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DOE OSTI2023

Dynamic Subgrid Turbulence Modeling for Shallow Cumulus Convection Simulations beyond LES Resolutions

A scale-dependent dynamic Smagorinsky model is implemented in the Met Office/NERC Cloud (MONC) model using two averaging flavors, along Lagrangian pathlines and local moving averages. The dynamic approaches were compared against the conventional Smagorinsky–Lilly scheme in simulating the diurnal cycle of shallow cumulus convection. The simulations spanned from the LES to the near-gray-zone and gray-zone resolutions and revealed the adaptability of the dynamic model across the scales and different stability regimes. The dynamic model can produce a scale- and stability-dependent profile of the subfilter turbulence length scale across the chosen resolution range. At gray-zone resolutions the adaptive length scales can better represent the early precloud boundary layer leading to temperature and moisture profiles closer to the LES compared to the standard Smagorinsky. As a result, the initialization and general representation of the cloud field in the dynamic model is in good agreement with the LES. In contrast, the standard Smagorinsky produces a less well-mixed boundary layer, which fails to ventilate moisture from the boundary layer, resulting in the delayed spinup of the cloud layer. Moreover, strong downgradient diffusion controls the turbulent transport of scalars in the cloud layer. However, the dynamic approaches rely on the resolved field to account for nonlocal transports, leading to overenergetic structures when the boundary layer is fully developed and the Lagrangian model is used. Introducing the local averaging version of the model or adopting a new Lagrangian time scale provides stronger dissipation without significantly affecting model behavior.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1990

Comparison of model- and full-scale wind-tunnel performance

Experimental results from the Integrated Systems Test of the upgraded National Full-Scale Aerodynamics Complex 40- by 80-ft wind tunnel located at NASA Ames Research Center, which took place in 1987, are compared with results obtained with a 1/50 scale model of the wind tunnel. Test-section flow characteristics, air-exchange performance, total pressure distributions, and wall-static pressure distributions obtained with the model- and full-scale facilities are compared. The 1/50-scale model data were used to predict qualitative performance trends of the full-scale facility during investigation of design changes. Despite large differences in scale and Reynolds number between the two tunnels, quantitative agreement between certain model and full-scale performance characteristics was quite good.

Smith, Brian E.↗

NASA NTRS2013

North Atlantic Simulations in Coordinated Ocean-Ice Reference Experiments Phase II (CORE-II). Part I: Mean States

Simulation characteristics from eighteen global ocean-sea-ice coupled models are presented with a focus on the mean Atlantic meridional overturning circulation (AMOC) and other related fields in the North Atlantic. These experiments use inter-annually varying atmospheric forcing data sets for the 60-year period from 1948 to 2007 and are performed as contributions to the second phase of the Coordinated Oceanice Reference Experiments (CORE-II). The protocol for conducting such CORE-II experiments is summarized. Despite using the same atmospheric forcing, the solutions show significant differences. As most models also differ from available observations, biases in the Labrador Sea region in upper-ocean potential temperature and salinity distributions, mixed layer depths, and sea-ice cover are identified as contributors to differences in AMOC. These differences in the solutions do not suggest an obvious grouping of the models based on their ocean model lineage, their vertical coordinate representations, or surface salinity restoring strengths. Thus, the solution differences among the models are attributed primarily to use of different subgrid scale parameterizations and parameter choices as well as to differences in vertical and horizontal grid resolutions in the ocean models. Use of a wide variety of sea-ice models with diverse snow and sea-ice albedo treatments also contributes to these differences. Based on the diagnostics considered, the majority of the models appear suitable for use in studies involving the North Atlantic, but some models require dedicated development effort. atmospheric forcing atmospheric temperatures

ocean model comparisons↗

NASA NTRS2021

Using Remote Sensing to Monitor the Spring Phenology of Acadia National Park Across Elevational Gradients

