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At least 55 records · Page 3

Powersheds

Powersheds is an open scientific software project for simulating river–reservoir cascades. It combines the performance of Rust with a friendly Python interface to model storage, pool elevation, head, releases, spills, routing lags, and power generation at hourly resolution. Designed for coupling with power-system models, simulations are driven by plant-level target power schedules and report realized generation after accounting for hydrologic and operational constraints.

Turner, Sean [Oak Ridge National Laboratory (ORNL)

CROCUS Optical All Precipitation Gauge Data at Argonne National Laboratory Prairie Site

The APG (Optical Scientific Inc. All-Precipitation Gauge 815-DS) dataset contains one-minute measurements of precipitation rate, precipitation accumulation, air temperature, and present weather detection, both in 4680 format and decoded. Data were collected at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (atmos), instrument name (apg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.

54 ENVIRONMENTAL SCIENCES

CROCUS Tipping Bucket Rain Gauge Data at Argonne National Laboratory Prairie Site

The Tipping Bucket Rain Gauge (TBRG) dataset contains data from both the Nova-Lynx 12 inch TBRG and the Met One 8-inch TBRG. The dataset contains one minute measurements for precipitation accumulation measured in that timeframe from both instruments. Each TBRG was equipped with heaters for all-season measurements. These data are helpful for identifying periods of drought, potential flooding, and general input for water budgets. TBRGs can be used to validate optical rain gauge data and disdrometer data collected during the CROCUS project. Data were collected at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (atmos), instrument name (tbrg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.

1-min Precipitation Accumulation

CROCUS Low Cost All-in-One Weather Station AMB-001 Data Argonne National Laboratory Prairie Site

The Ambient Weather WS-2902D (AMB) is a low cost weather station that has become very useful for filling data gaps in harder to deploy locations. These low cost weather stations collect 13 second data, which is averaged to a five minute data output available to users through an API key. The data files contain measurements for precipitation, temperature, wind chill/heat index, relative humidity, dew point, UV index, solar radiation, wind speed, wind direction, wind gust, and with an external particulate matter 2.5 (PM 2.5) sensor. Having all of these measurements in one condense system allows for fast deploying and dense network capabilities. Three of the AMB weather stations were deployed at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The instruments are denoted by their three digit identifier (CMS-AMB-xxx) format. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (atmos), instrument name (CMS-AMB-001), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or ACT-DOE.

54 ENVIRONMENTAL SCIENCES

CROCUS Low Cost All-in-One Weather Station AMB-002 Data Argonne National Laboratory Prairie Site

The Ambient Weather WS-2902D (AMB) is a low cost weather station that has become very useful for filling data gaps in harder to deploy locations. These low cost weather stations collect 13 second data, which is averaged to a five minute data output available to users through an API key. The data files contain measurements for precipitation, temperature, wind chill/heat index, relative humidity, dew point, UV index, solar radiation, wind speed, wind direction, wind gust, and with an external particulate matter 2.5 (PM 2.5) sensor. Having all of these measurements in one condense system allows for fast deploying and dense network capabilities. Three of the AMB weather stations were deployed at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The instruments are denoted by their three digit identifier (CMS-AMB-xxx) format. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (atmos), instrument name (CMS-AMB-002), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or ACT-DOE.

54 ENVIRONMENTAL SCIENCES

CROCUS Low Cost All-in-One Weather Station AMB-004 Data Argonne National Laboratory Prairie Site

The Ambient Weather WS-2902D (AMB) is a low cost weather station that has become very useful for filling data gaps in harder to deploy locations. These low cost weather stations collect 13 second data, which is averaged to a five minute data output available to users through an Application Programming Interface (API) key. The data files contain measurements for precipitation, temperature, wind chill/heat index, relative humidity, dew point, UV index, solar radiation, wind speed, wind direction, wind gust, and with an external particulate matter 2.5 (PM 2.5) sensor. Having all of these measurements in one condense system allows for fast deploying and dense network capabilities. Three of the AMB weather stations were deployed at the Argonne Testbed for Multiscale Observational Science (ATMOS), a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The instruments are denoted by their three digit identifier (CMS-AMB-xxx) format. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (atmos), instrument name (CMS-AMB-004), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or ACT-DOE.

