Coupling Molecular Dynamics and Continua with Weak Constraints

DOI10.1137/100782097zbMath1244.82004OpenAlexW1975601007MaRDI QIDQ2903608

Konstantin Fackeldey, Christoph Lenzen, Dorian Krause, Rolf H. Krause

Publication date: 11 August 2012

Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/100782097

zbMATH Keywords

molecular dynamicsmultiscale simulations

Mathematics Subject Classification ID

Related Items (11)

Frontiers in Mortar Methods for Isogeometric Analysis ⋮ A damping boundary condition for coupled atomistic-continuum simulations ⋮ Challenges in atomistic-to-continuum coupling ⋮ A Parallel Multiscale Simulation Toolbox for Coupling Molecular Dynamics and Finite Elements ⋮ Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method ⋮ Coarse-graining molecular dynamics models using an extended Galerkin projection method ⋮ Coupling of an atomistic model and bond-based peridynamic model using an extended Arlequin framework ⋮ Onto resolving spurious wave reflection problem with changing nonlocality among various length scales ⋮ An Immersed Boundary Method Based on the L 2-Projection Approach ⋮ An immersed boundary method for fluid-structure interaction based on variational transfer ⋮ Numerical validation of a constraints-based multiscale simulation method for solids

Uses Software

• UMFPACK
• Trilinos
• UG
• PUMA

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