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DOE OSTI2026

Effects of density turbulence on helicon wave propagation in the core plasmas

Radio frequency wave propagation can be significantly affected by density irregularities, such as filaments in the scrape-off layer or instabilities in the core plasma. In this study, we examine the impact of edge turbulence on helicon wave propagation using the Petra-M simulation tool. To analyze the effect of edge turbulence, we utilize a realistic background plasma derived from XGC simulations, which includes spatial density fluctuations at the edge. This focus is particularly relevant for the DIII-D configuration, characterized by edge density turbulence of the core plasmas in a wide pedestal QH-mode. We focus on helicon wave propagation in the core plasma since the slow mode cannot propagate into the core plasma when the density is higher than the lower hybrid resonance, where a wide pedestal QH-mode occurs. The simulation results indicate that edge density fluctuations have a substantial impact on helicon wave coupling due to scattering in the core. We specifically demonstrate that the toroidal mode number and the level of density fluctuations are significant factors influencing scattering. While we have minimized the excitation of slow modes from the antenna, we still observe mode-converted slow modes resulting from the incoming helicon waves. The insights derived from these simulations will inform upcoming tokamak experiments regarding helicon antenna coupling in long pulse scenarios.

Kim, Eun-Hwa [Princeton Plasma Physics Laboratory ↗

NASA NTRS2017

Direct Estimation of the Global Distribution of Vertical Velocity Within Cirrus Clouds

Cirrus clouds determine the radiative balance of the upper troposphere and the transport of water vapor across the tropopause.The representation of vertical wind velocity, W, in atmospheric models constitutes the largest source of uncertainty in the calculation of the cirrus formation rate. Using global atmospheric simulations with a spatial resolution of 7 kilometers we obtain for the first time a direct estimate of the distribution of W at the scale relevant for cirrus formation, validated against long-term observations at two different ground sites. The standard deviation in W, sigma (sub W), varies widely over the globe with the highest values resulting from orographic uplift and convection, and the lowest occurring in the Arctic. Globally about 90 of the simulated sigma (sub W) values are below 0.1 meters per second and about one in 10 (sup 4) cloud formation events occur in environments with sigma (sub W) greater than 0.8 meters per second. Combining our estimate with reanalysis products and an advanced cloud formation scheme results in lower homogeneous ice nucleation frequency than previously reported, and a decreasing average ice crystal concentration with decreasing temperature. These features are in agreement with observations and suggest that the correct parameterization of sigma (sub W) is critical to simulate realistic cirrus properties.

Radiative Balance↗

DOE OSTI2026

Long-Duration High-Resolution Large-Eddy Simulations of Hurricane Laura (2020) for Infrastructure Design

This dataset provides long-duration large-eddy simulations (LES) of Hurricane Laura (2020), capturing the turbulent boundary-layer wind field during the storm's passage at horizontal grid spacings of 55.55 m and 10 m. Hurricane Laura made landfall as a Category 4 storm in southwestern Louisiana at 06:00 UTC on 27 August 2020, producing widespread damage to coastal infrastructure. The simulations characterize the spatial and temporal variability of the turbulent wind at heights spanning the lowest 300 m of the boundary layer, throughout the approach and passage of the storm's eyewall over a fixed location. To resolve the spatial heterogeneity of wind and turbulence conditions across the storm, seven independent refined LES runs are performed at radial locations spanning the storm relative to its direction of motion. The refinement positions are defined on a normalized radial coordinate r ̂=r/R, where R≈21 km is Laura's radius of maximum wind, and lie between r ̂=-1.5 and r ̂=+1.5 in ∆r ̂=0.5 increments along a line perpendicular to the storm's track at the midpoint of the simulation. Negative r ̂ corresponds to locations south-southwest of the storm center and positive r ̂ to locations north-northeast. The dataset is segmented into seven radial refinement groups.