EARTH SCIENCE > ATMOSPHERE > AEROSOLS > PARTICULAT

CROCUS Tipping Bucket Rain Gauge Data from Argonne Deployable Mast Deployed at Argonne National Laboratory During Urban Flooding Campaign

The Tipping Bucket Rain Gauge (TBRG) dataset contains data from a non-heated Met One 12-inch tipping bucket rain gauge that was mounted on the Argonne Deployable Mast (ADM). The ADM is a rapid deployable meteorological trailer that can be outfitted with instrumentation to measure urban heat island effects, urban flooding or urban flux measurements. During the urban flooding field campaign, the ADM was outfitted with multiple precipitation measurement systems, including the TBRG. This dataset contains one minute measurements for precipitation accumulation during the ADM's deployment at the Argonne Testbed for Multiscale Observational Science (ATMOS) site. These data are helpful for identifying periods of precipitation, leading to potential flooding. TBRGs can be used to validate optical rain gauge data and disdrometer data collected during the CROCUS urban flooding campaign. Data were collected at ATMOS, a 20-acre prairie site at Argonne National Laboratory in Lemont, Illinois. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (ADM-atmos), instrument name (tbrg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.

1-min Precipitation Accumulation

CROCUS Tipping Bucket Rain Gauge Data from Argonne Deployable Mast Deployed at NEIU Carruthers Center for Inner City Studies (CCICS)

The Tipping Bucket Rain Gauge (TBRG) dataset contains data from a non-heated Met One 12-inch tipping bucket rain gauge that was mounted on the Argonne Deployable Mast (ADM). The ADM is a rapid deployable meteorological trailer that can be outfitted with instrumentation to measure urban heat island effects, urban flooding or urban flux measurements. During the urban flooding field campaign, the ADM was outfitted with multiple precipitation measurement systems, including the TBRG. This dataset contains one minute measurements for precipitation accumulation during the ADM's deployment at the Northeastern Illinois University (NEIU) Carruthers Center for Inner City Studies (CCICS) campus. These data are helpful for identifying periods of precipitation, leading to potential flooding. TBRGs can be used to validate optical rain gauge data and disdrometer data collected during the CROCUS urban flooding campaign. Data were collected at the CCICS building parking lot, located in the south side of Chicago, IL. The data is presented as daily NetCDF (.nc) files, each containing approximately 24 hours of observations. Files follow the naming convention of: the project (CROCUS), location (ADM-ccics), instrument name (tbrg), data level (raw, a1), and date (year, month, day). The NetCDF format can be accessed using common scientific software such as Python using xarray, netCDF4 or act-doe.

1-minute Precipitation Accumulation

AutoUncertainties: A Python Package for Uncertainty Propagation

Propagation of uncertainties is of great utility in the experimental sciences. While the rules of (linear) uncertainty propagation are straightforward, managing many variables with uncertainty information can quickly become complicated in large scientific software stacks. Often, this requires programmers to keep track of many variables and implement custom error propagation rules for each mathematical operator and function. The Python package AutoUncertainties, described here, provides a solution to this problem.

97 MATHEMATICS AND COMPUTING

Machine Learning-Driven Conservative-to-Primitive Conversion in Hybrid Piecewise Polytropic and Tabulated Equations of State

We present a novel machine learning (ML)-based method to accelerate conservative-to-primitive inversion, focusing on hybrid piecewise polytropic and tabulated equations of state. Traditional root-finding techniques are computationally expensive, particularly for large-scale relativistic hydrodynamics simulations. To address this, we employ feedforward neural networks (NNC2PS and NNC2PL), trained in PyTorch (2.0+) and optimized for GPU inference using NVIDIA TensorRT (8.4.1), achieving significant speedups with minimal accuracy loss. The NNC2PS model achieves 𝐿 1 and 𝐿 ∞ errors of 4.54 × 10 −7 and 3.44 × 10−6, respectively, while the NNC2PL model exhibits even lower error values. TensorRT optimization with mixed-precision deployment substantially accelerates performance compared to traditional root-finding methods. Specifically, the mixed-precision TensorRT engine for NNC2PS achieves inference speeds approximately 400 times faster than a traditional single-threaded CPU implementation for a dataset size of 1,000,000 points. Ideal parallelization across an entire compute node in the Delta supercomputer (dual AMD 64-core 2.45 GHz Milan processors and 8 NVIDIA A100 GPUs with 40 GB HBM2 RAM and NVLink) predicts a 25-fold speedup for TensorRT over an optimally parallelized numerical method when processing 8 million data points. Moreover, the ML method exhibits sub-linear scaling with increasing dataset sizes. We release the scientific software developed, enabling further validation and extension of our findings. By exploiting the underlying symmetries within the equation of state, these findings highlight the potential of ML, combined with GPU optimization and model quantization, to accelerate conservative-to-primitive inversion in relativistic hydrodynamics simulations.

conservative-to-primitive conversion

Preferred Practices Through a Project Template

In the realm of scientific software development, adherence to best practices is often advocated. However, implementing these can be challenging due to differing opinions. Certain aspects, such as software licenses and naming conventions, are typically left to the discretion of the development team. Our team has established a set of preferred practices, informed by, but not limited to, widely accepted best practices. These preferred practices are derived from our understanding of the specific contexts and user needs we cater to. To facilitate the dissemination of these practices among our team and foster standardization with collaborating domain scientists, we have created a project template for Python projects. This template serves as a platform for discussing the implementation of various decisions. This paper will succinctly delineate the components that constitute an effective project template and elucidate the advantages of consolidating preferred practices in such a manner.

