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DOE OSTI2025

3D Continuous Forcing Dataset from 3D Constrained Variational Analysis at SGP

The continuous 3D large-scale forcing (VARANAL3D) data set derived from 3D constrained variational analysis (3DCVA) extends the conventional constrained variational analysis method by incorporating multiple sub-columns within the analysis domain. This advancement introduces spatial variability into the large-scale forcing fields, thereby enriching the data set’s applicability. The VARANAL3D data set spans from 2004 to 2018 and covers a region of 5˚×4.5˚ domain around the ARM SGP site. The analysis domain is divided into 10×9 sub-columns with 0.5˚ resolution. The 3D large-scale forcing data provides necessary variables to drive and evaluate single-column models (SCM), cloud-resolving models (CRM) ,and large-eddy simulations (LES), as well as information for testing model sensitivity to spatial variability of the large-scale forcing data, facilitating more rigorous testing and refinement of physical processes in SCM/CRM/LES.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1979

Computational aerodynamics development and outlook /Dryden Lecture in Research for 1979/

Some past developments and current examples of computational aerodynamics are briefly reviewed. An assessment is made of the requirements on future computer memory and speed imposed by advanced numerical simulations, giving emphasis to the Reynolds averaged Navier-Stokes equations and to turbulent eddy simulations. Experimental scales of turbulence structure are used to determine the mesh spacings required to adequately resolve turbulent energy and shear. Assessment also is made of the changing market environment for developing future large computers, and of the projections of micro-electronics memory and logic technology that affect future computer capability. From the two assessments, estimates are formed of the future time scale in which various advanced types of aerodynamic flow simulations could become feasible. Areas of research judged especially relevant to future developments are noted.

Chapman, D. R.↗

NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

The last two decades have witnessed tremendous growth in computational power, the development of computational fluid dynamics (CFD) codes which scale well over thousands of processors, and the refinement of unstructured grid-generation tools which facilitate rapid surface and volume gridding of complex geometries. Thus, engineering calculations of 10(exp 7) - 10(exp 8) finite-volume cells have become routine for some types of problems. Although the Reynolds Averaged Navier Stokes (RANS) approach to modeling turbulence is still in extensive and wide use, increasingly large-eddy simulation (LES) and hybrid RANS-LES approaches are being applied to resolve the largest scales of turbulence in many engineering problems. However, it has also become evident that LES places different requirements on the numerical approaches for both the spatial and temporal discretization of the Navier Stokes equations than does RANS. In particular, LES requires high time accuracy and minimal intrinsic numerical dispersion and dissipation over a wide spectral range. In this paper, the performance of both central-difference and upwind-biased spatial discretizations is examined for a one-dimensional acoustic standing wave problem, the Taylor-Green vortex problem, and the turbulent channel fl ow problem.

Morris, C. I.↗

NASA NTRS2013

Studies of Inviscid Flux Schemes for Acoustics and Turbulence Problems

Morris, Christopher I.↗

DOE OSTI2024

Discrete-Element and Material-Point Method (DEM and MPM) Based Solvers for Sustainable Technologies

We present the use of discrete element method (DEM) and material point method (MPM) in three relevant green technology applications that include biomass feedstock handling, lithium-ion battery manufacturing, and high-pressure reverse osmosis. Our open-source DEM and MPM solvers are developed using performance portable grid and particle management library, AMReX, thus enabling superior performance on NVIDIA and AMD GPUs with > 100 million particles. Our DEM solver resolves the motion of individual particles in a granular system and includes a bonded sphere method for modeling non-spherical particles along with Hertzian and liquid bridge-based contact models. We simulate highly variable biomass feedstock flows in large-scale hoppers for biofuel production and electrode calendering in battery manufacturing using DEM. Our simulations predict flow blockage in large scale biomass hoppers and electrode microstructure variations, thus providing valuable information for biofuel and battery manufacturers, respectively. The second half of the talk will be on MPM and its application towards pore resolved simulations of reverse osmosis membranes under compressive loads. We present a validation study of our MPM simulations with membrane microscopy imaging thus providing useful insights on membrane stability under high pressure conditions. We also present a spectral stability analysis of using linear hat, quadratic and cubic spline basis in MPM indicating regions of numerical stability.