17 WIND ENERGY↗

NASA NTRS2016

Spatial and Temporal Uncertainty of Crop Yield Aggregations

The aggregation of simulated gridded crop yields to national or regional scale requires information on temporal and spatial patterns of crop-specific harvested areas. This analysis estimates the uncertainty of simulated gridded yield time series related to the aggregation with four different harvested area data sets. We compare aggregated yield time series from the Global Gridded Crop Model Inter-comparison project for four crop types from 14 models at global, national, and regional scale to determine aggregation-driven differences in mean yields and temporal patterns as measures of uncertainty. The quantity and spatial patterns of harvested areas differ for individual crops among the four datasets applied for the aggregation. Also simulated spatial yield patterns differ among the 14 models. These differences in harvested areas and simulated yield patterns lead to differences in aggregated productivity estimates, both in mean yield and in the temporal dynamics. Among the four investigated crops, wheat yield (17% relative difference) is most affected by the uncertainty introduced by the aggregation at the global scale. The correlation of temporal patterns of global aggregated yield time series can be as low as for soybean (r = 0.28).For the majority of countries, mean relative differences of nationally aggregated yields account for10% or less. The spatial and temporal difference can be substantial higher for individual countries. Of the top-10 crop producers, aggregated national multi-annual mean relative difference of yields can be up to 67% (maize, South Africa), 43% (wheat, Pakistan), 51% (rice, Japan), and 427% (soybean, Bolivia).Correlations of differently aggregated yield time series can be as low as r = 0.56 (maize, India), r = 0.05∗Corresponding (wheat, Russia), r = 0.13 (rice, Vietnam), and r = −0.01 (soybean, Uruguay). The aggregation to sub-national scale in comparison to country scale shows that spatial uncertainties can cancel out in countries with large harvested areas per crop type. We conclude that the aggregation uncertainty can be substantial for crop productivity and production estimations in the context of food security, impact assessment, and model evaluation exercises.

Aggregation uncertainty↗

NASA NTRS1986

Vortex simulation of forced mixing layers

Two-dimensional, spatially growing, turbulent mixing layers are simulated numerically by a vortex method and the results are compared with those determined experimentally. The effects of artificial forcing on flow development are also studied. Many of the flow features which have been observed experimentally are reproduced, and good quantitative agreements between experiments and computations are obtained.

Inoue, O.↗

NASA NTRS1987

Vortex simulation of forced/unforced mixing layers

Inoue, Osamu↗

NASA NTRS1994

Statistical analysis of mesoscale rainfall: Dependence of a random cascade generator on large-scale forcing

Under the theory of independent and identically distributed random cascades, the probability distribution of the cascade generator determines the spatial and the ensemble properties of spatial rainfall. Three sets of radar-derived rainfall data in space and time are analyzed to estimate the probability distribution of the generator. A detailed comparison between instantaneous scans of spatial rainfall and simulated cascades using the scaling properties of the marginal moments is carried out. This comparison highlights important similarities and differences between the data and the random cascade theory. Differences are quantified and measured for the three datasets. Evidence is presented to show that the scaling properties of the rainfall can be captured to the first order by a random cascade with a single parameter. The dependence of this parameter on forcing by the large-scale meteorological conditions, as measured by the large-scale spatial average rain rate, is investigated for these three datasets. The data show that this dependence can be captured by a one-to-one function. Since the large-scale average rain rate can be diagnosed from the large-scale dynamics, this relationship demonstrates an important linkage between the large-scale atmospheric dynamics and the statistical cascade theory of mesoscale rainfall. Potential application of this research to parameterization of runoff from the land surface and regional flood frequency analysis is briefly discussed, and open problems for further research are presented.

