Shallow water equations: Magic and limitations

D Liang from Cambridge University explains the shallow water equations and their applications to the dam-break and other steep-fronted flow modeling. They assume that the horizontal scale of the flow is much greater than the vertical scale, which means the flow is restricted within a thin layer, thus the vertical momentum is insignificant and the pressure distribution is hydrostatic. The left hand sides of the two momentum equations represent the acceleration of the fluid particle in the horizontal plane. If the fluid acceleration is ignored, then the two momentum equations are simplified into the so-called diffusion wave equations. In contrast to the SWEs approach, it is much less convenient to model floods with the Navier-Stokes equations. In conventional computational fluid dynamics (CFD), cumbersome treatments are needed to accurately capture the shape of the free surface. The SWEs are derived using the assumptions of small vertical velocity component, smooth water surface, gradual variation and hydrostatic pressure distribution.

Communication: energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water.

We show the feasibility of using quantum Monte Carlo (QMC) to compute benchmark energies for configuration samples of thermal-equilibrium water clusters and the bulk liquid containing up to 64 molecules. Evidence that the accuracy of these benchmarks approaches that of basis-set converged coupled-cluster calculations is noted. We illustrate the usefulness of the benchmarks by using them to analyze the errors of the popular BLYP approximation of density functional theory (DFT). The results indicate the possibility of using QMC as a routine tool for analyzing DFT errors for non-covalent bonding in many types of condensed-phase molecular system.