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At least 397 records · Page 22

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DOE OSTI2023

AmeriFlux FLUXNET-1F US-Mo1 LTAR CMRB Field 1 (CMRB ASP)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-Mo1 LTAR CMRB Field 1 (CMRB ASP). This is the FLUXNET version of the carbon flux data for the site US-Mo1 LTAR CMRB Field 1 (CMRB ASP) produced by applying the standard ONEFlux (1F) software. Site Description - Site is in a 36 ha agricultural research field near Centralia, MO on a broad, slightly sloped landscape. Currently farmed in a corn-soybean-wheat-hay rotation. Used for research since 1991; prior to that was managed for commercial crop production.

Schreiner-McGraw, Adam↗

DOE OSTI2025

AmeriFlux FLUXNET-1F US-xNW NEON Niwot Ridge Mountain Research Station (NIWO)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xNW NEON Niwot Ridge Mountain Research Station (NIWO). This is the FLUXNET version of the carbon flux data for the site US-xNW NEON Niwot Ridge Mountain Research Station (NIWO) produced by applying the standard ONEFlux (1F) software. Site Description - The Niwot Ridge sits approximately 27 km west of Boulder, Colorado, and 6 km east of the Continental Divide. Topography, climate, and biota of the site are representative of Rocky Mountain alpine ecosystems, including extensive alpine tundra (mostly herbs, some shrubs and scree) and subalpine coniferous forests (Abies lasciocarpa and Picea engelmanii at higher elevations), talus slopes, wetlands and a variety of glacial landforms. Characterized by cold and relatively long winters, Niwot Ridge has an average annual temperature of 1.5°C and average annual precipitation of 800 mm. Most precipitation falls as snow and summer precipitation falls primarily during afternoon thunderstorms. Located on the eastern side of the Continental Divide at 3,000-3,500 m elevation, the site best captures chemical inputs produced along the Front Range and is well situated to observe other east/west flows across the Southern Rockies in conjunction with other NEON sites.

Network), NEON (National Ecological Observatory [N↗

DOE OSTI2026

AmeriFlux FLUXNET-1F BR-ITA MataFLUX: Multi-species tree restoration planting

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site BR-ITA MataFLUX: Multi-species tree restoration planting. This is the FLUXNET version of the carbon flux data for the site BR-ITA MataFLUX: Multi-species tree restoration planting produced by applying the standard ONEFlux (1F) software. Site Description - This tower is situated at the Itatinga Research Station (USP-ESALQ), located within the Brazilian Atlantic Forest. The station focuses on promoting forest research and features a landscape consisting of eucalyptus plantations and native species restoration areas.

Guillemot, Joannès [Cirad]↗

DOE OSTI2020

MIRaGE: Design Software for Metamaterials

Metamaterials are artificial optical structures that allow control of light in ways not found in, or offered by, naturally occurring materials. Sandia's Multiscale Inverse Rapid Group-theory for Engineered-metamaterials (MIRaGE) software, which won an R&D100 award in 2019, allows researchers to deterministically design and produce metamaterials with unique characteristics. MIRaGE also provides powerful autonomous optimization techniques for real-world performance in a rigorous, robust, and accurate manner.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Surface Roughness Effects from Additive Manufacturing in High Efficiency Gas Turbine Combustion Systems

