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At least 271 records · Page 15

Hydrologic Model Data for the East Fork Poplar Creek Watershed Simulated with the Advanced Terrestrial Simulator (ATS): Streamflow and Network Expansion–Contraction Dynamics

This dataset supports hydrologic modeling and stream network expansion–contraction analysis for the East Fork Poplar Creek (EFPC) Watershed in Tennessee. It includes a Jupyter notebook for model setup, model configuration files, simulation outputs, and derived products used to evaluate model performance and investigate stream dynamics under varying hydrologic conditions. The dataset was generated using the Watershed Workflow Python package and the Advanced Terrestrial Simulator (ATS), enabling integrated surface–subsurface hydrologic simulations using a stream-aligned mesh. Outputs include high-resolution time series of streamflow, active network length, water table depth, and related hydrologic variables. Also included are spatially explicit stream persistency indices and classifications of reaches as perennial or non-perennial. These data facilitate reproducibility and support further research on stream intermittency and variability in network extent.The model data archive is organized in following directories:1) model_setup_inputsContains the Watershed Workflow Jupyter notebooks (accessed through any open source code editor), selected input datasets, and resulting ATS input files, including XML files (access through any open source code editor), computational mesh (.exo files can be viewed using Paraview), and meteorological forcing files (.h5 files can be accessed through h5py python package and HDFView open source software). 2) model_outputsIncludes ATS simulation outputs relevant to this study. Time series of spatially integrated or averaged variables (e.g., streamflow, water table depth) are provided as CSV files. Select spatial fields (e.g., ponded depth and water table depth) are saved as pickled Python objects to reduce file size, and can be accessed through pickle package in Python. Key geometry objects from Watershed Workflow—such as the surface mesh and river tree—are also included to support analysis of streamflow persistency and expansion–contraction dynamics. These files can also be accessed through Watershed Workflow Python package.3) model_evaluationProvides observed streamflow time series and field survey-based flow regime classifications used to evaluate model performance. Jupyter notebooks for processing ATS outputs and comparing model predictions with observations to build confidence in the model prior to scientific analysis are also included.4) Q_L_relationshipsContains workflows for generating time series of discharge, active network length, and related hydrologic variables used in the stream network expansion–contraction analysis. Includes routines for delineating baseflow-dominated periods. For each catchment, notebooks and processed data (as pickled DataFrames accessed through Pandas Python package) are provided. 5) figure_scriptsProvides the Jupyter notebooks used to generate the figures presented in the paper.

54 ENVIRONMENTAL SCIENCES↗

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

High fidelity actuator line data from 9 turbine wind farm simulations using ExaWind

This data was generated with the ExaWind code suite (https://github.com/Exawind) to investigate the performance of different Active Wake Mixing turbine control in a wind farm situated in a stable atmospheric boundary layer. All cases correspond to a 3x3 wind farm in a 10km x 10km domain using a total mesh size that varied between 1.6 X 10^9 to 1.85 X 10^9 grid cells. The simulations were run across 1800-2000 GPUs on Frontier. The case description and data generation process is fully documented in Yalla, G. R., Brown, K., Cheung, L., Houck, D., deVelder, N., and Balaji, J. (2025). "Estimating annual energy production of wake mixing control strategies including comparisons to wake steering." Wind Energy Sciences (https://doi.org/10.5194/wes-2025-250).

17 WIND ENERGY↗

Development of a self-lubricating high-efficiency hybrid seal composed of carbon nanotube-coated metal meshes for CSP turbomachinery (SETO CPS #36333 Final Report)

In turbomachinery, internal leakage flow accounts for up to 3% of the total thermodynamic cycle energy loss. Tradeoff must be made between the sealing efficiency (smaller clearance) and the friction and wear issues for interfering with the shaft (larger clearance). This ORNL-Danfoss joint effort developed a novel hybrid seal composed of carbon nanotube (CNT)-coated metal meshes. The CNT growth process was based on a self-catalyzing chemical vapor deposition and these multiwall CNTs were well aligned with high crystallinity. This hybrid material structure takes advantage of the CNT’s low-friction nature and uses the metal mesh as an extendable backbone. Full-scale experimental seals were designed, fabricated, and optimized for sealing performance and durability. The CNT-coated metal mesh seal demonstrated superior gas sealing efficiency to the baseline labyrinth seal and significantly improved shaft surface protection compared with the state-of-the-art superalloy brush seal on the static rig and full-scale compressor dynamometer tests. The CNT-metal mesh seal is low-cost and scalable and can potentially benefit wide applications, including CSP and other power generation, marine, automotive, and HVAC.

