A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system

DOI10.1002/NME.2846zbMath1193.74167OpenAlexW2036191353MaRDI QIDQ3586910

Ryo Kobayashi, Takahide Nakamura, Shuji Ogata

Publication date: 1 September 2010

Published in: International Journal for Numerical Methods in Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/nme.2846

zbMATH Keywords

molecular dynamicscoarse grainingmultiscale simulationscale coupling

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Cites Work

• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• On the application of the Arlequin method to the coupling of particle and continuum models
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• A mathematical framework of the bridging scale method
• Conservation properties of the bridging domain method for coupled molecular/continuum dynamics
• Connecting Atomistic-to-Continuum Coupling and Domain Decomposition
• On Atomistic-to-Continuum Coupling by Blending
• The Arlequin method as a flexible engineering design tool
• Hybrid finite-element/molecular-dynamics/electronic-density-functional approach to materials simulations on parallel computers
• An analysis of the quasicontinuum method

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