In the past, clean combustion systems were characterized by high system development costs due to growing complexity and escalating manufacturing costs from conventional manufacturing processes. As a result, high efficiency concepts are difficult to design and more difficult to be cost-effectively manufactured. In recent years, with the introduction of additive manufacturing (AM) technologies, the rapid prototyping and mass production processes of clean combustion systems are promising to be significantly simplified with significant reduction in terms of engine manufacturing cost and engine energy cost. Compared with conventional manufacturing built parts, the AM process enabled a simpler design to be adopted for the nozzle, reducing the number of required braze and weld joints from twenty-five to just five. The resulting nozzle was 25% lighter and five times more durable and contributed to a 15% reduction in fuel burn in comparison with the previous model produced. Applying these improvements to a fleet of 5,000 turbofan engines at 150 kN thrust would result in fuel cost savings of $ \$ $6B annually (at $ \$ $5/gallon Jet-A fuel price, 700 gallon/hour fuel consumption rate, and 2,300 operational hours per year), and reduce CO2 emissions by more than 25 million tons per year. These advances support core Department of Energy (DOE) missions in energy efficiency, improving productivity, and environmental sustainability. Maximizing the benefit of these new capabilities will require high prediction capability of high speed turbulent flow with wall modeled Large Eddy Simulation (LES). GE Aviation maintains that advanced simulation technology and supercomputing is required in order to provide the appropriate boundary conditions to realize the maximum potential of AM and Ceramic Matrix Composite to reduce cooling flow, a first order penalty on the Brayton cycle. The algorithm developed using the ANSYS/Fluent software would provide the foundation for entirely new avenues of research and development with potential multi-billion dollar impact to the US economy, and significant reduction in carbon based emissions across the aerospace and power generation industries. The formulation of this iWLES (integral wall model for LES) is generic and allows to capture the changes in flow dynamics that have a significant impact on the wall bounded flow characteristics, such as swirler effective area, bulk swirl number, local pressure distribution, exit velocity profile, and turbulence kinetic energy profile. A periodic channel flow with rough flat plate is simulated using LES (Wall-Adapting Local Eddy-viscosity) model to verify the implementation of iWLES in the Fluent User Defined Function (UDF). As the flow fields are highly sensitive due to surface roughness of the wall bounded flows in the combustion systems, there is significant potential to conduct further LES studies focusing on the turbulence boundary layer interaction. Accurately capturing near wall physics will elucidate the impact of rough surfaces on combustor flow and aero-thermal interactions.

42 ENGINEERING↗

DOE OSTI2023

Surface Roughness Effects from Additive Manufacturing in High Efficiency Gas Turbine Combustion Systems

In the past, clean combustion systems were characterized by high system development costs due to growing complexity and escalating manufacturing costs from conventional manufacturing processes. As a result, high efficiency concepts are difficult to design and more difficult to be cost-effectively manufactured. In recent years, with the introduction of additive manufacturing (AM) technologies, the rapid prototyping and mass production processes of clean combustion systems are promising to be significantly simplified with significant reduction in terms of engine manufacturing cost and engine energy cost. Compared with conventional manufacturing built parts, the AM process enabled a simpler design to be adopted for the nozzle, reducing the number of required braze and weld joints from twenty-five to just five. The resulting nozzle was 25% lighter and five times more durable and contributed to a 15% reduction in fuel burn in comparison with the previous model produced. Applying these improvements to a fleet of 5,000 turbofan engines at 150 kN thrust would result in fuel cost savings of $6B annually (at $5/gallon Jet-A fuel price, 700 gallon/hour fuel consumption rate, and 2,300 operational hours per year),and reduce CO2 emissions by more than 25 million tons per year. These advances support core Department of Energy (DOE)missions in energy efficiency, improving productivity, and environmental sustainability. Maximizing the benefit of these new capabilities will require high prediction capability of high speed turbulent flow with wall modeled Large Eddy Simulation (LES). GE Aviation maintains that advanced simulation technology and supercomputing is required in order to provide the appropriate boundary conditions to realize the maximum potential of AM and Ceramic Matrix Composite to reduce cooling flow, a first order penalty on the Brayton cycle. The algorithm developed using the ANSYS/Fluent software would provide the foundation for entirely new avenues of research and development with potential multi-billion dollar impact to the US economy, and significant reduction in carbon based emissions across the aerospace and power generation industries. The formulation of this iWLES (integral wall model for LES) is generic and allows to capture the changes in flow dynamics that have a significant impact on the wall bounded flow characteristics, such as swirler effective area, bulk swirl number, local pressure distribution, exit velocity profile, and turbulence kinetic energy profile. A periodic channel flow with rough flat plate is simulated using LES (Wall-Adapting Local Eddy-viscosity) model to verify the implementation of iWLES in the Fluent User Defined Function (UDF). As the flow fields are highly sensitive due to surface roughness of the wall bounded flows in the combustion systems, there is significant potential to conduct further LES studies focusing on the turbulence boundary layer interaction. Accurately capturing near wall physics will elucidate the impact of rough surfaces on combustor flow and aero-thermal interactions.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2024

