Hybrid atomistic-continuum formulations and the moving contact-line problem
Journal of Computational Physics
Understanding Molecular Simulation
Understanding Molecular Simulation
On the computation of ensemble averages for spatially non-uniform particle systems
Journal of Computational Physics
Algorithm refinement for the stochastic Burgers' equation
Journal of Computational Physics
A continuum-atomistic simulation of heat transfer in micro- and nano-flows
Journal of Computational Physics
Analytical and numerical study of coupled atomistic-continuum methods for fluids
Journal of Computational Physics
A general strategy for designing seamless multiscale methods
Journal of Computational Physics
A stochastic mixed finite element heterogeneous multiscale method for flow in porous media
Journal of Computational Physics
A hybrid molecular continuum method using point wise coupling
Advances in Engineering Software
A multiscale method for micro/nano flows of high aspect ratio
Journal of Computational Physics
Dual-Scaled method for the rheology of non-newtonian boundary layer and its high performance FEM
ICICA'12 Proceedings of the Third international conference on Information Computing and Applications
Time-step coupling for hybrid simulations of multiscale flows
Journal of Computational Physics
Optimal spatiotemporal reduced order modeling, Part I: proposed framework
Computational Mechanics
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The framework of the heterogeneous multiscale method (HMM) is used to develop numerical methods for the study of macroscale dynamics of fluids in situations, where either the constitutive relation or the boundary conditions are not explicitly available and have to be inferred from microscopic models such as molecular dynamics. Continuum hydrodynamics is used as the macroscopic model, while molecular dynamics serves as the microscopic model and is used to supply the necessary data, e.g., the stress or the boundary condition, for the macroscopic model. Scale separation is exploited so that the macroscopic variables can be evolved in macroscopic spatial/temporal scales using data that are estimated from molecular dynamics simulation on microscale spatial/temporal domains. This naturally decouples the micro and macrospatial and temporal scales whenever possible. Applications are presented for models of complex fluids, contact line dynamics, and a simple model of non-trivial fluid-solid interactions.