Greenup dates and their responses to elevation and temperature variations across the mountains of Acadia National Park are monitored using remote sensing data, including Landsat 8 surface reflectances (at a 30-m spatial resolution) and VIIRS reflectances adjusted to a nadir view (gridded at a 500-m spatial resolution), during the 2013–2016 growing seasons. The 30-m resolution provides a better scale for studying the phenology variation across elevational gradients than the 500-m resolution, as greenup dates monitored at 30-m scale have better agreement with leaf-out dates recorded in the field alongside the north–south-oriented hiking trails on three of the park’s tallest mountains (466 m, 418 m, and 380 m), and can provide landcover-specific analysis. The spring phenology responses to temperature and elevation vary among different spatial scales. Greenup dates of Acadia National Park monitored at 30-m scale show a weak advancing trend with higher spring temperature, while greenup dates monitored at 500 m show a weak delaying trend. The species mix within landcover at 30-m scale could weaken the advancing trend detected at field observation level. The landcover mix and elevation variation within 500-m scale could alter the spring phenology response to spring temperature variation. Greenup dates monitored at both 30-m and 500-m scales vary among different elevational zones, aspects, landcovers, and years. However, the relationship between greenup dates and elevation is rather weak.

Yan Liu↗

DOE OSTI2021

Development of Energy Storage: Cost models

Energy storage technologies offer a promising solution to electric grid stability issues associated with the integration of variable renewable generators. The capability to match the electrical power output to instantaneous fluctuations in grid demand is crucial to ensure continuity of service. Including energy storage capability in an integrated energy system (IES) can provide the flexibility needed to meet variable electric demand and reduce the load following demands place on the reactor. In this report, economic data collected for energy storage (ES) technologies are described to support the objective of assessing the profitability of ES integration within the IES framework. In particular, there is a growing interest in thermal energy storage (TES) given its unique capability for long-duration storage for improving electricity reliability at a low levelized cost. It is common practice to evaluate the total lifetime cost and profitability before commercializing new technologies. In this report we identify and examine the models needed to better understand the economics of thermal energy storage. We extend the TES cost model in RAVEN in the context of a balance of plant (BOP) that incorporates thermal storage. To focus the discussion, following a general overview of the most promising TES technologies, we consider a use case that involves a sensible heat, two-tank, molten-salt system. Structural and operational details are reported to identify the source of construction capital expenditure and operation and maintenance cost. A detailed description of the different cost items is provided as well as the cost scaling with different storage capacity and power ratings for capacity optimization purpose. In addition, the capital expenditure and the recurring cost of representative two-tank, molten salt coupled with concentrated solar plants are provided for readers’ reference. The ES use case is noteworthy as it is in the pilot stage of commercialization. We identify those areas that would benefit from an increased economic focus to obtain a more complete compilation of cost data. We also describe the thermal coupling issues that arise from integration of the two-tank molten salt thermal energy storage system with a BOP, which is the subject of our current research. Some components of costs will need to be evaluated through dedicated technoeconomic analysis in future modeling activities using modeling procedures proposed in this report. With the data presented and the procedures described in this report, sufficiently accurate models can be implemented for the solution of both the power dispatch and the capacity expansion problems within the RAVEN-based HYBRID framework.

25 ENERGY STORAGE↗

NASA NTRS2004

Nitrogen Isotopic Imaging of Tagish Lake Carbon Globules

Chondritic meteorites and interplanetary dust particles commonly exhibit significant enrichments in deuterium (D) and N-15 relative to terrestrial materials. These anomalies are usually ascribed to low temperature chemical processes occurring in a presolar cold molecular cloud and/or physically similar regions of the outer solar nebula. The sizes of these anomalies vary considerably among different classes of meteorites, in some cases on a microscopic scale, reflecting differing degrees of alteration and dilution of the presolar components owing to parent body processing.