CARD: CFD for Advanced Reactor Design

Software Tools and Expertise To Address Multiphase Flow Challenges in<p>Research, Design, and Optimization</p><p>This is the annual CARD project update to be presented at the 2024 FECM/NETL Spring R&D Project Review Meeting.</p>

Dietiker, Jeff↗

DOE OSTI2025

Investigation into Scalable and Detection-Enhanced Satellite Conjunction Assessment

Imaging opportunities (viewable conjunctions) of Resident Space Objects (RSOs) by satellites are not continuously discovered. We propose to continuously produce and report viewable conjunctions among objects in orbit. Viewable conjunctions are events in space and time when a satellite may favorably view a Resident Space Object (RSO). Favorability is defined by a set of constraints, e.g., solar illumination, distance between observer and target, orbital location for viewable event. Computing viewable conjunctions requires calculation of orbital propagation while considering constraints based on the state vectors of position, velocity, with covariance for both satellite and RSO. We propose two parallel lanes of effort: acceleration and research. The objective of acceleration is to avoid missed opportunities and reduce latency for satellite maneuver requests through continuous prediction and reporting of viewable conjunctions. The effort will begin by deploying currently available software on dedicated systems and continue with optimizing the code for high performance computing hardware. The research lane aims to expand RSO inspection and modeling capabilities. Among our current research ideas are spectral characterization of RSO materials and planning multiple observations to recover RSO 3D form. Computing resources at Oak Ridge National Laboratory (ORNL) are available for the acceleration work. Laika, Maxar conjunction prediction dashboard software, and Bluesim, Maxar orbital propagation software, are expected to be the first software in the acceleration lane. Laike and Bluesim are to be provided by the sponsor, and output will be made accessible through its dashboard. Deliverables will follow a gated schedule to the sponsor. ORNL will provide progressively more robust viewable conjunction assessments from both modelled and actual ephemerides.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Mini Report: LLMs for Vulnerability Repair in Code

Software vulnerability repair is a notoriously difficult task that is both time consuming and labor intensive. While research into this area has a long history, the recent successes of large language models (LLMs) across many tasks have also spurred efforts to leverage LLM capabilities for automated software vulnerability repair. Currently, there are limitations in the capabilities of LLMs to fix bugs and insufficiently addressed problems in the evaluations of these studies may cause performance to not transfer when they are used in practice. Additionally, most research in the area treats finding and fixing bugs as separate concerns - how to best combine all the subtasks involved in removing vulnerabilities from code remains an open question. In this report, we summarize our findings and opinions on the current state of the art in LLM-assisted code vulnerability repair, highlighting current unresolved problems in the field as well as potential applications and future research.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Creating a Simulation Platform for Research and Development of Advanced Control Methods