Over, Thomas, M.↗

NASA NTRS1993

Real-time dynamics simulation of the Cassini spacecraft using DARTS. Part 1: Functional capabilities and the spatial algebra algorithm

This paper describes the Dynamics Algorithms for Real-Time Simulation (DARTS) real-time hardware-in-the-loop dynamics simulator for the National Aeronautics and Space Administration's Cassini spacecraft. The spacecraft model consists of a central flexible body with a number of articulated rigid-body appendages. The demanding performance requirements from the spacecraft control system require the use of a high fidelity simulator for control system design and testing. The DARTS algorithm provides a new algorithmic and hardware approach to the solution of this hardware-in-the-loop simulation problem. It is based upon the efficient spatial algebra dynamics for flexible multibody systems. A parallel and vectorized version of this algorithm is implemented on a low-cost, multiprocessor computer to meet the simulation timing requirements.

Jain, A.↗

NASA NTRS2008

Application of the CloudSat and NEXRAD Radars Toward Improvements in High Resolution Operational Forecasts

As computational power increases, operational forecast models are performing simulations with higher spatial resolution allowing for the transition from sub-grid scale cloud parameterizations to an explicit forecast of cloud characteristics and precipitation through the use of single- or multi-moment bulk water microphysics schemes. investments in space-borne and terrestrial remote sensing have developed the NASA CloudSat Cloud Profiling Radar and the NOAA National Weather Service NEXRAD system, each providing observations related to the bulk properties of clouds and precipitation through measurements of reflectivity. CloudSat and NEXRAD system radars observed light to moderate snowfall in association with a cold-season, midlatitude cyclone traversing the Central United States in February 2007. These systems are responsible for widespread cloud cover and various types of precipitation, are of economic consequence, and pose a challenge to operational forecasters. This event is simulated with the Weather Research and Forecast (WRF) Model, utilizing the NASA Goddard Cumulus Ensemble microphysics scheme. Comparisons are made between WRF-simulated and observed reflectivity available from the CloudSat and NEXRAD systems. The application of CloudSat reflectivity is made possible through the QuickBeam radiative transfer model, with cautious application applied in light of single scattering characteristics and spherical target assumptions. Significant differences are noted within modeled and observed cloud profiles, based upon simulated reflectivity, and modifications to the single-moment scheme are tested through a supplemental WRF forecast that incorporates a temperature dependent snow crystal size distribution.

Molthan, A. L.↗

DOE OSTI2025

Integrating Ultra-Coarse-Grained Protein Models into Accessible Workflows for Multiscale Molecular Dynamics

To capture protein conformational transitions using molecular dynamics (MD), several simulation resolutions covering different spatial and temporal scales are typically needed. All-atom (AA) simulations provide fine resolution, but are computationally infeasible for large systems over longer durations. Coarse-grained (CG) and ultra-coarse-grained (UCG) models have a lower resolution and computational cost while still being able to conserve essential protein features. Prior work on a Multiscale Machinelearned Modeling Infrastructure (MuMMI) combined both AA and CG simulations to study RAS-RAF protein interactions, leveraging CG models for longer time scales and using AA to investigate unusual conformations in greater detail. However, MuMMI is still resource-intensive, and this study aims to maximize exploration of the protein conformational space while reducing computational cost. In this paper, we build on prior work that integrates UCG models based on heterogeneous elastic network modeling (hENM) into the MuMMI workflow. We demonstrate that UCG models enable accurate sampling of protein conformations, focusing on simulating RAS-RAF protein interactions. Using higher-resolution CG Martini simulation data, we can automatically refine intramolecular interactions in UCG models. We present a scalable Python package that uses fluctuations observed in higher-resolution CG Martini simulations to estimate bond coefficients of the UCG model. We built novel machine learning-based backmapping methods to recover more detailed CG Martini structures from UCG structures, using diffusion models to learn the mapping between scales. Finally, we present UCG-mini-MuMMI, an accessible and less compute-intensive version of MuMMI as a resource for the scientific community. Incorporating UCG models into MD studies is applicable to a broad range of systems and proteins, and our study offers insights into the advantages and limitations of these methods.