BIOMASS FUELS,MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Pore Resolved Simulations of Joule Heating in Fibrous Media using an Embedded Boundary Method

Joule heating has been regarded as an energy-efficient and sustainable method for heating materials and gases at large scales. The modeling of local temperature effects at pore-resolved scales for such systems, however, has been difficult to achieve due to challenges in coupling thermo-chemical processes in complex porous media and in large representative volume elements (RVEs). To this end, we developed an electro-thermal model at the pore scale to study Joule heating effects in large heterogeneous systems with different microstructures. This was achieved using the level set method to implicitly delineate distinct regions within the domain, and an embedded boundary method to facilitate heat exchange across the fluid-solid interface. Moreover, we applied this method to investigate unsteady non-linear electro-thermal effects in non-woven fibrous graphite conductors for RVEs with characteristic lengths of 2 mm, with different fiber orientations, porosity (80% – 90%) and fiber diameters (10 – 20µm). The coupled equations were solved numerically and they produced peak temperatures greater than 2000 K resulting in heating rates as high as 80,000 K/s. Moreover, the results depended strongly on the microstructure of the fiber skeleton and current density. Geometries with large fibers (∼ 20µm) had the highest average and peak temperatures with the mean temperature increasing by 3.9 % while the peak temperature increased by 9.9 %. Anisotropic domains on the other hand had the lowest mean and peak temperatures with peak and mean temperatures of 2293 K and 1437.7K respectively representing a corresponding 12.1% and 5.1% drop in the temperatures. An increase in porosity from 80% to 90%, however, led to an increase in the peak temperature by 5.1%.

Joule heating↗

DOE OSTI2026

Zooming in: SCREAM at 100 m using regional refinement over the San Francisco Bay Area

Pushing global climate models to large-eddy simulation (LES) scales over complex terrain has remained a major challenge. This study presents the first known implementation of a global model – SCREAM (Simple Cloud-Resolving E3SM Atmosphere Model) – at 100 m horizontal resolution using a regionally refined mesh (RRM) over the San Francisco Bay Area. Two hindcast simulations were conducted to test performance under both strong synoptic forcing and weak, boundary-layer-driven conditions. We demonstrate that SCREAM can stably run at LES scales while realistically capturing topography, surface heterogeneity, and coastal processes. The 100 m SCREAM-RRM substantially improves near-surface wind speed, temperature, humidity, and pressure biases compared to the baseline 3.25 km simulation, and better reproduces fine-scale wind oscillations and boundary-layer structures. These advances leverage SCREAM's scale-aware SHOC turbulence parameterization, which transitions smoothly across scales without tuning. Performance tests show that while CPU-only simulations remain costly, GPU acceleration with SCREAMv1 on NERSC's Perlmutter system enables two-day hindcasts to complete in under two wall-clock days. Our results open the door to LES-scale studies of orographic flows, boundary-layer turbulence, and coastal clouds within a fully comprehensive global modeling framework.

Geosciences↗

NASA NTRS2009

Winter QPF Sensitivities to Snow Parameterizations and Comparisons to NASA CloudSat Observations

Steady increases in computing power have allowed for numerical weather prediction models to be initialized and run at high spatial resolution, permitting a transition from larger scale parameterizations of the effects of clouds and precipitation to the simulation of specific microphysical processes and hydrometeor size distributions. Although still relatively coarse in comparison to true cloud resolving models, these high resolution forecasts (on the order of 4 km or less) have demonstrated value in the prediction of severe storm mode and evolution and are being explored for use in winter weather events . Several single-moment bulk water microphysics schemes are available within the latest release of the Weather Research and Forecast (WRF) model suite, including the NASA Goddard Cumulus Ensemble, which incorporate some assumptions in the size distribution of a small number of hydrometeor classes in order to predict their evolution, advection and precipitation within the forecast domain. Although many of these schemes produce similar forecasts of events on the synoptic scale, there are often significant details regarding precipitation and cloud cover, as well as the distribution of water mass among the constituent hydrometeor classes. Unfortunately, validating data for cloud resolving model simulations are sparse. Field campaigns require in-cloud measurements of hydrometeors from aircraft in coordination with extensive and coincident ground based measurements. Radar remote sensing is utilized to detect the spatial coverage and structure of precipitation. Here, two radar systems characterize the structure of winter precipitation for comparison to equivalent features within a forecast model: a 3 GHz, Weather Surveillance Radar-1988 Doppler (WSR-88D) based in Omaha, Nebraska, and the 94 GHz NASA CloudSat Cloud Profiling Radar, a spaceborne instrument and member of the afternoon or "A-Train" of polar orbiting satellites tasked with cataloguing global cloud characteristics. Each system provides a unique perspective. The WSR-88D operates in a surveillance mode, sampling cloud volumes of Rayleigh scatterers where reflectivity is proportional to the sixth moment of the size distribution of equivalent spheres. The CloudSat radar provides enhanced sensitivity to smaller cloud ice crystals aloft, as well as consistent vertical profiles along each orbit. However, CloudSat reflectivity signatures are complicated somewhat by resonant Mie scattering effects and significant attenuation in the presence of cloud or rain water. Here, both radar systems are applied to a case of light to moderate snowfall within the warm frontal zone of a cold season, synoptic scale storm. Radars allow for an evaluation of the accuracy of a single-moment scheme in replicating precipitation structures, based on the bulk statistical properties of precipitation as suggested by reflectivity signatures.

