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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7

The 200 Gbps Challenge: Imagining HL-LHC analysis facilities

The IRIS-HEP software institute, as a contributor to the broader HEP Python ecosystem, is developing scalable analysis infrastructure and software tools to address the upcoming HL-LHC computing challenges with new approaches and paradigms, driven by our vision of what HL-LHC analysis will require. The institute uses a "Grand Challenge" format, constructing a series of increasingly large, complex, and realistic exercises to show the vision of HL-LHC analysis. Recently, the focus has been demonstrating the IRIS-HEP analysis infrastructure at scale and evaluating technology readiness for production. As a part of the Analysis Grand Challenge activities, the institute executed a "200 Gbps Challenge", aiming to show sustained data rates into the event processing of multiple analysis pipelines. The challenge integrated teams internal and external to the institute, including operations and facilities, analysis software tools, innovative data delivery and management services, and scalable analysis infrastructure. The challenge showcases the prototypes - including software, services, and facilities - built to process around 200 TB of data in both the CMS NanoAOD and ATLAS PHYSLITE data formats with test pipelines. The teams were able to sustain the 200 Gbps target across multiple pipelines. The pipelines focusing on event rate were able to process at over 30 MHz. These target rates are demanding; the activity revealed considerations for future testing at this scale and changes necessary for physicists to work at this scale in the future. The 200 Gbps Challenge has established a baseline on today's facilities, setting the stage for the next exercise at twice the scale.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Library for Evolutionary Algorithms in Python (LEAP)

There are generally three types of scientific software users: users that solve problems using existing science software tools, researchers that explore new approaches by extending existing code, and educators that teach students scientific concepts. Python is a general-purpose programming language that is accessible to beginners, such as students, but also as a language that has a rich scientific programming ecosystem that facilitates writing research software. Additionally, as high-performance computing (HPC) resources become more readily available, software support for parallel processing becomes more relevant to scientific software.There currently are no Python-based evolutionary computation frameworks that support all three types of scientific software users. Moreover, some support synchronous concurrent fitness evaluation that do not efficiently use HPC resources. We pose here a new Python-based EC framework that uses an established generalized unified approach to EA concepts to provide an easy to use toolkit for users wishing to use an EA to solve a problem, for researchers to implement novel approaches, and for providing a low-bar to entry to EA concepts for students. Additionally, this toolkit provides a scalable asynchronous fitness evaluation implementation friendly to HPC that has been vetted on hardware ranging from laptops to the world’s fastest supercomputer, Summit.

Coletti, Mark↗

Extravehicular Activity Mission System Software (EMSS) - Enabling Human Planetary Exploration Data Within The Broader Planetary Data Ecosystem

The planetary science community is once again on the verge of generating, capturing and analyzing human planetary exploration data, this time via the Artemis program. Artemis missions will involve robotic missions in addition to human extravehicular activity (EVA) where crew will be generating scientific data [1]. Present-day robotic mission data expectations for data archiving involves ingesting data into the Planetary Data System (PDS), but how might PDS be leveraged/adapted/ready (or not) for human spaceflight mission data, particularly EVA data that includes non-scientific data that provides important context to the scientific data gathered on the lunar surface? This question has broader implications than what this abstract can answer, but we wanted to pose the question to 1) get conversations started and 2) highlight how operations software data handling could play a role in overall data curation.

M J Miller↗

Application of FARM to an IES scenario within the FORCE ecosystem

The FARM (Feasible Actuator Range Modifier) software module is a component of the RAVEN-based FORCE framework for analysis of Integrated Energy Systems (IES). FARM supports the HERON software module in the evaluation of the optimal dispatch by evaluating feasible set-points for the different IES unit components. Set-points are required to satisfy limits on both production variables (i.e., the variables to be optimized such as the electrical power, the hydrogen production rate, etc.) and process variables tied to the service life of equipment (e.g., steam flowrate, vessel pressure, turbine firing temperature, etc.). This problem is addressed by adopting a two-stage approach. First, the HERON power dispatcher determines set-points that meet the constraints on the former variables (e.g., power levels and power ramp rate limits). These constraints are called explicit constraints. Then, FARM adjusts these set-points to ensure the respect of the limits on the latter variables given the knowledge of the system physics acquired through machine learning algorithms. These constraints are called implicit constraints. From this standpoint, FARM constitutes a bridge between the HERON power dispatcher that adopts a simplified description of the IES unit (low-resolution physics) and the HYBRID high-fidelity models (high-resolution physics). The original version of the FARM software module (FARM-Alpha) was released by Argonne National Laboratory in January 2021. In the latest version of the code released in July 2022 (FARM-Delta), the Reference Governor (RG) algorithm was upgraded to a Multi-Input Multi-Output version from its original Single-Input Single-Output form. The RG algorithm acts to enforce constraints. With this improvement an IES unit is now treated as a single dynamic system from the standpoint of control. The crosstalk among components in an IES unit is now fully considered thereby ensuring a true optimization is obtained for those units that have multiple set-points. In this report, the capabilities of FARM-Delta operating within the FORCE ecosystem are demonstrated for an IES test case. The specific configuration of IES unit for this case was selected by the IES team with consultation from the Advanced Reactor IES Expert Group. A full TEA analysis that invoked HERON, HYBRID, FARM, and RAVEN was performed and serves to demonstrate how the latest modification to FARM algorithms (i.e., state variable selection, state-space matrices derivation, set-point verification) can shape setpoints that might otherwise compromise the health of equipment through accelerated wear and tear. In this specific test case, it was demonstrated that these algorithms ensure a more efficient utilization of steam resources to be shared by two different subsystems, namely Balance of Plant (BOP) and High-Temperature Steam Electrolysis (HTSE). Finally, some code improvements that can further enhance the user-friendliness are suggested.

