The stable boundary layer (SBL) in the atmosphere is of considerable interest because it is often the worse case scenario for air pollution studies and health effect assessments associated with the accidental release of toxic material. Traditional modeling approaches used in such studies do not simulate the non-steady character of the velocity field, and hence often overpredict concentrations while underpredicting spatial coverage of potentially harmful concentrations of airborne material. The challenge for LES is to be able to resolve the rather small energy-containing eddies of the SBL while still maintaining an adequate domain size. This requires that the subgrid-scale (SGS) parameterization of turbulence incorporate an adequate representation of turbulent energy transfer. Recent studies have shown that both upscale and downscale energy transfer can occur simultaneously, but that overall the net transfer is downscale. Including the upscale transfer of turbulent energy (energy backscatter) is particularly important near the ground and under stably-stratified conditions. The goal of this research is to improve the ability to realistically simulate the SBL. The large-eddy simulation (LES) approach with its subgrid-scale (SGS) turbulence model does a better job of capturing the temporally and spatially varying features of the SBL than do Reynolds-averaging models. The scientific objectives of this research are: (1) to characterize features of the evolving SBL structure for a range of meteorological conditions (wind speed and surface cooling), (2) to simulate realistically the transfer of energy between resolved and subgrid scales, and (3) to apply results to improve simulation of dispersion in the SBL.

Large-eddy simulation (LES) of the evolving stable boundary layer (SBL) provides unique data sets for assessing the effects of stable stratification on transport and dispersion. The simulations include the initial development of the convective boundary layer (CBL) in the afternoon, followed by the development of an SBL after sunset with a strong, surface-based temperature inversion. The structure of the turbulence is modified significantly by negative buoyancy associated with the temperature inversion. The magnitude of velocity variances is reduced by an order of magnitude compared to that in the CBL, and the vertical velocity variance is damped further as the static stability preferentially damps vertical motions. The advanced subgrid-scale turbulence model allows simulation of intermittently enhanced periods of turbulence in the SBL that am often observed. During these turbulent episodes, mixing is increased within the SBL. Air pollution models that account only for the long-term mean structure of the SBL do not include the effects of these episodes. In contrast, our LES results imply that material released near the surface and mixed to higher elevations would be transported by stronger winds and in different directions, due to the vertical shear of horizontal wind speed and direction. Material released at altitude in the SBL will tend to be mixed downward toward the surface during these turbulent episodes in a fumigation-like scenario at night.