Molthan, Andrew↗

DOE OSTI2025

The Method of Finite Averages

The Method of Finite Averages (MoFA) is a rigorous multiscale modeling methodology for efficiently modeling multi-physical phenomena in heterogeneous porous media. The code developed in this project aims to perform the numerical calculations required to formulate, implement, and verify MoFA models for Earth and Energy systems (i.e., model verification refers to performing fully-resolved simulations of the systems and comparing their results to those of the models). In general, MoFA transforms partial differential equations (PDEs) describing the fine-scale physics of a system into coupled ordinary differential equations (ODEs)---in time---that describe the coarse-scale---or "average"---physical behaviors of the system. This transformation significantly expedites system simulation, as the coarse-scale ODEs involve vastly fewer degrees of freedom than the fine-scale PDEs. The code developed under this project will allow users to 1.) generate system geometries and numerical meshes, 2.) solve the PDE and ODE systems required for MoFA model formulation and implementation, 3.) solve the PDE systems required to obtain fully-resolved simulation results for model verification, and 4.) compare and plot results (e.g., the model and fully-resolved simulation solutions, the error between the solutions, etc.).

Pietrzyk, KyleM [Lawrence Livermore National Labor↗

NASA NTRS2005

Cloud Properties Simulated by a Single-Column Model. Part II: Evaluation of Cumulus Detrainment and Ice-phase Microphysics Using a Cloud Resolving Model

This paper is the second in a series in which kilometer-scale-resolving observations from the Atmospheric Radiation Measurement program and a cloud-resolving model (CRM) are used to evaluate the single-column model (SCM) version of the National Centers for Environmental Prediction Global Forecast System model. Part I demonstrated that kilometer-scale cirrus properties simulated by the SCM significantly differ from the cloud radar observations while the CRM simulation reproduced most of the cirrus properties as revealed by the observations. The present study describes an evaluation, through a comparison with the CRM, of the SCM's representation of detrainment from deep cumulus and ice-phase microphysics in an effort to better understand the findings of Part I. It is found that detrainment occurs too infrequently at a single level at a time in the SCM, although the detrainment rate averaged over the entire simulation period is somewhat comparable to that of the CRM simulation. Relatively too much detrained ice is sublimated when first detrained. Snow falls over too deep of a layer due to the assumption that snow source and sink terms exactly balance within one time step in the SCM. These characteristics in the SCM parameterizations may explain many of the differences in the cirrus properties between the SCM and the observations (or between the SCM and the CRM). A possible improvement for the SCM consists of the inclusion of multiple cumulus cloud types as in the original Arakawa-Schubert scheme, prognostically determining the stratiform cloud fraction and snow mixing ratio. This would allow better representation of the detrainment from deep convection, better coupling of the volume of detrained air with cloud fraction, and better representation of snow field.

