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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A Case Study of the Weather Research and Forecasting Model Applied to the Joint Urban 2003 Tracer Field Experiment. Part III: Boundary-Layer Parametrizations

Numerical weather prediction is often used to supply the mean wind and turbulence fields for atmospheric transport and dispersion plume models as they provide dense geographic coverage in comparison to typically sparse monitoring networks. Here, the Weather Research and Forecasting (WRF) model 4.0 was run over the month-long period of the Joint Urban 2003 field campaign conducted in Oklahoma City. We compare three different simulations in their ability to reproduce the observations, each using a different boundary-layer parametrization. Specifically, we examine the Mellor–Yamada–Janjic (MYJ), Yonsei University (YSU), and Mellor–Yamada–Nakanishi–Niino (MYNN) boundary-layer parametrizations. All three predict the wind speed well during the day but overpredict it at night. The MYNN parametrization is better than MYJ at predicting the daytime turbulence in the surface layer, but both underpredict the nocturnal turbulence. Additionally, the MYJ parametrization is best at predicting the reciprocal Obukhov length, while MYNN and YSU both significantly overpredict thermal stability. Reconstructing the reciprocal Obukhov length from other simulated parameters produces more accurate values for both parametrizations. All three models overpredict the boundary-layer height, particularly under convective conditions. The MYJ parametrization overestimates boundary-layer height the most, while YSU and MYNN have comparable performance with MYNN having an advantage in predicting the stable boundary-layer height. Several days were found where the WRF simulations predict significant deviations from the prevailing diurnal pattern in wind direction, which are not found in the observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Numerical case study of the aerosol–cloud interactions in warm boundary layer clouds over the eastern North Atlantic with an interactive chemistry module

The presence of warm boundary layer stratiform clouds over the eastern North Atlantic (ENA) region is commonly influenced by the Azores High, especially during the summer season. To investigate comprehensive aerosol–cloud interactions, this study employs the Weather Research and Forecasting model coupled with a chemistry component (WRF-Chem), incorporating aerosol chemical components that are relevant to the formation of cloud condensation nuclei (CCN) and accounting for aerosol spatiotemporal variation. This study focuses on aerosol indirect effects, particularly the long-range transport of aerosols, in the ENA region under three different weather regimes: a ridge with a surface high-pressure system, a post-trough with a surface high-pressure system, and a weak trough. The WRF-Chem simulations conducted at a near-large-eddy scale offer valuable insights into the model's performance, especially in terms of its ability to use high spatial resolution to capture mesoscale cloud features across various weather regimes. Our result shows that introducing 5 times more aerosols to either non-precipitating or precipitating clouds significantly increases ambient CCN numbers, resulting in, to varying degrees, higher liquid water path (LWP) values. The substantial aerosol–cloud interaction especially occurs in the precipitating clouds and demonstrates the susceptibility of the LWP to changes in CCN under different regimes. Conversely, thin, non-rain clouds at the edges of a cloud system are prone to evaporation, exhibiting an aerosol drying effect. The aerosols released during this process transition back to the accumulation mode, facilitating future activation. This dynamic behavior is not adequately represented in prescribed-aerosol simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Direct numerical simulation of hypersonic turbulent boundary layers: effect of spatial evolution and Reynolds number

Direct numerical simulations (DNS) are performed to investigate the spatial evolution of flat-plate zero-pressure-gradient turbulent boundary layers over long streamwise domains ( >300δ i , with δ i the inflow boundary-layer thickness) at three different Mach numbers, 2.5, 4.9 and 10.9, with the surface temperatures ranging from quasiadiabatic to highly cooled conditions. The settlement of turbulence statistics into a fully developed equilibrium state of the turbulent boundary layer has been carefully monitored, either based on the satisfaction of the von Kármán integral equation or by comparing runs with different inflow turbulence generation techniques. The generated DNS database is used to characterize the streamwise evolution of multiple important variables in the high-Mach-number, cold-wall regime, including the skin friction, the Reynolds analogy factor, the shape factor, the Reynolds stresses, and the fluctuating wall quantities. The data confirm the validity of many classic and newer compressibility transformations at moderately high Reynolds numbers (up to friction Reynolds number Re τ ≈1200 ) and show that, with proper scaling, the sizes of the near-wall streaks and superstructures are insensitive to the Mach number and wall cooling conditions. The strong wall cooling in the hypersonic cold-wall case is found to cause a significant increase in the size of the near-wall turbulence eddies (relative to the boundary-layer thickness), which leads to a reduced-scale separation between the large and small turbulence scales, and in turn to a lack of an outer peak in the spanwise spectra of the streamwise velocity in the logarithmic region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Direct numerical simulations for hybrid rocket boundary layers: Performance modeling and scaling