97 MATHEMATICS AND COMPUTING↗

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome converted existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code when the internship started, but that has changed throughout my internship. Conversion of C++ codes to ROS enabled existing code to be compatible with ROS, and is now controlled using an existing PS3 controller. Furthermore, my job description was to design ROS messages and script programs that enabled assets to participate in the ROS ecosystem by subscribing and publishing messages. Software programming source code is written in directories using C++. Testing of software assets included compiling code within the Linux environment using a terminal. The terminal ran the code from a directory. Several problems occurred while compiling code and the code would not compile. So modifying code to where C++ can read the source code were made. Once the code was compiled and ran, the code was uploaded to Hexapod and then controlled by a PS3 controller. The project outcome has the Hexapod fully functional and compatible with ROS and operates using the PlayStation 3 controller. In addition, an open source software (IDE) Arduino board will be integrated into the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module, digital clock that will run off 22 satellites to show accurate real time using a GPS signal and an internal patch antenna to communicate with satellites. In addition, this internship experience has led me to pursue myself to learn coding more efficiently and effectively to write, subscribe and publish my own source code in different programming languages. With some familiarity with software programming, it will enhance my skills in the electrical engineering field. In contrast, my experience here at JSC with the Simulation and Graphics Branch (ER7) has led me to take my coding skill to be more proficient to increase my knowledge in software programming, and also enhancing my skills in ROS. This knowledge will be taken back to my university to implement coding in a school project that will use source coding and ROS to work on the PR2 robot which is controlled by ROS software. My skills learned here will be used to integrate messages to subscribe and publish ROS messages to a PR2 robot. The PR2 robot will be controlled by an existing PS3 controller by changing C++ coding to subscribe and publish messages to ROS. Overall the skills that were obtained here will not be lost, but increased.

Davis, Kirsch↗

Open-Source and FAIR Research Software for Proteomics

Scientific discovery relies on innovative software as much as experimental methods, especially in proteomics, where computational tools are essential for mass spectrometer setup, data analysis, and interpretation. Since the introduction of SEQUEST, proteomics software has grown into a complex ecosystem of algorithms, predictive models, and workflows, but the field faces challenges, including the increasing complexity of mass spectrometry data, limited reproducibility due to proprietary software, and difficulties integrating with other omics disciplines. Closed-source, platform-specific tools exacerbate these issues by restricting innovation, creating inefficiencies, and imposing hidden costs on the community. Open-source software (OSS), aligned with the FAIR Principles (Findable, Accessible, Interoperable, Reusable), offers a solution by promoting transparency, reproducibility, and community-driven development, which fosters collaboration and continuous improvement. In this manuscript, we explore the role of OSS in computational proteomics, its alignment with FAIR principles, and its potential to address challenges related to licensing, distribution, and standardization. Drawing on lessons from other omics fields, we present a vision for a future where OSS and FAIR principles underpin a transparent, accessible, and innovative proteomics community.

97 MATHEMATICS AND COMPUTING↗

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome will convert existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate and to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code. Conversion of C++ codes to ROS will enable existing code to be compatible with ROS, and will be controlled using existing PS3 controller. Furthermore, my job description is to design ROS messages and script programs which will enable assets to participate in the ROS ecosystem. In addition, an open source software (IDE) Arduino board will be integrated in the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module digital clock that will run off 22 satellites to show accurate real time using a GPS signal and internal patch antenna to communicate with satellites.

