A spectral multiscale method for wave propagation analysis: atomistic-continuum coupled simulation
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Abstract: In this paper, we present a new multiscale method which is capable of coupling atomistic and continuum domains for high frequency wave propagation analysis. The problem of non-physical wave reflection, which occurs due to the change in system description across the interface between two scales, can be satisfactorily overcome by the proposed method. We propose an efficient spectral domain decomposition of the total fine scale displacement along with a potent macroscale equation in the Laplace domain to eliminate the spurious interfacial reflection. We use Laplace transform based spectral finite element method to model the macroscale, which provides the optimum approximations for required dynamic responses of the outer atoms of the simulated microscale region very accurately. This new method shows excellent agreement between the proposed multiscale model and the full molecular dynamics (MD) results. Numerical experiments of wave propagation in a 1D harmonic lattice, a 1D lattice with Lennard-Jones potential, a 2D square Bravais lattice, and a 2D triangular lattice with microcrack demonstrate the accuracy and the robustness of the method. In addition, under certain conditions, this method can simulate complex dynamics of crystalline solids involving different spatial and/or temporal scales with sufficient accuracy and efficiency.
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Cited in
(10)- A dynamical concurrent multiscale method employing a transmitting boundary to minimize wave reflections at the domain interface
- A concurrent two-scale coupling for wave propagation using direct solution schemes with explicit time integration
- Formulation and Stability Analysis of a Multi-Scale Modeling Approach for Simulation of Elastic Wave Propagation
- Existence of second spectrums of Timoshenko beam and Mindlin-Herrmann rod theories on the basis of atomistic studies
- Static, stability and dynamic analyses of second strain gradient elastic Euler-Bernoulli beams
- Moving window techniques to model shock wave propagation using the concurrent atomistic-continuum method
- Discrete and continuous models of linear elasticity: history and connections
- Investigating shock wave propagation, evolution, and anisotropy using a moving window concurrent atomistic-continuum framework
- Simulation of Wave Propagation in Complex Structures with the Spectral Element Method
- A phenomenon of artificial odd-even grid oscillation and its presence in domain decomposition computation: algebraic analysis and numerical illustration
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