HMB) and heptamethylbenzenium cation (HeptaMB ), which are the most tipically detected reaction intermediates, common to the paring and side-chain routes within the HP mechanism. The relative stability of these and other species will be reviewed in terms of confinement effects in different cage-based zeolites. The role of the different alkylating agents, methanol, dimethyl ether (DME), and surface methoxy species (SMS) will also be reviewed from the computational viewpoint.

关键词： small pore zeolites SAPOs methanol-to-olefins hydrocarbon pool mechanism alkylation of polymethylbenzenes

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Stormwater treatment: examples of computational fluid dynamics modeling

Gaoxiang YING, John SANSALONE, Srikanth PATHAPATI, Giuseppina GAROFALO, Marco MAGLIONICO, Andrea BOLOGNESI, Alessandro ARTINA

《环境科学与工程前沿（英文）》 2012年第6卷第5期页码 638-648 doi: 10.1007/s11783-012-0442-7

摘要： Control of rainfall-runoff particulate matter (PM) and PM-bound chemical loads is challenging; in part due to the wide gradation of PM complex geometries of many unit operations and variable flow rates. Such challenges and the expense associated with resolving such challenges have led to the relatively common examination of a spectrum of unit operations and processes. This study applies the principles of computational fluid dynamics (CFD) to predict the particle and pollutant clarification behavior of these systems subject to dilute multiphase flows, typical of rainfall-runoff, within computationally reasonable limits, to a scientifically acceptable degree of accuracy. The Navier-Stokes (NS) system of nonlinear partial differential equations for multi-phase hydrodynamics and separation of entrained particles are solved numerically over the unit operation control volume with the boundary and initial conditions defined and then solved numerically until the desired convergence criteria are met. Flow rates examined are scaled based on sizing of common unit operations such as hydrodynamic separators (HS), wet basins, or filters, and are examined from 1 to 100 percent of the system maximum hydraulic operating flow rate. A standard turbulence model is used to resolve flow, and a discrete phase model (DPM) is utilized to examine the particle clarification response. CFD results closely follow physical model results across the entire range of flow rates. Post-processing the CFD predictions provides an in-depth insight into the mechanistic behavior of unit operations by means of three dimensional (3-D) hydraulic profiles and particle trajectories. Results demonstrate the role of scour in the rapid degradation of unit operations that are not maintained. Comparisons are provided between measured and CFD modeled results and a mass balance error is identified. CFD is arguably the most powerful tool available for our profession since continuous simulation modeling.

关键词： stormwater unit operations and processes (UOPs) hydrodynamic separation filtration adsorption computational fluid dynamics (CFD) turbulence modeling discrete phase model particle separation detention/retention basins clarification

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New computational treatment of optical wave propagation in lossywaveguides

Jian-xin ZHU,Guan-jie WANG

《信息与电子工程前沿（英文）》 2015年第16卷第8期页码 646-653 doi: 10.1631/FITEE.1400406

摘要： In this paper, the optical wave propagation in lossy waveguides is described by the Helmholtz equation with the complex refractive-index, and the Chebyshev pseudospectral method is used to discretize the transverse operator of the equation. Meanwhile, an operator marching method, a one-way re-formulation based on the Dirichletto-Neumann (DtN) map, is improved to solve the equation. Numerical examples show that our treatment is more efficient.

关键词： Adjoint operator Orthogonal Chebyshev Pseudospectral method Dirichlet-to-Neumann map

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An investigation of ballistic response of reinforced and sandwich concrete panels using computational