Davis, Kirsch↗

AmeriFlux FLUXNET-1F US-Sta Saratoga

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Sta Saratoga. This is the FLUXNET version of the carbon flux data for the site US-Sta Saratoga produced by applying the standard ONEFlux (1F) software. Site Description - Sagebrush steppe ecosystem

Ewers, Brent [University of Wyoming]↗

SmoQyDQMC.jl: A flexible implementation of determinant quantum Monte Carlo for Hubbard and electron-phonon interactions

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Codebase release r0.3 for SmoQyDQMC.jl

We introduce the SmoQyDQMC.jl package, a Julia implementation of the determinant quantum Monte Carlo algorithm. SmoQyDQMC.jl supports generalized tight-binding Hamiltonians with on-site Hubbard and generalized electron-phonon ( e e -ph) interactions, including non-linear e e -ph coupling and anharmonic lattice potentials. Our implementation uses hybrid Monte Carlo methods with exact forces for sampling the phonon fields, enabling efficient simulation of low-energy phonon branches, including acoustic phonons. The SmoQyDQMC.jl package also uses a flexible scripting interface, allowing users to adapt it to different workflows and interface with other software packages in the Julia ecosystem. The code for this package can be downloaded from our GitHub repository at https://github.com/SmoQySuite/SmoQyDQMC.jl or installed using the Julia package manager. The online documentation, including examples, can be obtained from our document page at https://smoqysuite.github.io/SmoQyDQMC.jl/stable/.

Cohen-Stead, Benjamin (ORCID:0000000279156280)↗

Choppy Lite

The existing methodologies for gathering and computing zonal statistics from the combination of a raster image and a shapefile either require advanced programming knowledge in at least one language or the use of proprietary software such as ArcGIS. The software “Choppy Lite” offers several solutions for acquiring zonal statistics that can be used without proprietary software or programming knowledge. This software provides a Docker-based ecosystem, allowing users of any experience level to simply run a single line command in a terminal prompt independent of the operating system. Intermediate to advanced users can import the class provided by the software package into their own Python scripts.

Grant, JoshuaN.↗

Viskores: Integrating Parallel Scientific Visualization Research into Applications

Viskores is a scientific visualization library that is the primary deployment of such algorithms to the parallel accelerated processors of modern DOE supercomputers. In this paper, we review the capabilities provided by Viskores and how these capabilities are leveraged by other software in the high-performance computing ecosystem. We discuss the Viskores data representation and pay particular attention to array management. Through this array management we describe how data is adapted between Viskores and other software along with strategies for converting dynamic, polymorphic objects to static representations better suited to GPU processing. We conclude with several examples of Viskores integrating with high-performance software that is used in production today.

Moreland, Ken [ORNL] (ORCID:0000000270513288)↗

Astro2020 APC White Paper: Elevating the Role of Software as a Product of the Research Enterprise

Software is a critical part of modern research, and yet there are insufficient mechanisms in the scholarly ecosystem to acknowledge, cite, and measure the impact of research software. The majority of academic fields rely on a one-dimensional credit model whereby academic articles (and their associated citations) are the dominant factor in the success of a researcher's career. In the petabyte era of astronomical science, citing software and measuring its impact enables academia to retain and reward researchers that make significant software contributions. These highly skilled researchers must be retained to maximize the scientific return from petabyte-scale datasets. Evolving beyond the one-dimensional credit model requires overcoming several key challenges, including the current scholarly ecosystem and scientific culture issues. This white paper will present these challenges and suggest practical solutions for elevating the role of software as a product of the research enterprise.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Arctic-Boreal vulnerability experiment model benchmarking system

Abstract NASA’s Arctic-Boreal Vulnerability Experiment (ABoVE) integrates field and airborne data into modeling and synthesis activities for understanding Arctic and Boreal ecosystem dynamics. The ABoVE Benchmarking System (ABS) is an operational software package to evaluate terrestrial biosphere models against key indicators of Arctic and Boreal ecosystem dynamics, i.e.: carbon biogeochemistry, vegetation, permafrost, hydrology, and disturbance. The ABS utilizes satellite remote sensing data, airborne data, and field data from ABoVE as well as collaborating research networks in the region, e.g.: the Permafrost Carbon Network, the International Soil Carbon Network, the Northern Circumpolar Soil Carbon Database, AmeriFlux sites, the Moderate Resolution Imaging Spectroradiometer, the Orbiting Carbon Observatory 2, and the Soil Moisture Active Passive mission. The ABS is designed to be interactive for researchers interested in having their models accurately represent observations of key Arctic indicators: a user submits model results to the system, the system evaluates the model results against a set of Arctic-Boreal benchmarks outlined in the ABoVE Concise Experiment Plan, and the user then receives a quantitative scoring of model strengths and deficiencies through a web interface. This interactivity allows model developers to iteratively improve their model for the Arctic-Boreal Region by evaluating results from successive model versions. We show here, for illustration, the improvement of the Lund–Potsdam–Jena-Wald Schnee und Landschaft (LPJwsl) version model through the ABoVE ABS as a new permafrost module is coupled to the existing model framework. The ABS will continue to incorporate new benchmarks that address indicators of Arctic-Boreal ecosystem dynamics as they become available.