36 MATERIALS SCIENCE↗

Design of proton deflectometry with in situ x-ray fiducial for magnetized high-energy-density systems

We report a design and implementation of proton deflectometry with an in situ reference x-ray image of a mesh to precisely measure non-uniform magnetic fields in expanding plasmas at the OMEGA and OMEGA EP laser facilities. The technique has been developed with proton and x-ray sources generated from both directly driven capsule implosions and short pulse laser–solid interactions. The accuracy of the measurement depends on the contrast of both the proton and x-ray images. Here we present numerical and analytic studies to optimize the image contrast using a variety of mesh materials and grid spacings. Our results show clear enhancement of the image contrast by factors of four to six using a high Z mesh with large grid spacing. This leads to further improvement in the accuracy of the magnetic field measurement using this technique in comparison with its first demonstration at the OMEGA laser facility [Rev. Sci. Instrum. 93, 023502 (2022) [CrossRef]].

47 OTHER INSTRUMENTATION↗

Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra: Modeling Archive

This dataset is a model archive of the paper Permafrost Thaw, Uneven Subsidence and Projected Drying of Ice-wedge Polygon Tundra (in prep) to support a modeling study investigating how projected increases in Arctic temperature and precipitation will jointly influence hydrologic conditions in ice-rich tundra landscapes. With this dataset, this study is to address the research question: Will Arctic tundra landscapes become wetter or drier with increasing precipitation and temperature in the future when thaw-induced ground subsidence and associated microtopographic evolution are represented? The simulations focus on ice-wedge polygon tundra, a widespread form of ice-rich permafrost terrain that is highly sensitive to thaw-driven landscape change. This dataset contains model input and output data for four study watersheds in Alaska: Anaktuvuk, Utqiagvik (formerly Barrow), Brooks Foothills, and Prudhoe Bay. Simulations were performed using the Advanced Terrestrial Simulator (ATS, v1.5), a physics-rich integrated surface–subsurface hydrologic model. For each watershed, ten modeling cases were performed representing two landscape evolution conditions (with subsidence and without subsidence) combined with five climate forcing scenarios derived from Shared Socioeconomic Pathways (SSP5, SSP5 with precipitation trend, SSP2, SSP2 with precipitation trend, and SSP2 with double precipitation trend). Particularly, for each watershed under the forcing SSP2 with precipitation trend, there are two additional simulations considering spatially heterogeneous subsidence distributions: one assumes randomly distributed scaling and the other includes elevation dependent distribution scaling. These simulations span 1980–2099 and include spin-up runs (1980–2009) followed by transient projections (2010–2099). To facilitate reproducibility of simulations, all datasets are organized by watershed. For each study watershed, the dataset contains: (1) Pre-partitioned mesh files for 32-core modeling (.par.32.XX), located in EACH_WATERSHED/mesh/basin; and also a non-partitioned mesh file (.exo) located in EACH_WATERSHED/mesh; (2) Climate forcings corresponding to the five SSP scenarios (.h5), located in EACH_WATERSHED/data; (3) Final states (.h5) from column spin-up modeling used to initialize historical watershed-scale spin-up runs from 1980 to 2009, located in EACH_WATERSHED/PreSpinupHistorical; (4) Final states (.h5) of historical watershed-scale spin-up runs from 1980 to 2009 used to initialize projection runs, located in EACH_WATERSHED/Spinup_daymetERA5; (5) ATS modeling input files (.xml), located in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/inputfiles; (6) ATS modeling output files (.dat), located in in EACH_WATERSHED/EACH_SIMULATION_SCENARIO/combined_obs; (7) For the Brooks Foothills watershed, additional spatial model outputs are provided (.h5) for selected years (2033 and 2093) used to generate spatial figures in this study, located in Brooksfoothills/EACH_SIMULATION_SCENARIO/results-WITH/WITHOUT_SUBSIDENCE-year2033/2093. All data files with suffix .h5 can be accessible through Python h5py, and all data files with suffix of .dat can be imported by Python pandas. Mesh file with .exo can be visualized through Paraview or read by Python netCDF. The Next-Generation Ecosystem Experiments in the Arctic (NGEE Arctic) project is a research effort to reduce uncertainty in the Department of Energy’s Energy Exascale Earth System Model (E3SM) by developing a predictive understanding of Arctic tundra ecosystems underlain by permafrost and to quantify feedbacks from the Arctic tundra to the Earth system. NGEE Arctic is supported by the Department of Energy's Office of Biological and Environmental Research. Over Phases 1–3, observations made by the NGEE Arctic team across a gradient of permafrost landscapes in Arctic Alaska improved the representation of tundra processes in the land surface component of E3SM (the E3SM Land Model, ELM). Model improvements emphasized unique aspects of permafrost environments and explored reductions in model complexity while retaining predictive power. The Arctic-informed ELM developed by NGEE Arctic has been used to make novel predictions on processes ranging from permafrost thaw to soil biogeochemical cycling to Earth system feedbacks associated with the unique characteristics of tundra plants. In Phase 4, the NGEE Arctic team is evaluating our new predictive understanding under novel conditions across the Arctic domain. In collaboration with partners at long-term pan-Arctic research sites we are examining whether an Arctic-informed ELM can faithfully simulate interactions among surface and subsurface processes at site, regional, and pan-Arctic scales. In turn, we are using variety of tools to dynamically extend and evaluate ELM inference, with an emphasis on data synthesis and pan-Arctic model evaluation, reintegration of code with an evolving E3SM, scaling across heterogeneous Arctic landscapes, and the appropriate representation of the impacts of increasingly frequent Arctic disturbances.