Chemical structure↗

NASA NTRS2016

Spatial Sampling of Weather Data for Regional Crop Yield Simulations

Field-scale crop models are increasingly applied at spatio-temporal scales that range from regions to the globe and from decades up to 100 years. Sufficiently detailed data to capture the prevailing spatio-temporal heterogeneity in weather, soil, and management conditions as needed by crop models are rarely available. Effective sampling may overcome the problem of missing data but has rarely been investigated. In this study the effect of sampling weather data has been evaluated for simulating yields of winter wheat in a region in Germany over a 30-year period (1982-2011) using 12 process-based crop models. A stratified sampling was applied to compare the effect of different sizes of spatially sampled weather data (10, 30, 50, 100, 500, 1000 and full coverage of 34,078 sampling points) on simulated wheat yields. Stratified sampling was further compared with random sampling. Possible interactions between sample size and crop model were evaluated. The results showed differences in simulated yields among crop models but all models reproduced well the pattern of the stratification. Importantly, the regional mean of simulated yields based on full coverage could already be reproduced by a small sample of 10 points. This was also true for reproducing the temporal variability in simulated yields but more sampling points (about 100) were required to accurately reproduce spatial yield variability. The number of sampling points can be smaller when a stratified sampling is applied as compared to a random sampling. However, differences between crop models were observed including some interaction between the effect of sampling on simulated yields and the model used. We concluded that stratified sampling can considerably reduce the number of required simulations. But, differences between crop models must be considered as the choice for a specific model can have larger effects on simulated yields than the sampling strategy. Assessing the impact of sampling soil and crop management data for regional simulations of crop yields is still needed.

upscaling↗

NASA NTRS2016

The Impact of ARM on Climate Modeling

Climate models are among humanity's most ambitious and elaborate creations. They are designed to simulate the interactions of the atmosphere, ocean, land surface, and cryosphere on time scales far beyond the limits of deterministic predictability, and including the effects of time-dependent external forcings. The processes involved include radiative transfer, fluid dynamics, microphysics, and some aspects of geochemistry, biology, and ecology. The models explicitly simulate processes on spatial scales ranging from the circumference of the Earth down to one hundred kilometers or smaller, and implicitly include the effects of processes on even smaller scales down to a micron or so. The atmospheric component of a climate model can be called an atmospheric global circulation model (AGCM). In an AGCM, calculations are done on a three-dimensional grid, which in some of today's climate models consists of several million grid cells. For each grid cell, about a dozen variables are time-stepped as the model integrates forward from its initial conditions. These so-called prognostic variables have special importance because they are the only things that a model remembers from one time step to the next; everything else is recreated on each time step by starting from the prognostic variables and the boundary conditions. The prognostic variables typically include information about the mass of dry air, the temperature, the wind components, water vapor, various condensed-water species, and at least a few chemical species such as ozone. A good way to understand how climate models work is to consider the lengthy and complex process used to develop one. Lets imagine that a new AGCM is to be created, starting from a blank piece of paper. The model may be intended for a particular class of applications, e.g., high-resolution simulations on time scales of a few decades. Before a single line of code is written, the conceptual foundation of the model must be designed through a creative envisioning that starts from the intended application and is based on current understanding of how the atmosphere works and the inventory of mathematical methods available.

atmospheric circulation↗

DOE OSTI2024

BISON Simulated and Experimental Fission Product Release Comparisons from Reradiated AGR-3/4 Compacts During High Temperature Heating Tests