This paper presents a comprehensive performance and scaling analysis of direct numerical simulations for reacting boundary layers, focusing on slab burner configurations. Using a PETSc-based finite volume CFD framework, the study evaluates the scalability and computational cost of flow, chemistry, and radiation evaluations across 2D and 3D simulations. Polymethyl methacrylate (PMMA) is the fuel with pure O 2 as the oxidizer, modeled using a detailed chemical kinetics mechanism with 113 species and 660 reactions. A ray-tracing-based radiation solver, designed for distributed memory applications, is implemented to model radiation heat transfer. Parallel scalability is analyzed for the coupled flow, chemistry, and radiation heat transfer processes. Weak and strong scaling studies are conducted on up to 15,000 computational ranks, revealing robust performance when flow cells exceed 200 per rank. Chemistry evaluations dominate the computational cost in large 3D simulations, accounting for approximately 40% of the total runtime, while flow processes contribute around 35%, and radiation solver contributions remain below 10% due to reduced evaluation frequencies. GPU accelerated chemistry evaluation, implemented with Zero-RK, demonstrates significant promise, achieving up to a 4x speedup for workloads exceeding 30,000 cells per GPU. However, diminishing returns are observed for smaller workloads due to CPU-GPU communication overhead. This study identifies key challenges, including memory bottlenecks and the effects of domain partitioning on flow scalability, while highlighting the potential of GPU-accelerated chemistry to reduce computational costs. In conclusion, these findings provide realizable run configurations for 2D, 3D, and GPU-accelerated cases, offering insights for optimizing reactive flow solvers.

CFD Scalability↗
DOE OSTI2023

A Moving-Wave Implementation in WRF to Study the Impact of Surface Water Waves on the Atmospheric Boundary Layer

Abstract While numerous modeling studies have focused on the interaction of ocean surface waves with the atmospheric boundary layer, most employ idealized waves that are either monochromatic or synthetically generated from a theoretical wave spectrum, and the atmospheric solvers are typically incompressible. To study wind–wave coupling in real-world scenarios, a model that can simulate both realistic meteorological and wave conditions is necessary. In this paper we describe the implementation of a moving bottom boundary condition into the Weather Research and Forecasting Model for large-eddy simulation applications. We first describe the moving bottom boundary conditions within WRF’s pressure-based vertical coordinate system. We then validate our code with idealized test cases that have analytical solutions, including flow over a monochromatic wave with and without viscosity. Finally, we present results from turbulent flows over a moving monochromatic wave with different wave ages, and demonstrate satisfactory agreement of the wave growth rate with results from the literature. We also compare atmospheric stress and wind parameters from two physically equivalent cases. The first specifies a wind moving in the same direction as a propagating wave, while the second involves a stationary wave with the wind adjusted such that the wind relative to the wave is the same as in the first case. Results indicate that the velocity and Reynolds stress profiles for the two cases match, further validating the moving bottom implementation.

17 WIND ENERGY↗
DOE OSTI2021

Direct numerical simulation of single-species and binary-species boundary layers at high pressure

Direct numerical simulations of single-species and binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate flow physics in a binary-species boundary layer at high pressure, with special attention to mass diffusion. The working fluids are nitrogen in the single-species cases, and a mixture of nitrogen and methane in the binary-species cases. An investigation of mean profiles shows that velocity and temperature profiles have steep gradients near the wall, whereas the mass fraction profiles do not have a steep gradient. This result indicates that the similarity law between velocity, temperature and mass fraction does not hold true in the binary-species boundary layer. The comparison of turbulent fluctuations shows that the qualitative characteristics of velocity and temperature are similar to each other. In contrast, profiles of mass fraction fluctuations are largely different from those of velocity and temperature. This result indicates that mass diffusion is not similar to momentum and thermal diffusions in binary-species boundary layers.

Toki, Takahiko↗
DOE OSTI2019

Fast domain-aware neural network emulation of a planetary boundary layer parameterization in a numerical weather forecast model

Abstract. Parameterizations for physical processes in weather and climate models are computationally expensive. We use model output from the Weather Research Forecast (WRF) climate model to train deep neural networks (DNNs) and evaluate whether trained DNNs can provide an accurate alternative to the physics-based parameterizations. Specifically, we develop an emulator using DNNs for a planetary boundary layer (PBL) parameterization in the WRF model. PBL parameterizations are used in atmospheric models to represent the diurnal variation in the formation and collapse of the atmospheric boundary layer – the lowest part of the atmosphere. The dynamics and turbulence, as well as velocity, temperature, and humidity profiles within the boundary layer are all critical for determining many of the physical processes in the atmosphere. PBL parameterizations are used to represent these processes that are usually unresolved in a typical climate model that operates at horizontal spatial scales in the tens of kilometers. We demonstrate that a domain-aware DNN, which takes account of underlying domain structure (e.g., nonlocal mixing), can successfully simulate the vertical profiles within the boundary layer of velocities, temperature, and water vapor over the entire diurnal cycle. Results also show that a single trained DNN from one location can produce predictions of wind speed, temperature, and water vapor profiles over nearby locations with similar terrain conditions with correlations higher than 0.9 when compared with the WRF simulations used as the training dataset.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Influence of the Soret effect on binary-species boundary layers at high pressure