Luo, Yali↗

NASA NTRS1998

Tropical Oceanic Precipitation Processes over Warm Pool: 2D and 3D Cloud Resolving Model Simulations

Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere, The vertical distribution of convective latent-heat release modulates the large-scale circulations of the tropics, Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate models simulate cloud processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMS) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and cloud systems, The major objective of this paper is to investigate the latent heating, moisture and momenti,im budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (CCE) model which includes a 3-class ice-phase microphysical scheme, The model domain contains 256 x 256 grid points (using 2 km resolution) in the horizontal and 38 grid points (to a depth of 22 km depth) in the vertical, The 2D domain has 1024 grid points. The simulations are performed over a 7 day time period. We will examine (1) the precipitation processes (i.e., condensation/evaporation) and their interaction with warm pool; (2) the heating and moisture budgets in the convective and stratiform regions; (3) the cloud (upward-downward) mass fluxes in convective and stratiform regions; (4) characteristics of clouds (such as cloud size, updraft intensity and cloud lifetime) and the comparison of clouds with Radar observations. Differences and similarities in organization of convection between simulated 2D and 3D cloud systems. Preliminary results indicated that there is major differences between 2D and 3D simulated stratiform rainfall amount and convective updraft and downdraft mass fluxes.

Tao, W.- K.↗

NASA NTRS1988

An investigation of turbulence models

The accuracy to which a turbulent boundary layer or wake can be predicted numerically depends on the validity of the turbulence closure model used. The modeling of turbulence physics is one of the most difficult problems in computational fluid dynamics (CFD). In fact, it is one of the pacing factors in the development of CFD. In general, there are three main approaches to the description of trubulence physics. First is turbulence modeling in which the Reynolds averaged Navier-Stokes equations are used and some closure approximation is made for the Reynolds stresses. A second approach to turbulence is large eddy simulation (LES) in which the computational mesh is taken to be fine enough that the large scale structure of the turbulence can be calculated directly. An empirical assumption must be made for the small scale sub-grid turbulence. The third approach is direct simulation. In this technique the Navier-Strokes equations are solved directly on a mesh which if fine enough to resolve the smallest length scale of the turbulence. The Reynolds averaged equations are not used and no closure assumption is required. These last two approaches require extensive computer resources and as such are not engineering tools. The purpose of the work was to investigate the various engineering turbulence models for accuracy and ease of programming. This involved comparison of the models with each other and with experimental data.

Doria, Michael L.↗

NASA NTRS1997

Parallel Multiscale Algorithms for Astrophysical Fluid Dynamics Simulations

Our goal is to develop software libraries and applications for astrophysical fluid dynamics simulations in multidimensions that will enable us to resolve the large spatial and temporal variations that inevitably arise due to gravity, fronts and microphysical phenomena. The software must run efficiently on parallel computers and be general enough to allow the incorporation of a wide variety of physics. Cosmological structure formation with realistic gas physics is the primary application driver in this work. Accurate simulations of e.g. galaxy formation require a spatial dynamic range (i.e., ratio of system scale to smallest resolved feature) of 104 or more in three dimensions in arbitrary topologies. We take this as our technical requirement. We have achieved, and in fact, surpassed these goals.

Norman, Michael L.↗

NASA NTRS2015

Analytic Method to Estimate Particle Acceleration in Flux Ropes

The mechanism that accelerates particles to the energies required to produce the observed high-energy emission in solar flares is not well understood. Drake et al. (2006) proposed a kinetic mechanism for accelerating electrons in contracting magnetic islands formed by reconnection. In this model, particles that gyrate around magnetic field lines transit from island to island, increasing their energy by Fermi acceleration in those islands that are contracting. Based on these ideas, we present an analytic model to estimate the energy gain of particles orbiting around field lines inside a flux rope (2.5D magnetic island). We calculate the change in the velocity of the particles as the flux rope evolves in time. The method assumes a simple profile for the magnetic field of the evolving island; it can be applied to any case where flux ropes are formed. In our case, the flux-rope evolution is obtained from our recent high-resolution, compressible 2.5D MHD simulations of breakout eruptive flares. The simulations allow us to resolve in detail the generation and evolution of large-scale flux ropes as a result of sporadic and patchy reconnection in the flare current sheet. Our results show that the initial energy of particles can be increased by 2-5 times in a typical contracting island, before the island reconnects with the underlying arcade. Therefore, particles need to transit only from 3-7 islands to increase their energies by two orders of magnitude. These macroscopic regions, filled with a large number of particles, may explain the large observed rates of energetic electron production in flares. We conclude that this mechanism is a promising candidate for electron acceleration in flares, but further research is needed to extend our results to 3D flare conditions.