The fuel performance modeling code BISON was used to predict the release of fission products iodine-131 (131I), xenon-133 (133Xe), and krypton-85 (85Kr) from four re-irradiated AGR-3/4 fuel compacts containing tristructural isotropic (TRISO) coated particles during high-temperature isothermal heating tests. The AGR-3/4 fuel compacts were irradiated in the Advanced Test Reactor (ATR) as part of the third and fourth series of planned experiments to support the Advanced Gas Reactor (AGR) Program. They were subsequently stored and re-irradiated in the Neutron Radiography (NRAD) reactor for approximately five days and then stored for another five to eight days before being subjected to isothermal heating tests in the Fuel Accident Condition Simulation (FACS furnace) for 200 to 300 hours at temperatures between 1000°C and 1600°C to evaluate fission product release at elevated temperatures. New nuclide-specific fission product source term models for the three nuclides of interest were developed using the reactor multiphysics code Griffin and implemented into BISON to support this work. The new source term models were incorporated into coupled compact- and particle-scale BISON simulations, which predict spatially- and temporally-resolved radionuclide generation, radioactive decay, transport, and release throughout the entire irradiation history, including the initial ATR irradiation, NRAD re-irradiations, FACS heating tests, and intermediate periods spent in storage. The experimentally measured fission product release from the heating tests were compared to modeling release predictions calculated by BISON to evaluate how well the code compares to experimental results. Overall, the experimental measured and BISON predicted comparative release results varied but generally agreed to within 5 particle equivalents. Comparative release results identified general observations to take into consideration to help refine future models and reduce uncertainties associated with both the measurement results and predictive results. This includes developing new uranium oxycarbide (UCO) specific kernel diffusivities for the three isotopes examined to more accurately reflect the material properties of the fuel form. Deriving new diffusivities will aid in producing a more informed BISON model

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Epitaxial Metal Electrodeposition Controlled by Graphene Layer Thickness

Control over material structure and morphology during electrodeposition is necessary for material synthesis and energy applications. One approach to guide crystallite formation is to take advantage of epitaxy on a current collector to facilitate crystallographic control. Single-layer graphene on metal foils can promote “remote epitaxy” during Cu and Zn electrodeposition, resulting in growth of metal that is crystallographically aligned to the substrate beneath graphene. However, the substrate–graphene–deposit interactions that allow for epitaxial electrodeposition are not well understood. Here, we investigate how different graphene layer thicknesses (monolayer, bilayer, trilayer, and graphite) influence the electrodeposition of Zn and Cu. Scanning transmission electron microscopy and electron backscatter diffraction are leveraged to understand metal morphology and structure, demonstrating that remote epitaxy occurs on mono- and bilayer graphene but not trilayer or thicker. Density functional theory (DFT) simulations reveal the spatial electronic interactions through thin graphene that promote remote epitaxy. This work advances our understanding of electrochemical remote epitaxy and provides strategies for improving control over electrodeposition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Spatially resolved measurements of plasma ion velocity distributions in a dipole magnetic field

The equilibrium flows of a plasma discharge in a dipole magnetic field are a topic of interest in low temperature plasma physics. Experimentalists typically rely on probe-based and line-integrated diagnostic techniques in these environments to describe plasma behavior. Presented here are measurements of argon ion dynamics with laser induced fluorescence techniques to provide insight into plasma dynamics in dipole magnetic fields with nonperturbative, spatially localized measurements. Simulation results from a Lagrangian approach to track particle orbits are compared to measured density profiles and provide evidence to support the mechanism distinguishing experimental configurations is the initial approach of particles. Applying a negative DC bias to the magnet induces strong E×B flows around the magnet, even exceeding the ion acoustic speed as measured far from the magnet. A strong enough bias also produces two distinct ion populations and provides a method for controlling the density gradient on the equator.