Zhang, Chen

ADEPT: A Pedagogical Framework for Integrating Agentic AI with Deterministic Scientific Workflows

The integration of Large Language Models (LLMs) into scientific research promises to accelerate discovery, yet a significant gap remains between the dynamic reasoning of Artificial Intelligence (AI) agents and the static, deterministic nature of canonical scientific workflows. This paper introduces ADEPT (Agentic Discovery and Exploration Platform for Tools), a reference architecture and pedagogical framework explicitly designed to bridge this gap. ADEPT's primary mission is to provide a transparent, "glass-box" environment where researchers and engineers can learn to effectively wrap established scientific software (e.g., BLAST, Nextflow pipelines) and compose it into reliable, agent-driven workflows. We describe its modular, multi-server architecture, which leverages the Model Context Protocol (MCP) for tool serving, LangGraph for robust agentic orchestration, and a secure nsjail-based sandbox for safe code execution. By prioritizing architectural clarity, safety, and modularity, ADEPT serves as an extensible blueprint for building trustworthy AI-augmented systems and fosters the collaborative development necessary to responsibly employ agentic AI for science. We provide practical examples of how to adapt and extend this framework, highlighting its utility in workforce development and AI-readiness capabilities across research and development projects.

97 MATHEMATICS AND COMPUTING

A status report on the analysis of the NOAA-9 SBUV/2 sweep mode solar irradiance data

Monitoring of the near ultraviolet (UV) solar irradiance is important because the solar UV radiation is the primary energy source in the upper atmosphere. The solar irradiance at wavelengths shortward of roughly 300 nm heats the stratosphere via photodissociation of ozone in the Hartley bands. Shortward of 242 nm the solar UV flux photodissociates O2, which is then available for ozone formation. Upper stratosphere ozone variations coincident with UV solar rotational modulation have been previously reported (Gille et al., 1984). Clearly, short and long term solar irradiance observations are necessary to separate solar-forced ozone variations from anthropogenic changes. The SBUV/2 instrument onboard the NOAA-9 spacecraft has made daily measurements of the solar spectral irradiance at approximately 0.15 nm intervals in the wavelength region 160-405 nm at 1 nm resolution since March 1985. These data are not needed to determine the terrestrial ozone overburden or altitude profile, and hence are not utilized in the NOAA Operational Ozone Product System (OOPS). Therefore, assisted by the ST System Corporation, NASA has developed a scientific software system to process the solar sweep mode data from the NOAA-9 instrument. This software will also be used to process the sweep mode solar irradiance data from the NOAA-11 and later SBUV/2 instruments. An overview of the software system and a brief discussion of analysis findings to date are provided. Several outstanding concerns/problems are also presented.

Cebula, R. P.

US Participation in the GOME and SCIAMACHY Projects

The research performed during this reporting period includes development and maintenance of scientific software for the GOME retrieval algorithms, consultation on operational software development for GOME, further sensitivity and instrument studies to help finalize the definition of the SCIAMACHY instrument, and consultation on optical and detector issues for both GOME and SCIAMACHY. The Global Ozone Monitoring Experiment was successfully launched on the ERS-2 satellite on April 20, 1995, during this reporting period, and is working in the expected fashion. The European Space Agency has made their selections from responses to the Announcement of Opportunity for GOME validation and science studies, part of the overall ERS AO. The Smithsonian Astrophysical Observatory (SAO) proposal has been selected. These proposals are primarily for access to the data; ESA does not provide research funding for the selected investigations. The SAO activities that are carried out as a result of selection by ESA are funded by the present grant, to the limit that can be accomplished at the present level of funding. SCIAMACHY is currently in Phase C/D. Instrument design is almost finalized and selection of infrared detectors from the initial production run has been made.

Chance, K. V.