Energetic particle acceleration↗

NASA NTRS2001

Tropical Oceanic Precipitation Processes Over Warm Pool: 2D and 3D Cloud Resolving Model Simulations

Rainfall is a key link in the hydrologic cycle as well as the primary heat source for the atmosphere. The vertical distribution of convective latent-heat release modulates the large-scale circulations of the topics. Furthermore, changes in the moisture distribution at middle and upper levels of the troposphere can affect cloud distributions and cloud liquid water and ice contents. How the incoming solar and outgoing longwave radiation respond to these changes in clouds is a major factor in assessing climate change. Present large-scale weather and climate model simulate processes only crudely, reducing confidence in their predictions on both global and regional scales. One of the most promising methods to test physical parameterizations used in General Circulation Models (GCMs) and climate models is to use field observations together with Cloud Resolving Models (CRMs). The CRMs use more sophisticated and physically realistic parameterizations of cloud microphysical processes, and allow for their complex interactions with solar and infrared radiative transfer processes. The CRMs can reasonably well resolve the evolution, structure, and life cycles of individual clouds and clouds systems. The major objective of this paper is to investigate the latent heating, moisture and momentum budgets associated with several convective systems developed during the TOGA COARE IFA - westerly wind burst event (late December, 1992). The tool for this study is the Goddard Cumulus Ensemble (GCE) model which includes a 3-class ice-phase microphysics scheme.

Tao, W.-K.↗

NASA NTRS1991

Automatic analysis of stereoscopic satellite image pairs for determination of cloud-top height and structure

Results are presented on an automatic stereo analysis of cloud-top heights from nearly simultaneous satellite image pairs from the GOES and NOAA satellites, using a massively parallel processor computer. Comparisons of computer-derived height fields and manually analyzed fields show that the automatic analysis technique shows promise for performing routine stereo analysis in a real-time environment, providing a useful forecasting tool by augmenting observational data sets of severe thunderstorms and hurricanes. Simulations using synthetic stereo data show that it is possible to automatically resolve small-scale features such as 4000-m-diam clouds to about 1500 m in the vertical.

Hasler, A. F.↗

DOE OSTI2026

Long-Range Dispersion Governs the Behavior of Near-Critical Fluids: Universal Scaling and Implications for Accurate Molecular Simulation

Computer simulations of near-critical and supercritical fluids often deviate from experimental results, a discrepancy commonly attributed to force-field resolutions and inaccuracies. We demonstrate that these errors primarily stem from using finite cutoff schemes for dispersion interactions, which become effectively long-range as the correlation length grows near the critical point. By employing the smooth particle-mesh Ewald method to account for full long-range dispersion, we show that coarse-grained models can also achieve high quantitative accuracy for n-undecane and propylbenzene. This approach enables the precise determination of density fluctuations and correlation lengths, which exhibit universal critical scaling and depend on the molecular size and shape. Our findings resolve a longstanding debate in molecular simulations of near-critical fluids, establishing that capturing long-wavelength fluctuations is essential for bridging the gap between the microscopic behavior and macroscopic critical phenomena.

Chen, Guang↗

DOE OSTI2025

Multiscale Modeling Framework Using Element‐Based Galerkin Methods for Moist Atmospheric Limited‐Area Simulations

This paper presents a multiscale modeling framework (MMF) to model moist atmospheric limited-area weather. The MMF resolves large-scale convection using a coarse grid while simultaneously resolving local features through numerous fine local grids and coupling them seamlessly. Both large- and small-scale processes are modeled using the compressible Navier-Stokes equations within the Nonhydrostatic Unified Model of the Atmosphere (NUMA), and are discretized using a continuous element-based Galerkin method (spectral elements) with high-order basis functions. Consequently, the large-scale and small-scale models share the same dynamical core but have the flexibility to be adjusted individually. The proposed MMF method is tested in 2D and 3D idealized limited-area weather problems involving storm clouds produced by squall line and supercell simulations. Numerical results from the MMF showed enhanced representation of cloud processes compared to the coarse model.

Kang, Soonpil [Naval Postgraduate School, Monterey↗