McLaughlin, Jacob W. (ORCID:0000000152661888)↗

DOE OSTI2025

Longitudinal position dependence of dark line defect growth rate in high-power diode lasers at 790 nm

Using a nondestructive, in situ near-infrared defect imaging technique, we obtained time-resolved images of dark line defect (DLD) growth in the cavities of several high-power 790-nm diode lasers and calculated individual DLD growth rates. A clear longitudinal spatial dependence in the DLD growth rate was observed, in which the DLD growth rate was faster near the anti-reflective (AR) facet. Longitudinal spatial hole burning simulation results indicate that the total photon density increases toward the AR facet, while the carrier density decreases toward the AR facet. Here, these results suggest that photon absorption plays a key role in enhancing DLD growth beyond the contribution of the traditional carrier capture mechanism. Asymmetric DLD growth that was preferentially directed toward the high-reflectivity facet was also observed, providing further support for the role of photon absorption in the growth process. To account for these findings, we propose a photon-accelerated mechanism for the enhancement of DLD growth in which the slower carrier capture process in the traditional recombination-enhanced dislocation glide mechanism is replaced by a faster photon absorption process.

Engineering - Electronic and electrical engineerin↗

DOE OSTI2026

A Concept of a Convection–Cloud Chamber to Study Aerosol–Cloud–Drizzle Interactions

Understanding and quantifying the full chain of processes from aerosol activation to drizzle formation, and the associated feedbacks to the aerosol chemical and physical properties, all within a turbulent cloud are some of the toughest challenges in atmospheric chemistry and physics and are keys to the cloud–precipitation puzzle. This paper describes a concept for a new type of research facility consisting of a cloud chamber plus associated instrumentation and computational models, to explore aerosol–cloud interactions and processing, cloud optical properties, entrainment–cloud interactions, and quantitative assessment of drizzle onset. The envisioned design is for a 3 m × 3 m × 9 m chamber, such that the height is sufficient to achieve long lifetimes for aerosol processing and for significant drizzle growth by collision and coalescence. A suite of computational tools for simulating microphysical properties in the chamber provides a digital twin for designing the chamber and a range of example experiments. Theory and test results from novel remote sensing systems for exploring chemical and physical interactions and evolution of aerosols, cloud droplets, and drizzle within turbulent clouds are described. Testing of technology needed for the operation of a large-volume chamber, including aerosol generation methods and novel materials for water vapor boundary conditions, is described. Simulations suggest that spatially uniform turbulence and microphysical properties can be sustained in a steady state, with reasonable aerosol and water vapor fluxes, and that substantial drizzle can be produced through collision and coalescence of cloud droplets. Remaining challenges for more detailed engineering design and a discussion of possible first-light experiments are described.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Myco-CORPSE simulations assessing mycorrhizal carbon allocation across U.S. forests and global change scenarios

Plants allocate a substantial portion of their fixed carbon belowground to mycorrhizal fungi in exchange for nutrients and other benefits. However, most current ecosystem models omit mycorrhizal processes, limiting our ability to predict plant–soil carbon dynamics under environmental change. To address this gap, we used a mycorrhiza-explicit soil biogeochemical model, Myco-CORPSE (Mycorrhizal Carbon, Organisms, Rhizosphere, and Protection in the Soil Environment), to simulate tree carbon allocation to arbuscular mycorrhizal (AM) and ectomycorrhizal (ECM) fungi in temperate forests.The dataset includes outputs from two sets of model simulations:1. Perturbation experiments: Simulations across gradients of ECM dominance (0–100%), nitrogen deposition, soil temperature, and net primary productivity (NPP) to test how these factors affect mycorrhizal C allocation and nutrient cycling.2. FIA-based simulations: Model applications to over 1,800 U.S. forest sites using site-specific data from the U.S. Forest Inventory and Analysis (FIA) program, including vegetation composition, mycorrhizal type, climate, litter traits, soil properties, and N deposition.Model outputs include simulated mycorrhizal carbon allocation and related biogeochemical variables, such as soil and microbial carbon and nitrogen stocks. Data are provided in CSV format and organized by experiment type (in separate ZIP files). Python scripts for running simulations, plotting, and spatial mapping are also included and organized similarly. No proprietary software is required. These outputs support a peer-reviewed study and were used to generate figures and tables in the associated publication.

54 ENVIRONMENTAL SCIENCES↗