• Title/Summary/Keyword: coupled mechanics

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Comparative studies of density functionals in modelling hydrogen bonding energetics of acrylamide dimers

  • Lin, Yi-De;Wang, Yi-Siang;Chao, Sheng D.
    • Coupled systems mechanics
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    • v.6 no.3
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    • pp.369-376
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    • 2017
  • Intermolecular interaction energies and conformer geometries of the hydrogen bonded acrylamide dimers have been studied by using the second-order Møller-Plesset (MP2) perturbation theory and the density functional theory (DFT) with 17 density functionals. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) have been used to study the basis set effects. The DFT calculated interaction energies are compared to the reference energy data calculated by the MP2 method and the coupled cluster method at the complete basis set (CCSD(T)/CBS) limit in order to determine the relative performance of the studied density functionals. Overall, dispersion-energy-corrected density functionals outperform uncorrected ones. The ${\omega}B97XD$ density functional is particularly effective in terms of both accuracy and computational cost in estimating the reference energy values using small basis sets and is highly recommended for similar calculations for larger systems.

Multi-scale model for coupled piezoelectric-inelastic behavior

  • Moreno-Navarro, Pablo;Ibrahimbegovic, Adnan;Damjanovic, Dragan
    • Coupled systems mechanics
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    • v.10 no.6
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    • pp.521-544
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    • 2021
  • In this work, we present the development of a 3D lattice-type model at microscale based upon the Voronoi-cell representation of material microstructure. This model can capture the coupling between mechanic and electric fields with non-linear constitutive behavior for both. More precisely, for electric part we consider the ferroelectric constitutive behavior with the possibility of domain switching polarization, which can be handled in the same fashion as deformation theory of plasticity. For mechanics part, we introduce the constitutive model of plasticity with the Armstrong-Frederick kinematic hardening. This model is used to simulate a complete coupling of the chosen electric and mechanics behavior with a multiscale approach implemented within the same computational architecture.

The coupling of complex variable-reproducing kernel particle method and finite element method for two-dimensional potential problems

  • Chen, Li;Liew, K.M.;Cheng, Yumin
    • Interaction and multiscale mechanics
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    • v.3 no.3
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    • pp.277-298
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    • 2010
  • The complex variable reproducing kernel particle method (CVRKPM) and the FEM are coupled in this paper to analyze the two-dimensional potential problems. The coupled method not only conveniently imposes the essential boundary conditions, but also exploits the advantages of the individual methods while avoiding their disadvantages, resulting in improved computational efficiency. A hybrid approximation function is applied to combine the CVRKPM with the FEM. Formulations of the coupled method are presented in detail. Three numerical examples of the two-dimensional potential problems are presented to demonstrate the effectiveness of the new method.

Damage detection of mono-coupled multistory buildings: Numerical and experimental investigations

  • Xu, Y.L.;Zhu, Hongping;Chen, J.
    • Structural Engineering and Mechanics
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    • v.18 no.6
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    • pp.709-729
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    • 2004
  • This paper presents numerical and experimental investigations on damage detection of mono-coupled multistory buildings using natural frequency as only diagnostic parameter. Frequency equation of a mono-coupled multistory building is first derived using the transfer matrix method. Closed-form sensitivity equation is established to relate the relative change in the stiffness of each story to the relative changes in the natural frequencies of the building. Damage detection is then performed using the sensitivity equation with its special features and minimizing the norm of an objective function with an inequality constraint. Numerical and experimental investigations are finally conducted on a mono-coupled 3-story building model as an application of the proposed algorithm, in which the influence of modeling error on the degree of accuracy of damage detection is discussed. A mono-coupled 10-story building is further used to examine the capability of the proposed algorithm against measurement noise and incomplete measured natural frequencies. The results obtained demonstrate that changes in story stiffness can be satisfactorily detected, located, and quantified if all sensitive natural frequencies to damaged stories are available. The proposed damage detection algorithm is not sensitive to measurement noise and modeling error.

Coupled solid and fluid mechanics simulation for estimating optimum injection pressure during reservoir CO2-EOR

  • Elyasi, Ayub;Goshtasbi, Kamran;Hashemolhosseini, Hamid;Barati, Sharif
    • Structural Engineering and Mechanics
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    • v.59 no.1
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    • pp.37-57
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    • 2016
  • Reservoir geomechanics can play an important role in hydrocarbon recovery mechanism. In $CO_2$-EOR process, reservoir geomechanics analysis is concerned with the simultaneous study of fluid flow and the mechanical response of the reservoir under $CO_2$ injection. Accurate prediction of geomechanical effects during $CO_2$ injection will assist in modeling the Carbon dioxide recovery process and making a better design of process and production equipment. This paper deals with the implementation of a program (FORTRAN 90 interface code), which was developed to couple conventional reservoir (ECLIPSE) and geomechanical (ABAQUS) simulators, using a partial coupling algorithm. A geomechanics reservoir partially coupled approach is presented that allows to iteratively take the impact of geomechanics into account in the fluid flow calculations and therefore performs a better prediction of the process. The proposed approach is illustrated on a realistic field case. The reservoir geomechanics coupled models show that in the case of lower maximum bottom hole injection pressure, the cumulative oil production is more than other scenarios. Moreover at the high injection pressures, the production rates will not change with the injection bottom hole pressure variations. Also the FEM analysis of the reservoir showed that at $CO_2$ injection pressure of 11000 Psi the plastic strain has been occurred in the some parts of the reservoir and the related stress path show a critical behavior.

Stochastic optimal control of coupled structures

  • Ying, Z.G.;Ni, Y.Q.;Ko, J.M.
    • Structural Engineering and Mechanics
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    • v.15 no.6
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    • pp.669-683
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    • 2003
  • The stochastic optimal nonlinear control of coupled adjacent building structures is studied based on the stochastic dynamical programming principle and the stochastic averaging method. The coupled structures with control devices under random seismic excitation are first condensed to form a reduced-order structural model for the control analysis. The stochastic averaging method is applied to the reduced model to yield stochastic differential equations for structural modal energies as controlled diffusion processes. Then a dynamical programming equation for the energy processes is established based on the stochastic dynamical programming principle, and solved to determine the optimal nonlinear control law. The seismic response mitigation of the coupled structures is achieved through the structural energy control and the dimension of the optimal control problem is reduced. The seismic excitation spectrum is taken into account according to the stochastic dynamical programming principle. Finally, the nonlinear controlled structural response is predicted by using the stochastic averaging method and compared with the uncontrolled structural response to evaluate the control efficacy. Numerical results are given to demonstrate the response mitigation capabilities of the proposed stochastic optimal control method for coupled adjacent building structures.