Messenger, S.↗

DOE OSTI2021

Dynamic Mode Decomposition of Random Pressure Fields over Bluff Bodies

Fluctuating surface pressures on a bluff body exposed to a boundary layer flow generally are characterized as a spatiotemporally varying random field. In this paper, a dynamic mode decomposition (DMD) was applied to extract dominant features embedded in these random pressure fields. Utilizing an unsupervised machine learning algorithm, spatial modes and their temporal variations were grouped into different clusters at scales, e.g., macro, meso, and micro. A proper orthogonal decomposition (POD) of the experimental data was carried out to observe commonalities and distinctive perspectives each decomposition offers. Here, a comprehensive examination of the DMD/POD for their convergence criteria, data sufficiency, and modal components analysis was conducted. The physical interpretation of the spatiotemporal pressure field based on these decomposition schemes was discussed. At different scales, the DMD modes can capture the evolution of aerodynamic features, e.g., convection of vortices (or vortex tubes) and other structures. The distribution of energy among these three broad scales also reflects an energy cascade in pressure fluctuations akin to turbulence.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

The objective of this work is to provide a valuable database from controlled experiments for validating computational models. Recently, coarse-grained techniques such as particle-in-cell (PIC) or coarse-grained discrete element modeling (DEM) have gained popularity due to their computational efficiency while modeling large-scale systems; however, the influence of model parameters and their sensitivities at different geometric scales and flow conditions remain to be analyzed. These datasets are critical for the multiphase flow research community to assess predictive capability of modeling techniques as well as elucidate the hydrodynamic behavior in these systems. This study performed fluidization experiments using three different test sections with internal diameters of 2.5, 4, and 6 in. The operating conditions, bed material, and range of flow velocities at the inlet were constant in all the units, which were not hydrodynamically scaled. Glass beads having a Sauter Mean Diameter of 332 μm were used. Superficial velocity was varied from 2.97 to 5.35 times the minimum fluidization velocity and the initial static bed height was 0.1524 m. The order in which the experiments were performed was randomized and replicates were included to provide uncertainty in measurements. Statistics of differential pressure and bed height from these tests were reported. Future plans include validating PIC methodology in the open-source software, MFiX (Multiphase Flow with Interphase Exchanges) using results from this study. This could further be extended to determine optimal model parameters using inverse techniques such as deterministic calibration or Bayesian inference.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Geometric Scale-up Experiments on Fluidization of Geldart B Glass Beads

42 ENGINEERING↗

DOE OSTI2025

Universal scaling of electron transmission for nearly ballistic and quantum dragon nanodevices

Here, we predict two different universal scaling regimes for the quantum transmission of metallic nanodevices following the addition of a small amount of uncorrelated disorder. A nanodevice is connected to two thin semi-infinite uniform leads, and the Non-Equilibrium Green’s Function (NEGF) methodology yields the electron transmission $\mathscr{T}(E)$ as a function of the injected electron energy $E$. Ballistic nanodevices have no disorder and have $\mathscr{T}(E)=1$for all $E$ that allow electron propagation in the leads. Quantum dragon nanodevices can have extremely strong properly correlated disorder, and still have $\mathscr{T}(E)=1$for all $E$. Additional uncorrelated site disorder leads to Fano resonances in $\mathscr{T}(E)$. Averaging over the uncorrelated disorder we predict using perturbation theory two universal scaling regimes for $\mathscr{T}_{ave}(E)$. The functional form of both universal scaling regimes depend on the device length and width, energy, and variance of the uncorrelated disorder. The second scaling regime, valid for small but somewhat larger uncorrelated disorder than the first scaling regime, also has the form dependent on the density of states of the system. These two scaling regimes are demonstrated to be valid via large scale computer calculations.

Ballistic transport↗

NASA NTRS1974

Planetary accretions in jet streams

The problem of planetary accretion in a jet stream is studied using the model developed by Alfven and Arrhenius. We find that there are basically three types of planetary accretion, corresponding to cases where the characteristic time of the occurrence of catastrophic accretion is less than, equal to, or greater than the time-scale of mass injection to the planetary system (300 m.y.). These different time scales of accretion are found to be closely related to the primordial thermal profiles and equatorial inclinations of the planets. Finally, Venus' retrograde rotational spin is shown to be a possible result of accretion process in a jet stream.