Advanced nuclear reactors are essential to meet the changing energy requirements throughout both the United States and the rest of world. In addition to other features, they are designed to enable deployment in remote locations and operate in a fully (or near-fully) autonomous manner, which will require a new control paradigm. To realize autonomously operating reactors, the U.S. Department of Energy’s Nuclear Energy Enabling Technologies Advanced Sensors and Instrumentation (NEET ASI) program conducts research and development into the enabling technologies and methods needed, including digital twins, machine learning, and risk modeling, in addition to various types of control methods. These technologies and methods are the key foundations needed to achieve fully autonomous systems. To develop and evaluate the technologies and methods necessary for achieving autonomous operations, it is critical to identify a software tool capable of integrating all the required elements. In surveying the available solutions, no software platforms were identified that could accomplish what was needed without introducing drawbacks. This challenge was the motivation for the current effort: to develop a software platform that can seamlessly integrate autonomouscontrol-enabling technologies and methods, allowing for accelerated research and development and transfer of ideas. The resulting platform, known as the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND), is Python-based, and leverages open-source tools to provide flexibility and facilitate building upon prior research. It is designed to enable advanced reactor developers to deploy and test advanced control technologies and methods coupled with their own models, solutions, and hardware. Given the substantial undertaking of developing such a platform, the current effort focused on laying down scalable, flexible software foundations and infrastructure, then demonstrating the platform via a use case. These foundations included developing generic modules, which contain the base variable and system blocks (the information and functional building blocks, respectively, that can be used to design a simulation) and the data handling and storage blocks needed to exchange information between the various blocks; as well as enablingtechnology-specific modules. This platform was evaluated via a use case, which was to simulate and control a process for the Microreactor Automated Control System (MACS) test bed. While MACS is not currently directly coupled to any specific microreactor physics, it was initially developed in concert with the Microreactor Applications Research Validation and Evaluation (MARVEL) microreactor, and so the MARVEL physics are used here. As part of this use case, several enabling-technology-specific blocks within COMMAND were integrated, including a proportional integral derivative (PID) control block, a Reactor Excursion and Leak Analysis Program (RELAP5-3D) block, and an anomaly detection block. The COMMAND software platform was successfully demonstrated to achieve the scalability and flexibility objectives of this effort and will be leveraged by the program’s research efforts to advance state of the art control methodologies towards autonomous operations of advanced reactors. As new use cases are created and implemented, it is anticipated that COMMAND will continue to grow and evolve to meet new requirements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Modular autopilot design and development featuring bayesian non-parametric adaptive control

According to an embodiment, there is provided an onboard integrated computational system for an unmanned aircraft system (“Stabilis” autopilot). This is an integrated suite of hardware, software, and data-to-decisions services that are designed to meet the needs of business and research developers of UAS. Stabilis is designed to accelerate the development of any UAS platform and avionics system; it does so with hardware modularity and software adaptation. The Stabilis offers multiple technological advantages technological advantages including: Plug-and-adapt functionality; Data-to-decisions capability; and, On board parallelization capability.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Quantum Application Specifications and Benchmarks

This software describes computational tasks for quantum computers that are derived from LANL basic science research applications such as the modeling of materials, chemicals and compounds at atomic scales. The computations focus on quantum simulation tasks, such as quantum dynamics, thermal state preparation and ground state estimation. The primary function of the software is to develop estimates of the requirements for large-scale fault-tolerant quantum computers to solve these scientific computations. The secondary focus of the software are codes for assessing the limitations of conducting quantum computations on classical computers.

Coffrin, Carleton↗

DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗

DOE OSTI2020

Caspian: A Neuromorphic Development Platform

Current neuromorphic systems often may be difficult to use and costly to deploy. There exists a need for a simple yet flexible neuromorphic development platform which can allow researchers to quickly prototype ideas and applications. Caspian offers a high-level API along with a fast spiking simulator to enable the rapid development of neuromorphic solutions. It further offers an FPGA architecture that allows for simplified deployment -- particularly in SWaP (size, weight, and power) constrained environments. Leveraging both software and hardware, Caspian aims to accelerate development and deployment while enabling new researchers to quickly become productive with a spiking neural network system.

