4 research outputs found
Modelling solid/fluid interactions in hydrodynamic flows: a hybrid multiscale approach
With the advent of high performance computing (HPC), we can
simulate nature at time and length scales that we could only dream of a few
decades ago. Through the development of theory and numerical methods in
the last fifty years, we have at our disposal a plethora of mathematical and
computational tools to make powerful predictions about the world which
surrounds us. From quantum methods like Density Functional Theory
(DFT); going through atomistic methods such as Molecular Dynamics (MD)
and Monte Carlo (MC), right up to more traditional macroscopic techniques
based on Partial Differential Equations (PDEs) discretization like the Finite
Element Method (FEM) or Finite Volume Method (FVM), which are
respectively, the foundation of computational Structural Analysis and
Computational Fluid Dynamics (CFD). Many modern scientific computing
challenges in physics stem from combining appropriately two or more of
these methods, in order to tackle problems that could not be solved
otherwise using just one of them alone. This is known as multi-scale
modeling, which aims to achieve a trade-off between computational cost and
accuracy by combining two or more physical models at different scales.
In this work, a multi-scale domain decomposition technique based on
coupling MD and CFD methods, has been developed to make affordable the
study of slip and friction, with atomistic detail, at length scales otherwise
impossible by fully atomistic methods alone. A software framework has been
developed to facilitate the execution of this particular kind of simulations on
HPC clusters. This have been possible by employing the in-house developed
CPL_LIBRARY software library, which provides key functionality to implement
coupling through domain decomposition.Open Acces