Ip, W.-H.↗

DOE OSTI2024

Intermittent Criticality Multi‐Scale Processes Leading to Large Slip Events on Rough Laboratory Faults

Abstract We discuss data of three laboratory stick‐slip experiments on Westerly Granite samples performed at elevated confining pressure and constant displacement rate on rough fracture surfaces. The experiments produced complex slip patterns including fast and slow ruptures with large and small fault slips, as well as failure events on the fault surface producing acoustic emission bursts without externally‐detectable stress drop. Preparatory processes leading to large slips were tracked with an ensemble of ten seismo‐mechanical and statistical parameters characterizing local and global damage and stress evolution, localization and clustering processes, as well as event interactions. We decompose complex spatio‐temporal trends in the lab‐quake characteristics and identify persistent effects of evolving fault roughness and damage at different length scales, and local stress evolution approaching large events. The observed trends highlight labquake localization processes on different spatial and temporal scales. The preparatory process of large slip events includes smaller events marked by confined bursts of acoustic emission activity that collectively prepare the fault surface for a system‐wide failure by conditioning the large‐scale stress field. Our results are consistent overall with an evolving process of intermittent criticality leading to large failure events, and may contribute to improved forecasting of large natural earthquakes.

Geochemistry & Geophysics↗

NASA NTRS2006

Development of a Liner Design Methodology and Relevant Results of Acoustic Suppression in the Farfield for Mixer-Ejector Nozzles

We have developed a process to predict noise field interior to the ejector and in the farfield for any liner design for a mixer-ejector of arbitrary scale factor. However, a number of assumptions, not verified for the current application, utilized in this process, introduce uncertainties in the final result, especially, on a quantitative basis. The normal impedance model for bulk with perforated facesheet is based on homogeneous foam materials of low resistivity. The impact of flow conditions for HSCT application as well as the impact of perforated facesheet on predicted impedance is not properly accounted. Based on the measured normal impedance for deeper bulk samples (i.e., 2.0 in.) the predicted reactance is much higher compared to the data at frequencies above 2 kHz for T-foam and 200 ppi SiC. The resistance is under predicted at lower frequencies (below 4 kHz) for these samples. Thus, the use of such predicted data in acoustic suppression is likely to introduce inaccuracies. It should be noted that the impedance prediction methods developed recently under liner technology program are not utilized in the studies described in this report due to the program closeout. Acoustic suppression prediction is based on the uniform flow and temperature conditions in a two-sided treated constant area rectangular duct. In addition, assumptions of equal energy per mode noise field and interaction of all frequencies with the treated surface for the entire ejector length may not be accurate. While, the use of acoustic transfer factor minimizes the inaccuracies associated with the prediction for a known test case, the assumption of the same factor for other liner designs and with different linear scale factor ejectors seems to be very optimistic. As illustrated in appendix D that the predicted noise suppression for LSM-1 is lower compared to the measured data is an indication of the above argument. However, the process seems to be more reliable when used for the same scale models for different liner designs as demonstrated for Gen. 1 mixer-ejectors.

Salikuddin, M.↗

DOE OSTI2023

Multiscale Ecosystem for solving Maxwell-Schrodinger equations of open quantum systems (OpenMS)

Light-matter interactions play an important role in many branches of physics, chemistry, energy, and materials science. In the strong coupling regime, light-matter interactions are able to tune the materials properties via the formation of new quasiparticles, such as plasmons and polaritons. However, theoretical and numerical modeling of the light-matter interaction-mediated processes remain a big challenge because light-matter interactions are fundamentally multiscale and multiphysics problems involving multiple interactions between electrons, nuclei, and photons at different time/length scales. In the current community, light-matter interactions were treated at different levels of theoretical complexity in quantum chemistry and quantum optics. In quantum optics or quantum photonics, the matter is usually simplified as a few-level system, and the light is treated quantum-mechanically. On the other hand, quantum chemistry explores first-principles methods, including both single-particle and many-body-based techniques, to describe the electronic properties of matter in detail. However, light is usually prescribed as a classical electromagnetic field, and the light-matter interaction is taken into account as an external potential via classical approximations. This software is designed to fill current modeling shortcomings by delivering a first-ever scalable multiscale platform for simulating light-matter interactions in realistic electromagnetic environments. The software solves Maxwell and Schrodinger equations self-consistent on the heterogeneous platforms. It implements HF/DFT, TDDFT, and coupled-cluster counterparts for light-matter interactions and adopts modular programming to offload massively parallel algorithms on a large number of CPU/GPUs.