Direct numerical simulations of binary-species temporal boundary layers at high pressure are performed. The main objective is to investigate the influence of the Soret effect on flow physics of binary-species boundary layers where the fluid has a uniform composition. The working fluid is a mixture of 25 % methane and 75 % nitrogen in mass fraction. Although the fluid composition is uniform at the initial condition, the mass fraction of methane increases near the wall when the wall temperature is hotter than the free stream temperature, whereas it decreases when the wall temperature is colder. The non-uniform mass fraction indicates that the uphill diffusion occurs near the wall. Investigation of fluctuations of the mass fraction reveals that the mass fraction fluctuates in the whole boundary layer, indicating that the uphill diffusion occurs even far from the wall. Examination of the species-mass diffusion balance for mean flow fields clarified that the Soret effect flux becomes large near the wall, and the large flux causes the non-uniform profile of the mass fraction near the wall.

Binary Diffusion Coefficient↗
DOE OSTI2019

Absorbing boundary condition (ABC) and perfectly matched layer (PML) in numerical beam propagation: a comparison

The absorbing boundary condition (ABC) and the perfectly matched layer (PML) are employed to suppress the numerical reflections in wave propagation methods. The PML has earlier been shown to fail at the grazing angle propagation of beam. The ABC is preferred over the PML where refractive index is not an analytic function. We have explored the performance of the ABC in reflection-less absorption of non-paraxial propagation of beams and have compared it against the PML. We have considered an example of the propagation of Gaussian beams through a homogeneous medium terminated with ABC or PML. We have used the collocation method for propagation. We have found that both the boundary conditions are comparable in performance. The ABC performed relatively better than the PML for beams at smaller angles. However, the performance of the PML is better than that of the ABC at larger tilt angles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Investigation of species-mass diffusion in binary-species boundary layers at high pressure using direct numerical simulations

Here, direct numerical simulations of single-species and binary-species temporal boundary layers at high pressure are performed with special attention to species-mass diffusion. The working fluids are nitrogen or a mixture of nitrogen and methane. Mean profiles and turbulent fluctuations of mass fraction show that their qualitative characteristics are different from those of streamwise velocity and temperature, due to the different boundary conditions. In a wall-parallel plane near the wall, the streamwise velocity and temperature have streaky patterns and the fields are similar. However, the mass fraction field at the same location is different from the streamwise velocity and temperature fields indicating that species-mass diffusion is not similar to the momentum and thermal diffusion. In contrast, at the centre and near the edge of the boundary layer, the mass fraction and temperature fields have almost the same pattern, indicating that the similarity between thermal and species-mass diffusion holds away from the wall. The lack of similarity near the wall is traced to the Soret effect that induces a temperature-gradient-dependent species-mass flux. As a result, a new phenomenon has been identified for a non-isothermal binary-species system – uphill diffusion, which in its classical isothermal definition can only occur for three or more species. A quadrant analysis for the turbulent mass flux reveals that near the wall the Soret effect enhances the negative contributions of the quadrants. Due to the enhancement of the negative contributions, small species-concentration fluid tends to be trapped near the wall.

42 ENGINEERING↗
DOE OSTI2022

On the enhancement of boundary layer skin friction by turbulence: an angular momentum approach

Turbulence enhances the wall shear stress in boundary layers, significantly increasing the drag on streamlined bodies. Other flow features such as free stream pressure gradients and streamwise boundary layer growth also strongly influence the local skin friction. In this paper, an angular momentum integral (AMI) equation is introduced to quantify these effects by representing them as torques that alter the shape of the mean velocity profile. This approach uniquely isolates the skin friction of a Blasius boundary layer in a single term that depends only on the Reynolds number most relevant to the flow's engineering context, so that other torques are interpreted as augmentations relative to the laminar case having the same Reynolds number. The AMI equation for external flows shares this key property with the so-called FIK relation for internal flows (Fukagata et al. , Phys. Fluids , vol. 14, 2002, pp. L73–L76). Without a geometrically imposed boundary layer thickness, the length scale in the Reynolds number for the AMI equation may be chosen freely. After a brief demonstration using Falkner–Skan boundary layers, the AMI equation is applied as a diagnostic tool on four transitional and turbulent boundary layer direct numerical simulation datasets. Regions of negative wall-normal velocity are shown to play a key role in limiting the peak skin friction during the late stages of transition, and the relative strengths of terms in the AMI equation become independent of the transition mechanism a very short distance into the fully turbulent regime. The AMI equation establishes an intuitive, extensible framework for interpreting the impact of turbulence and flow control strategies on boundary layer skin friction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Impacts of the Thermal Gradient on Inland Advecting Sea Breezes in the Southeastern United States