U.S. Participation in the GOME and SCIAMACHY Projects

This report summarizes research done under NASA Grant NAGW-2541 from April 1, 1996 through March 31, 1997. The research performed during this reporting period includes development and maintenance of scientific software for the GOME retrieval algorithms, consultation on operational software development for GOME, consultation and development for SCIAMACHY near-real-time (NRT) and off-line (OL) data products, and development of infrared line-by-line atmospheric modeling and retrieval capability for SCIAMACHY. SAO also continues to participate in GOME validation studies, to the limit that can be accomplished at the present level of funding. The Global Ozone Monitoring Experiment was successfully launched on the ERS-2 satellite on April 20, 1995, and remains working in normal fashion. SCIAMACHY is currently in instrument characterization. The first two European ozone monitoring instruments (OMI), to fly on the Metop series of operational meteorological satellites being planned by Eumetsat, have been selected to be GOME-type instruments (the first, in fact, will be the refurbished GOME flight spare). K. Chance is the U.S. member of the OMI Users Advisory Group.

Chance, K. V.

US Participation in the GOME and SCIAMACHY Projects

This report summarizes research done under NASA Grant NAGW-2541 through September 30, 1997. The research performed under this grant includes development and maintenance of scientific software for the GOME retrieval algorithms, consultation on operational software development for GOME, sensitivity and instrument studies to define GOME and SCIAMACHY instruments, consultation on optical and detector issues for both GOME and SCIAMACHY, consultation and development for SCIAMACHY near-real-time (NRT) and off-line (OL) data products, and development of infrared line-by-line atmospheric modeling and retrieval capability for SCIAMACHY. The European Space Agency selected the SAO to participate in GOME validation and science studies, part of the overall ERS AO. This provided access to all GOME data; The SAO activities that are carried out as a result of selection by ESA were funded by the present grant. The Global Ozone Monitoring Experiment was successfully launched on the ERS- 2 satellite on April 20, 1995, and remains working in normal fashion. SCIAMACHY is currently scheduled for launch in early 2000. The first two European ozone monitoring instruments (OMI), to fly on the q series of operational meteorological satellites being planned by Eumetsat, have been selected to be GOME-type instruments (the first, in fact, will be the refurbished GOME flight spare). K. Chance is the U.S. member of the OMI Users Advisory Group.

Chance, K. V.

The Kalman Filter and High Performance Computing at NASA's Data Assimilation Office (DAO)

Atmospheric data assimilation is a method of combining actual observations with model simulations to produce a more accurate description of the earth system than the observations alone provide. The output of data assimilation, sometimes called "the analysis", are accurate regular, gridded datasets of observed and unobserved variables. This is used not only for weather forecasting but is becoming increasingly important for climate research. For example, these datasets may be used to assess retrospectively energy budgets or the effects of trace gases such as ozone. This allows researchers to understand processes driving weather and climate, which have important scientific and policy implications. The primary goal of the NASA's Data Assimilation Office (DAO) is to provide datasets for climate research and to support NASA satellite and aircraft missions. This presentation will: (1) describe ongoing work on the advanced Kalman/Lagrangian filter parallel algorithm for the assimilation of trace gases in the stratosphere; and (2) discuss the Kalman filter in relation to other presentations from the DAO on Four Dimensional Data Assimilation at this meeting. Although the designation "Kalman filter" is often used to describe the overarching work, the series of talks will show that the scientific software and the kind of parallelization techniques that are being developed at the DAO are very different depending on the type of problem being considered, the extent to which the problem is mission critical, and the degree of Software Engineering that has to be applied.

Lyster, Peter M.

General Purpose Fortran Program for Discrete-Ordinate-Method Radiative Transfer in Scattering and Emitting Layered Media: An Update of DISORT

This update reports a state-of-the-art discrete ordinate algorithm for monochromatic unpolarized radiative transfer in non-isothermal, vertically inhomogeneous, but horizontally homogeneous media. The physical processes included are Planckian thermal emission, scattering with arbitrary phase function, absorption, and surface bidirectional reflection. The system may be driven by parallel or isotropic diffuse radiation incident at the top boundary, as well as by internal thermal sources and thermal emission from the boundaries. Radiances, fluxes, and mean intensities are returned at user-specified angles and levels. DISORT has enjoyed considerable popularity in the atmospheric science and other communities since its introduction in 1988. Several new DISORT features are described in this update: intensity correction algorithms designed to compensate for the 8-M forward-peak scaling and obtain accurate intensities even in low orders of approximation; a more general surface bidirectional reflection option; and an exponential-linear approximation of the Planck function allowing more accurate solutions in the presence of large temperature gradients. DISORT has been designed to be an exemplar of good scientific software as well as a program of intrinsic utility. An extraordinary effort has been made to make it numerically well-conditioned, error-resistant, and user-friendly, and to take advantage of robust existing software tools. A thorough test suite is provided to verify the program both against published results, and for consistency where there are no published results. This careful attention to software design has been just as important in DISORT's popularity as its powerful algorithmic content.

Tsay, Si-Chee