Zhang, Yu↗

NASA NTRS1979

Prediction limits for foF2

Some of the factors limiting the prediction of foF2 are investigated using median and hourly foF2 values recorded at stations in the Australian ionosonde network. Different time and spatial scales together with different levels of solar and geomagnetic activity are considered. All data used in the analysis are displayed in a series of scatter diagrams which provide an overall view of the accuracy limits for foF2 predictions.

Wilkinson, P. J.↗

NASA NTRS1990

Estimation of multidimensional precipitation parameters by areal estimates of oceanic rainfall

The parameters of the multidimensional precipitation model proposed by Waymire et al. (1984) are estimated using the areal-averaged radar measurements of precipitation of the Global Atlantic Tropical Experiment (GATE) data set. The procedure followed was the fitting of the first- and second-order moments at different aggregation scales by nonlinear regression techniques. The numerical estimates of the parameters using different subsets of GATE information were reasonably stable, i.e., they were not affected by changes of the area-averaging size, temporal length of the records, and percentage of areal coverage of rainfall. This suggests that the estimation procedure is relatively robust and suitable to estimate the parameters of the multidimensional model in areas of sparse density of rain gages. The use of the space-time spectrum of rainfall to help in the determination of sampling errors due to intermittent visits of future space-borne low-altitude sensors of precipitation is also discussed.

Valdes, J. B.↗

NASA NTRS2010

Complex Spatial Structure in a Population of Didymopanax pittieri, A Tree of Wind-Exposed Lower Montane Rain Forest

Didymopanax pittieri is a common shade-intolerant tree colonizing treefall gaps in the elfin forests on windswept ridgecrests in the lower montane rain forests of the Cordillera de Tilarain, Costa Rica. All D. pittieri taller than > 0.5 m in a 5.2-ha elfin forested portion of a gridded study watershed in the Monteverde Cloud Forest Preserve were located, mapped, and measured. This local population of D. pittieri is spatially inhomogeneous, in that density increases with increasing wind exposure; D. pittieri are more abundant near ridge crests than lower on windward slopes. The important and ubiquitous phenomenon of spatial inhomogeneity in population density is addressed and corrected for in spatial analyses by the application of the inhomogeneous version of Ripley's K. The spatial patterns of four size classes of D. pittieri (<5 cm dbh, 5-10 cm dbh, 10-20 cm dbh, and> 20 cm dbh) were investigated. Within the large-scale trend in density driven by wind exposure, D. pittieri saplings are clumped at the scale of treefall gaps and at the scale of patches of aggregated gaps. D. pittieri 5-10 cm dbh are randomly distributed, apparently due to competitive thinning of sapling clumps during the early stages of gap-phase regeneration. D. pittieri larger than 10 cm dbh are overdispersed at a scale larger than that of patches of gaps. Natural disturbance can influence the distribution of shade intolerant tree populations at several different spatial scales, and can have discordant effects at different life history stages.

Lawton, Robert M.↗

DOE OSTI2022

How to correct relative voxel scale factors for calculations of vector-difference Fourier maps in cryo-EM

The atomic coordinates derived from cryo-electron microscopy (cryo-EM) maps can be inaccurate when the voxel scaling factors are not properly calibrated. Here, we describe a method for correcting relative voxel scaling factors between pairs of cryo-EM maps for the same or similar structures that are expanded or contracted relative to each other. We find that the correction of scaling factors reduces the amplitude differences of Fourier-inverted structure factors from voxel-rescaled maps by up to 20–30%, as shown by two cryo-EM maps of the SARS-CoV-2 spike protein measured at pH 4.0 and pH 8.0. This allows for the calculation of the difference map after properly scaling, revealing differences between the two structures for individual amino acid residues. Unexpectedly, the analysis uncovers two previously overlooked differences of amino acid residues in structures and their local structural changes. Furthermore, we demonstrate the method as applied to two cryo-EM maps of monomeric apo-photosystem II from the cyanobacteria Synechocystis sp. PCC 6803 and Thermosynechococcus elongatus. The resulting difference maps reveal many changes in the peripheral transmembrane PsbX subunit between the two species.

59 BASIC BIOLOGICAL SCIENCES↗