Mitchell, Parker↗

DOE OSTI2025

STAT7 v2.0 Verification and Validation Report

This report documents the software testing which has been performed for STAT7 Version 2.0 (hereafter STAT7 v2.0), a code for the statistical propagation of uncertainties in steady-state thermal hydraulics (TH) analysis of plate-fueled research and test reactors. The key capabilities addressed in this testing were selected based on the use of the software for analysis work supporting the conversion to low-enriched uranium fuel of U.S. High-Performance Research Reactors (USHPRR) such as the Massachusetts Institute of Technology Research Reactor (MITR-II). This testing scope includes comparison of the code’s statistical processing capabilities using statistical tests, comparison of coolant property evaluations to NIST data tables, and systematic comparison of key TH solver capabilities to the results of hand calculations and to predictions from PLTEMP/ANL Version 4.4. The

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Integrated Transmission-and-Distribution System Modeling of Power Systems: State-of-the-Art and Future Research Directions

Integrated transmission-and-distribution (T&D) modeling is a new and developing method for simulating power systems. Interest in integrated T&D modeling is driven by the changes taking place in power systems worldwide that are resulting in more decentralized power systems with increasingly high levels of distributed energy resources. Additionally, the increasing role of the hitherto passive energy consumer in the management and operation of power systems requires more capable and detailed integrated T&D modeling to understand the interactions between T&D systems. Although integrated T&D modeling has not yet found widespread commercial application, its potential for changing the decades-old power system modeling approaches has led to several research efforts in the last few years that tried to (i) develop algorithms and software for steady-state and dynamic modeling of power systems and (ii) demonstrate the advantages of this modeling approach compared with traditional, separated T&D system modeling. In this paper, we provide a review of integrated T&D modeling research efforts and the methods employed for steady-state and dynamic modeling of power systems. We also discuss our current research in integrated T&D modeling and the potential directions for future research. This paper should be useful for power systems researchers and industry members because it will provide them with a critical summary of current research efforts and the potential topics where research efforts are needed to further advance and demonstrate the utility of integrated T&D modeling.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

State of the Art of Molecular Visualization in Immersive Virtual Environments

Abstract Visualization plays a crucial role in molecular and structural biology. It has been successfully applied to a variety of tasks, including structural analysis and interactive drug design. While some of the challenges in this area can be overcome with more advanced visualization and interaction techniques, others are challenging primarily due to the limitations of the hardware devices used to interact with the visualized content. Consequently, visualization researchers are increasingly trying to take advantage of new technologies to facilitate the work of domain scientists. Some typical problems associated with classic 2D interfaces, such as regular desktop computers, are a lack of natural spatial understanding and interaction, and a limited field of view. These problems could be solved by immersive virtual environments and corresponding hardware, such as virtual reality head‐mounted displays. Thus, researchers are investigating the potential of immersive virtual environments in the field of molecular visualization. There is already a body of work ranging from educational approaches to protein visualization to applications for collaborative drug design. This review focuses on molecular visualization in immersive virtual environments as a whole, aiming to cover this area comprehensively. We divide the existing papers into different groups based on their application areas, and types of tasks performed. Furthermore, we also include a list of available software tools. We conclude the report with a discussion of potential future research on molecular visualization in immersive environments.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Development of POTATO for 2S Module Grading for the CMS Phase-2 Outer Tracker Upgrade

Due to the High Luminosity-Large Hadron Collider (HL-LHC) upgrade, several detectors of the Compact Muon Solenoid (CMS) will need to be replaced, specifically the new Outer Tracker (OT) that will be assembled with 13,200 silicon modules. The OT is composed of two types of modules; the PS (pixel-strip) and the 2S (strip-strip) modules. With a large influx of production of modules, extensive testing is required to ensure quality of the modules. This research introduces POTATO (Phase-II Outer Tracker Analyzer of Test Outputs), a specialized software developed in C++ to analyze, grade, and store results in a centralized database. Module data will be collected from various international production facilities. The implementation of POTATO will facilitate with selecting the best performing modules for the Outer Tracker upgrade. This research is focused on the implementation of the analysis of 2S Module results within POTATO.

Klupshas, Anna↗