Mohammad HANIFEHZADEH, Bora GENCTURK

《结构与土木工程前沿（英文）》 2019年第13卷第5期页码 1120-1137 doi: 10.1007/s11709-019-0540-8

摘要： Structural performance of nuclear containment structures and power plant facilities is of critical importance for public safety. The performance of concrete in a high-speed hard projectile impact is a complex problem due to a combination of multiple failure modes including brittle tensile fracture, crushing, and spalling. In this study, reinforced concrete (RC) and steel-concrete-steel sandwich (SCSS) panels are investigated under high-speed hard projectile inpact. Two modeling techniques, smoothed particle hydrodynamics (SPH) and conventional finite element (FE) analysis with element erosion are used. Penetration depth and global deformation are compared between doubly RC and SCSS panels in order to identify the advantages of the presence of steel plates over the reinforcement layers. A parametric analysis of the front and rear plate thicknesses of the SCSS configuration showed that the SCSS panel with a thick front plate has the best performance in controlling the hard projectile. While a thick rear plate is effective in the case of a large and soft projectile as the plate reduces the rear deformation. The effects of the impact angle and impact velocity are also considered. It was observed that the impact angle for the flat nose missile is critical and the front steel plate is effective in minimizing penetration depth.

关键词： concrete panels projectile impact finite element modeling smoothed particle hydrodynamics strain rate effect

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Experimental and computational validation of a scaled train tunnel model using modal analysis

Janice B. D’SOUZA, Sangarapillai KANAPATHIPILLAI

《机械工程前沿（英文）》 2013年第8卷第4期页码 420-428 doi: 10.1007/s11465-013-0281-7

摘要：

Acoustic engineers are faced with the challenge of minimising reverberation time in their designs so as to contribute to the health and well-being of those traveling by train and those on the platforms. Although the problem is easy to identify, it is not as simple to solve. The acoustical environment of a train tunnel is complex, with a variety of noise contributing factors such as train announcements, speech of commuters, ventilation systems, electrical equipment and wheel and rail noise. As a result, there is some difficulty in modeling the complete acoustic environment with computational or acoustic first principles. In this study, an experimental rig was constructed to model the acoustic behavior within a tunnel. The modal properties for the 300 Hz to 1500 Hz range, including resonances and mode shapes were identified and were shown to successfully correspond to theoretical results and a computational model created in COMSOL using Finite Element Analysis.

关键词： reverberation time acoustic environment modal properties resonances

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Parametric computational study on butterfly-shaped hysteretic dampers

Ali Reza FARZAMPOUR, Matthew Roy EATHERTON

《结构与土木工程前沿（英文）》 2019年第13卷第5期页码 1214-1226 doi: 10.1007/s11709-019-0550-6

摘要： A parametric computational study is conducted to investigate the shear yielding, flexural yielding, and lateral torsional buckling limit states for butterfly-shaped links. After validating the accuracy of the finite element (FE) modeling approach against previous experiments, 112 computational models with different geometrical properties were constructed and analyzed including consideration of initial imperfections. The resulting yielding moment, corresponding critical shear force, the accumulation of plastic strains through the length of links as well as the amount of energy dissipated are investigated. The results indicate that as the shape of the butterfly-shaped links become too straight or conversely too narrow in the middle, peak accumulated plastic strains increase. The significant effect of plate thickness on the buckling limit state is examined in this study. Results show that overstrength for these links (peak force divided by yield force) is between 1.2 and 4.5, with straight links producing larger overstrength. Additionally, proportioning the links to delay buckling, and designing the links to yield in the flexural mode are shown to improve energy dissipation.

关键词： structural fuse hysteretic damper finite element analysis energy dissipation initial imperfection butterfly-shaped links

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A computational toolbox for molecular property prediction based on quantum mechanics and quantitative

《化学科学与工程前沿（英文）》 2022年第16卷第2期页码 152-167 doi: 10.1007/s11705-021-2060-z

摘要： Chemical industry is always seeking opportunities to efficiently and economically convert raw materials to commodity chemicals and higher value-added chemical-based products. The life cycles of chemical products involve the procedures of conceptual product designs, experimental investigations, sustainable manufactures through appropriate chemical processes and waste disposals. During these periods, one of the most important keys is the molecular property prediction models associating molecular structures with product properties. In this paper, a framework combining quantum mechanics and quantitative structure-property relationship is established for fast molecular property predictions, such as activity coefficient, and so forth. The workflow of framework consists of three steps. In the first step, a database is created for collections of basic molecular information; in the second step, quantum mechanics-based calculations are performed to predict quantum mechanics-based/derived molecular properties (pseudo experimental data), which are stored in a database and further provided for the developments of quantitative structure-property relationship methods for fast predictions of properties in the third step. The whole framework has been carried out within a molecular property prediction toolbox. Two case studies highlighting different aspects of the toolbox involving the predictions of heats of reaction and solid-liquid phase equilibriums are presented.