Stofferahn, Eric (ORCID:0000000169604193)↗

The Arctic-Boreal vulnerability experiment model benchmarking system

NASA's Arctic-Boreal Vulnerability Experiment (ABoVE) integrates field and airborne data into modeling and synthesis activities for understanding Arctic and Boreal ecosystem dynamics. The ABoVE Benchmarking System (ABS) is an operational software package to evaluate terrestrial biosphere models against key indicators of Arctic and Boreal ecosystem dynamics, i.e.: carbon biogeochemistry, vegetation, permafrost, hydrology, and disturbance. The ABS utilizes satellite remote sensing data, airborne data, and field data from ABoVE as well as collaborating research networks in the region, e.g.: the Permafrost Carbon Network, the International Soil Carbon Network, the Northern Circumpolar Soil Carbon Database, AmeriFlux sites, the Moderate Resolution Imaging Spectroradiometer, the Orbiting Carbon Observatory 2, and the Soil Moisture Active Passive mission. The ABS is designed to be interactive for researchers interested in having their models accurately represent observations of key Arctic indicators: a user submits model results to the system, the system evaluates the model results against a set of Arctic-Boreal benchmarks outlined in the ABoVE Concise Experiment Plan, and the user then receives a quantitative scoring of model strengths and deficiencies through a web interface. This interactivity allows model developers to iteratively improve their model for the Arctic-Boreal Region by evaluating results from successive model versions. We show here, for illustration, the improvement of the Lund–Potsdam–Jena-Wald Schnee und Landschaft (LPJwsl) version model through the ABoVE ABS as a new permafrost module is coupled to the existing model framework. The ABS will continue to incorporate new benchmarks that address indicators of Arctic-Boreal ecosystem dynamics as they become available.

ABoVE↗

Trilinos: Enabling Scientific Computing across Diverse Hardware Architectures at Scale

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has undergone substantial changes to support new applications and new hardware architectures, this document is an update to “An Overview of the Trilinos project” by Heroux et al. (ACM Transactions on Mathematical Software, 31(3):397–423, 2005). It describes the design of Trilinos, introduces its new organization in product areas, and highlights established and new features available in Trilinos. Particular focus is put on the modernized software stack based on the Kokkos ecosystem to deliver performance portability across heterogeneous hardware architectures. This article also outlines the organization of the Trilinos community and the contribution model to help onboard interested users and contributors.

Heterogeneous Hardware Architectures↗

AmeriFlux FLUXNET-1F US-GLE GLEES

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-GLE GLEES. This is the FLUXNET version of the carbon flux data for the site US-GLE GLEES produced by applying the standard ONEFlux (1F) software. Site Description - The Glacier Lakes Ecosystem Experiments Site (GLEES) site is located on land owned by the U.S. government and managed by US Forest Service as part of the Medicine Bow National Forest. Many of the trees in the immediate vicinity of the site are older than 400 years, inter-dispersed among trees much younger in age. This widespread age distribution is most likely a derivation of one of two scenarios: 1) A widespread stand replacement about 400 years ago followed by a slow replacement; 2) Intermittent random disturbances over the past 400 years (Bradford et al. 2008). A decade long spruce beetle outbreak that peaked in 2008 resulted in the mortality of 85% of the forested basal area. There are a few private land holdings in the area, with scattered uncorked mining claims. Following the establishment of the National Forest, mining was banned and grazing was closed in the early 1990's in the upper portion of the GLEES site. Recreation in the winter, when snow can remain in patches into the summer months, snow mobiling and cross country skiing are popular. During the limited summer, hiking, camping and fishing are common activities. The site is accessible by vehicle only during the summer on Forest Road FDR 317, and in the winter, the tower is only reachable via snowmobile.

Frank, John↗

AmeriFlux FLUXNET-1F CA-DBB Delta Burns Bog

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site CA-DBB Delta Burns Bog. This is the FLUXNET version of the carbon flux data for the site CA-DBB Delta Burns Bog produced by applying the standard ONEFlux (1F) software. Site Description - Disturbed raised bog ecosystem (peat harvesting 1957 to 1963). Site has been restored and rewetted in 2007 by ditch blocking.

Christen, Andreas↗