EARTH SCIENCE > ATMOSPHERE > PRECIPITATION↗

Adaptive mesh refinement in binary black holes simulations

Abstract We discuss refinement criteria for the Berger–Rigoutsos (block-based) refinement algorithm in our numerical relativity code GR-Athena++ in the context of binary black hole (BBH) merger simulations. We compare three different strategies: the ‘box-in-box’ approach, the ‘sphere-in-sphere’ approach and a local criterion for refinement based on the estimation of truncation error of the finite difference scheme. We extract and compare gravitational waveforms using the three different mesh refinement methods and compare their accuracy against a calibration waveform and demonstrate that the sphere-in-sphere approach provides the best strategy overall when considering computational cost and the waveform accuracy. Ultimately, we demonstrate the capability of each mesh refinement method in accurately simulating gravitational waves from BBH systems—a crucial aspect for their application in next-generation detectors. We quantify the mismatch achievable with the different strategies by extrapolating the gravitational wave mismatch to higher resolution.

Astronomy & Astrophysics↗

4. Geometry Data Storage

3D-printing begins with the design of an object using computer aided design (CAD) software. The geometry of the object must be exported and saved in a data file format that can be used in the slicing process to generate machine instructions for printing. The standard method of saving the data is to tessellate the object as a triangulated mesh stored as a .stl file. Due to the flat triangular faces used to store the data, this mesh is a low-resolution representation of the high-fidelity object designed in CAD. The STL has its limitations with respect to geometrical accuracy, material information, and instances of invalid mesh data, but can still be used for the 3D-printing process. New file variants, such as OBJ, AMF, and 3MF, are being developed to fix some of these issues and increase the capabilities of geometry data storage for 3D-printing.

Roschli, Alex↗

Atmospheric-river-induced precipitation in California as simulated by the regionally refined Simple Convective Resolving E3SM Atmosphere Model (SCREAM) Version 0

Abstract. Using the regionally refined mesh (RRM) configuration of the US Department of Energy's Simple Cloud-Resolving Energy Exascale Earth System Model (E3SM) Atmosphere Model (SCREAM), we simulate and evaluate four meteorologically distinct atmospheric river events over California. We test five different RRM configurations, each differing in terms of the areal extent of the refined mesh and the resolution (ranging from 800 m to 3.25 km). We find that SCREAM RRM generally has a good representation of the AR-generated precipitation in CA, even for the control simulation which has a very small 3 km refined patch, and is able to capture the fine-scale regional distributions that are controlled largely by the fine-scale topography of the state. It is found that SCREAM generally has a wet bias over topography, most prominently over the Sierra Nevada mountain range, with a corresponding dry bias on the lee side. We find that refining the resolution beyond 3 km (specifically 1.6 km and 800 m) has virtually no benefit towards reducing systematic precipitation biases but that improvements can be found when increasing the areal extent of the upstream refined mesh. However, these improvements are relatively modest and only realized if the size of the refined mesh is expanded to the scale where employing RRM no longer achieves the substantial cost benefit it was intended for.