A stable atmospheric boundary layer (ABL) develops over land at night due to radiative surface cooling. The state of turbulence in the stable boundary layer (SBL) is determined by the competing forcings of shear production and buoyancy destruction. When both forcings are comparable in strength, the SBL falls into an intermittently turbulent state, where intense turbulent bursts emerge sporadically from an overall quiescent background. This usually occurs on clear nights with weak winds when the SBL is strongly stable. Although turbulent bursts are generally short-lived (half an hour or less), their impact on the SBL is significant since they are responsible for most of the turbulent mixing. The nighttime SBL can be modeled with large-eddy simulation (LES). LES is a turbulence-resolving numerical approach which separates the large-scale energy-containing eddies from the smaller ones based on application of a spatial filter. While the large eddies are explicitly resolved, the small ones are represented by a subfilter-scale (SFS) stress model. Simulation of the SBL is more challenging than the daytime convective boundary layer (CBL) because nighttime turbulent motions are limited by buoyancy stratification, thus requiring fine grid resolution at the cost of immense computational resources. The intermittently turbulent SBL adds additional levels of complexity, requiring the model to not only sustain resolved turbulence during quiescent periods, but also to transition into a turbulent state under appropriate conditions. As a result, LES of the strongly stable SBL potentially requires even finer grid resolution, and has seldom been attempted. This dissertation takes a different approach. By improving the SFS representation of turbulence with a more sophisticated model, intermittently turbulent SBL is simulated, to our knowledge, for the first time in the LES literature. The turbulence closure is the dynamic reconstruction model (DRM), applied under an explicit filtering and reconstruction LES framework. The DRM is a mixed model that consists of subgrid scale (SGS) and resolved subfilter scale (RSFS) components. The RSFS portion is represented by a scale-similarity model that allows for backscatter of energy from the SFS to the mean flow. Compared to conventional closures, the DRM is able to sustain resolved turbulence under moderate stability at coarser resolution (thus saving computational resources). The DRM performs equally well at fine resolution. Under strong stability, the DRM simulates an intermittently turbulent SBL, whereas conventional closures predict false laminar flows. The improved simulation methodology of the SBL has many potential applications in the area of wind energy, numerical weather prediction, pollution modeling and so on. The SBL is first simulated over idealized flat terrain with prescribed forcings and periodic lateral boundaries. A wide range of stability regimes, from weakly to strongly stable conditions, is tested to evaluate model performance. Under strongly stable conditions, intermittency due to mean shear and turbulence interactions is simulated and analyzed. Furthermore, results of the strongly stable SBL are used to improve wind farm siting and nighttime operations. Moving away from the idealized setting, the SBL is simulated over relatively flat terrain at a Kansas site over the Great Plains, where the Cooperative Atmospheric-Surface Exchange Study - 1999 (CASES-99) took place. The LES obtains realistic initial and lateral boundary conditions from a meso-scale model reanalysis through a grid nesting procedure. Shear-instability induced intermittency observed on the night of Oct 5th during CASES-99 is reproduced to good temporal and magnitude agreement. The LES locates the origin of the shear-instability waves in a shallow upwind valley, and uncovers the intermittency mechanism to be wave breaking over a standing wave (formed over a stagnant cold-air bubble) across the valley. Finally, flow over the highly complex terrain of the Owens Valley in California is modeled with a similar nesting procedure. The LES results are validated with observation data from the 2006 Terrain-Induced Rotor Experiment (T-REX). The nested LES reproduces a transient nighttime warming event observed on the valley floor on April 17 during T-REX. The intermittency mechanism is shown to be through slope-valley flow transitions. In addition, a cold-air intrusion from the eastern valley sidewall is simulated. This generates an easterly cross-valley flow, and the associated top-down mixing through breaking Kelvin-Helmholtz billows is analyzed. Finally, the nesting methodology tested and optimized in the CASES-99 and T-REX studies is transferrable to general ABL applications. For example, a nested LES is performed to model daytime methane plume dispersion over a landfill and good results are obtained.

The stable boundary layer (SBL) has received less attention in atmospheric field studies, laboratory experiments, and numerical modeling than other states of the atmospheric boundary layer. The low intensity and potential intermittency of turbulence in the SBL make it difficult to measure and characterize its structure. Large-eddy simulation (LES) offers an approach for simulating the SBL and, in particular, its evolution from the onset of surface cooling. Traditional approaches that involve Reynolds-averaged models of turbulence are not able to simulate the stochastic nature of the intermittent turbulence that is associated with the SBL. LES shows promise in this area through its explicit calculation of turbulent eddies at resolved scales. In the LES approach, the Navier-Stokes equations governing the flow are averaged (filtered) over some small interval, such as one or more cells of the computational grid. The grid size is small enough so that large eddies, which carry most of the turbulent energy, are explicitly calculated. The turbulence associated with the subgrid-scale (SGS) eddies is modeled. In the Reynolds-averaging approach, on the other hand, the turbulence model must account for all scales of turbulence. Thus the advantage of LES is that the choice of turbulence parameterization for the SGS turbulence is not nearly as critical as in the Reynolds-averaged approach. Complications faced by turbulence models, such as anisotropy and pressure-strain correlations, are associated mainly with large, energy-containing eddies. LES offers the potential for more realistic simulations since the more complicated features of turbulence are calculated explicitly. The ability of LES to simulate the stochastic behavior of turbulence makes this approach suitable for developing and testing stochastic models of turbulent diffusion. One of the goals of the present work is to provide stochastic datasets to be used in such studies.

Research was performed using a turbulence boundary layer model to study the behavior of cold, dense flows in regions of complex terrain. Results show that flows develop a balance between turbulent entrainment of warm ambient air and dense, cold air created by surface cooling. Flow depth and strength is a function of downslope distance, slope angle and angle changes, and the ambient air temperature.

First concise textbook on Large-Eddy Simulation, a very important method in scientific computing and engineering From the foreword to the third edition written by Charles Meneveau: "... this meticulously assembled and significantly enlarged description of the many aspects of LES will be a most welcome addition to the bookshelves of scientists and engineers in fluid mechanics, LES practitioners, and students of turbulence in general."