关键词： molecular property quantum mechanics quantitative structure-property relationship heat of reaction solid-liquid phase equilibrium

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Computational fluid dynamic analysis of flutter characteristics for self-anchored suspension bridges

ZHU Zhiwen, WANG Zhaoxiang, CHEN Zhengqing

《结构与土木工程前沿（英文）》 2008年第2卷第3期页码 267-273 doi: 10.1007/s11709-008-0034-6

摘要： This paper outlines the essentials and procedures of computational fluid dynamics (CFD) simulation applicable to evaluating flutter derivatives of bridge decks. An arbitrary Lagrangian-Eulerian (ALE) description of the flow around the moving rigid box girder combined with the finite volume discretization and multi-grid algorithm is presented. The proposed methods are employed to identify flutter derivatives of the bridge deck of the Sanchaji Self-anchored Suspension Bridge. The results agree well with ones from wind tunnel tests. It demonstrates accuracy and efficiency of the present method.

关键词： discretization computational description Self-anchored Suspension simulation applicable

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Experimental and computational assessment of 1,4-Dioxane degradation in a photo-Fenton reactive ceramic

《环境科学与工程前沿（英文）》 2021年第15卷第5期 doi: 10.1007/s11783-020-1341-y

摘要：

• 1,4-Dioxane was degraded via the photo-Fenton reactive membrane filtration.

关键词： Photo-Fenton Ceramic membrane 1 4-Dioxane Goethite

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标题作者时间类型操作

Challenges of high dam construction to computational mechanics

ZHANG Chuhan

期刊论文

Revisiting digital twins: Origins, fundamentals, and practices

期刊论文

Investigation of carbon dioxide photoreduction process in a laboratory-scale photoreactor by computational

期刊论文

Computational fluid dynamics simulation of aerosol transport and deposition

Yingjie TANG, Bing GUO

期刊论文

Introduction to the special section on the Symposium on Computational Fluid Dynamics and Molecular Simulation

Tianwei TAN, Peiyong QIN,

期刊论文

Electrolytic cell engineering and device optimization for electrosynthesis of e-biofuels via co-valorisation

Faraz Montazersadgh, Hao Zhang, Anas Alkayal, Benjamin Buckley, Ben W. Kolosz, Bing Xu, Jin Xuan

期刊论文

Confinement effects in methanol to olefins catalysed by zeolites: A computational review

German Sastre

期刊论文

Stormwater treatment: examples of computational fluid dynamics modeling

Gaoxiang YING, John SANSALONE, Srikanth PATHAPATI, Giuseppina GAROFALO, Marco MAGLIONICO, Andrea BOLOGNESI, Alessandro ARTINA

期刊论文

New computational treatment of optical wave propagation in lossywaveguides

Jian-xin ZHU,Guan-jie WANG

期刊论文

An investigation of ballistic response of reinforced and sandwich concrete panels using computational

Mohammad HANIFEHZADEH, Bora GENCTURK

期刊论文

Experimental and computational validation of a scaled train tunnel model using modal analysis

Janice B. D’SOUZA, Sangarapillai KANAPATHIPILLAI

期刊论文

Parametric computational study on butterfly-shaped hysteretic dampers

Ali Reza FARZAMPOUR, Matthew Roy EATHERTON

期刊论文

A computational toolbox for molecular property prediction based on quantum mechanics and quantitative

期刊论文

Computational fluid dynamic analysis of flutter characteristics for self-anchored suspension bridges

ZHU Zhiwen, WANG Zhaoxiang, CHEN Zhengqing

期刊论文

Experimental and computational assessment of 1,4-Dioxane degradation in a photo-Fenton reactive ceramic

期刊论文

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