54 ENVIRONMENTAL SCIENCES↗

SaS4D Home Team UI (SaS4D-HT-UI) v1.0

The SaS4D Home Team UI (python) is a software to view and interact with different layers of 3D geometries and generate usable MCNP-style input file. It is used by the remote Home Team in providing guidance and building models of environments they have never seen in order to investigate threat object discovered at the Working Point. The UI visualizes a colorized mesh, a semantic labelled mesh, and a semantic labelled probability mesh of the scanned environment as well as individual water-tight material-labeled objects. It allows for manipulation and re-processing of these objects. The UI also contains measurement tools to facilitate better MCNP input file generation in the manipulation workflow. The software is a key component in ensuring the Home Team has prompt awareness of the Working Point.

Chen, Xin↗

Zapiary: Creating Visibility in IOT Networks

Zigbee and Z-Wave are the main networking protocols used by low-power Internet of Things (IOT) devices. These protocols use low frequencies. Mesh architecture, and unique address formats that make them not compatible with traditional network traffic tools like IX-Discovery Tools. Zapiary is a software that takes CSV files with Zigbee and Z-Wave traffic and generates Structured Threat Information eXpression (STIX) JSON bundles illustrating the communication within IOT networks. The bundles can then be viewed within Structured Threat Intelligence Graph (STIG) or used with AI/ML models to provide deeper visibility into nodes that make up the network and the ability to trend the mesh network over time.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Design and Testing of the Address in Real-Time Data Driver Card for the Micromegas Detector of the ATLAS New Small Wheel Upgrade

The Address in Real Time Data Driver Card (ADDC) is designed to transmit the trigger data in the Micro-Mesh Gaseous Structure (Micromegas) detector of the ATLAS New Small Wheel (NSW) upgrade. The Address in Real Time (ART) signals are generated by the front-end ASIC, named VMM chip, to indicate the address of the first above-threshold event. A custom ASIC (ART ASIC) is designed to receive the ART signals from the VMM chip and implement the hit-selection. The processed data from the ART ASIC will be transmitted out of the NSW through the GBTx serializer, the unidirectional Versatile Twin Transmitter (VTTx) and fiber optical links. The ART signal is critical for the ATLAS experiment trigger selection thus the performance and stability of the ADDC is very important. To ensure extensive testing of the ADDC, an FPGA Mezzanine Card (FMC) based testing platform and a special designed firmware/software are developed. We find that this test platform works with the commercial Xilinx VC707 FPGA development kit, independent of the other electronics of the NSW it can test all the functions of the ADDC and its long-term stability. This paper will introduce the design, testing procedure and results of the ADDC and the FMC testing platform.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

In-plasma photo-assisted etching of Si with chlorine aided by an external vacuum ultraviolet source

Photo-assisted etching of p-type Si was previously found to occur in a chlorine-containing, Faraday-shielded, inductively coupled plasma (ICP), and this was attributed to the vacuum ultraviolet (VUV) light generated by the plasma. Other causes for the very high etching rates were ruled out, including ion bombardment. In the present study, the substrate in the main Cl2/Ar ICP was subjected to extra VUV light that was generated in an independently controlled, auxiliary Ar/He ICP in tandem with the main ICP. The ICPs were separated by a tungsten mesh and a bundle of high-aspect-ratio quartz tubes in a honeycomb configuration. There was no measurable perturbation of the main plasma by the auxiliary plasma. The etching rate was found to be enhanced by 11%–51% with the additional VUV light provided by the auxiliary ICP. With absolute measurements of the auxiliary ICP photon flux at the sample surface, as described elsewhere, incredibly large etching yields of 90–240 Si atoms per photon were obtained. It is argued that etching is not a result of electron–hole pair formation but is instead ascribed to a photocatalytic chain reaction.

42 ENGINEERING↗

Coupling of Laminar-Turbulent Transition with RANS Computational Fluid Dynamics

This project combines several new concepts to create a boundary layer transition prediction capability that is suitable for analyzing modern hypersonic flight vehicles. The first new concept is the use of ''optimization'' methods to detect the hydrodynamic instabilities that cause boundary layer transition; the use of this method removes the need for many limiting assumptions of other methods and enables quantification of the interactions between boundary layer instabilities and the flow field imperfections that generate them. The second new concept is the execution of transition analysis within a conventional hypersonics CFD code, using the same mesh and numerical schemes for the transition analysis and the laminar flow simulation. This feature enables rapid execution of transition analysis with less user oversight required and no interpolation steps needed.