Sea breezes are frequently observed in the South Carolina/Georgia region of the Southeastern United States (SEUS) and can reach upwards of 150km inland. This region is unique among the places frequently affected by sea breeze due to it being a continental location with relatively flat topography. The thermal gradient between land and water environments is a factor in introducing the sea breeze, but its role in the inland extent of sea breeze propagation isn’t as well known. We investigate the role of the thermal gradient in previously catalogued sea breeze events observed at the Savannah River Site (SRS) by taking differences of temperature measurements at inland and coastal weather stations for the days that the events occurred. We saw that the temperature differences for those days were much higher than in the non-sea breeze days during the mornings and afternoon. Numerical models were also used to conduct a sensitivity study on a sea breeze case, using simple modifications of the temperature gradient. We found that while the modifications did not stop the generation of a sea breeze circulation, the extent of the inland propagation was dependent on the magnitude of the thermal gradient.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Direct Numerical Simulation of Hypersonic Turbulent Boundary Layer Flow using SPARC: Initial Evaluation

This report documents the initial testing of the Sandia Parallel Aerodynamics and Reentry Code (SPARC) to directly simulate hypersonic, turbulent boundary layer flow over a sharp 7- degree half-angle cone. This type of computation involves a tremendously large range of scales both in time and space, requiring a large number of grid cells and the efficient utilization of a large pool of resources. The goal of the simulation is to mimic and verify a wind tunnel experiment that seeks to measure the turbulent surface pressure fluctuations. These data are necessary for building a model to predict random vibration loading in the reentry flight environment. A low-dissipation flux scheme in SPARC is used on a 2.7 billion cell mesh to capture the turbulent fluctuations in the boundary layer flow. The grid is divided into 115200 partitions and simulated using the Knight's Landings (KNL) partition of the Trinity system. The parallel performance of SPARC is explored on the Trinity system, as well as some of the other new architectures. Extracting data from the simulation shows good agreement with the experiment as well as a colleague's simulation. The data provide a guide for which a new model can be built for better prediction of the reentry random vibration loads.

42 ENGINEERING↗
DOE OSTI2021

S0 Uncrewed Aircraft System Measurement Characterization Field Campaign Report

The lower atmosphere contributes directly to the modulation of weather and climate. Understanding the importance of this part of the atmosphere, scientists have worked to improve the representation of the atmospheric boundary layer in numerical prediction tools. Such work depends upon information from observing systems, including remote sensors, weather balloons, and research aircraft. Recent years have seen significant advances in uncrewed aircraft systems (UAS) for atmospheric research. Those efforts have provided new perspectives on atmospheric and surface conditions, particularly from smaller UAS (sUAS) platforms. This field campaign included collection of data using several sUAS, and comparing the sUAS data to those from different observing facilities at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) observatory in Oklahoma. Over the course of one week, the Black Swift Technologies and University of Nebraska teams conducted flights for the sole purpose of system evaluation and intercomparison. In addition, these teams conducted joint flight operations at the Marshall, Oklahoma Mesonet site alongside teams from the University of Colorado, University of Oklahoma, and Oklahoma State University to collect additional data for side-by-side comparison. Platforms operated by Black Swift Technologies and the University of Nebraska under this project included one fixed-wing and two rotary-wing platforms, as well as an instrumented surface vehicle. These include the Black Swift Technologies S0 UAS, the University of Nebraska M600 UAS, a University of Nebraska-operated Meteomatics Meteodrone UAS, and the University of Nebraska CoMeT (Combined Mesonet and Tracker) vehicle. Additional details on all of these platforms can be found in de Boer et al. (in prep). In total, 95 sUAS flights were conducted for a combined total of 18.6 flight hours. The S0 was operated both to the south and north of the SGP 60 m tower, while the M600 and Meteodrone were operated directly to the east of the tower. Weather conditions were generally good, with moderate winds. Flights were conducted both to follow the extra radiosondes that were launched as part of this campaign, as well as to conduct extended statistical sampling at tower instrument heights. The later flights also provided data for statistical platform intercomparison.

54 ENVIRONMENTAL SCIENCES↗