42 ENGINEERING↗

Learning an Algebriac Multrigrid Interpolation Operator Using a Modified GraphNet Architecture

This work, building on previous efforts, develops a suite of new graph neural network machine learning architectures that generate data-driven prolongators for use in Algebraic Multigrid (AMG). Algebraic Multigrid is a powerful and common technique for solving large, sparse linear systems. Its effectiveness is problem dependent and heavily depends on the choice of the prolongation operator, which interpolates the coarse mesh results onto a finer mesh. Previous work has used recent developments in graph neural networks to learn a prolongation operator from a given coefficient matrix. In this paper, we expand on previous work by exploring architectural enhancements of graph neural networks. A new method for generating a training set is developed which more closely aligns to the test set. Asymptotic error reduction factors are compared on a test suite of 3-dimensional Poisson problems with varying degrees of element stretching. Results show modest improvements in asymptotic error factor over both commonly chosen baselines and learning methods from previous work.

97 MATHEMATICS AND COMPUTING↗

pnnl/pyraabe

Automated Raabe table generationPyRaabe is a Python package to automate Raabe table -- a graph representation of airway geometry -- generation from a triangulated surface of an airway geometry. With a single command, it extracts a centerline from an input 3D surface mesh and subsequently computes the relevant attributes for the Raabe table, including length, diameter, bifurcation angle, and gravity angle. These can be used to inform downstream models, such as the Multiple-Path Particle Dosimetry (MPPD) model.

Colby, Sean M.↗

Measurements and Model Improvement: Insight into NWP Model Error Using Doppler Lidar and Other WFIP2 Measurement Systems

Abstract Doppler-lidar wind-profile measurements at three sites were used to evaluate NWP model errors from two versions of NOAA’s 3-km-grid HRRR model, to see whether updates in the latest version 4 reduced errors when compared against the original version 1. Nested (750-m grid) versions of each were also tested to see how grid spacing affected forecast skill. The measurements were part of the field phase of the Second Wind Forecasting Improvement Project (WFIP2), an 18-month deployment into central Oregon–Washington, a major wind-energy-producing region. This study focuses on errors in simulating marine intrusions, a summertime, 600–800-m-deep, regional sea-breeze flow found to generate large errors. HRRR errors proved to be complex and site dependent. The most prominent error resulted from a premature drop in modeled marine-intrusion wind speeds after local midnight, when lidar-measured winds of greater than 8 m s −1 persisted through the next morning. These large negative errors were offset at low levels by positive errors due to excessive mixing, complicating the interpretation of model “improvement,” such that the updates to the full-scale versions produced mixed results, sometimes enhancing but sometimes degrading model skill. Nesting consistently improved model performance, with version 1’s nest producing the smallest errors overall. HRRR’s ability to represent the stages of sea-breeze forcing was evaluated using radiation budget, surface-energy balance, and near-surface temperature measurements available during WFIP2. The significant site-to-site differences in model error and the complex nature of these errors mean that field-measurement campaigns having dense arrays of profiling sensors are necessary to properly diagnose and characterize model errors, as part of a systematic approach to NWP model improvement. Significance Statement Dramatic increases in NWP model skill will be required over the coming decades. This paper describes the role of major deployments of accurate profiling sensors in achieving that goal and presents an example from the Second Wind Forecast Improvement Program (WFIP2). Wind-profile data from scanning Doppler lidars were used to evaluate two versions of HRRR, the original and an updated version, and nested versions of each. This study focuses on the ability of updated HRRR versions to improve upon predicting a regional sea-breeze flow, which was found to generate large errors by the original HRRR. Updates to the full-scale HRRR versions produced mixed results, but the finer-mesh versions consistently reduced model errors.

Meteorology & Atmospheric Sciences↗

Utah FORGE: Data for 3-D Model Development - Lithology, Temperature, Pressure, and Stress

This submission comprises two downloadable .zip archives. Each archive contains spreadsheets with 3-D data and a .txt document describing the data. The Mesh Files .zip download contains data regarding the lithologic contacts of the granitoid and overlying sedimentary basin fill. The Initial Conditions .zip download contains data regarding temperature, pressure, and stress. These data were generated during Utah FORGE Phase 2 and exported from Seequent Leapfrog Geothermal. They are intended for use in 3-D earth modeling.

15 GEOTHERMAL ENERGY↗