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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 505 records · Page 28

Implementing One Sided Partitioned Communication in Open MPI

This report introduces partitioned communication, a new MPI 4.0 interface that enables early bird communication by overlapping communication and computation. By partitioning messages into smaller sub-messages, MPI can start partial data transfers early. Performance studies show that the RMA implementation outperforms the Persistent implementation, despite some constraints. This report details a new opt-in RMA implementation, offering a high-performance option for partitioned communication that imposes some additional limitations.

97 MATHEMATICS AND COMPUTING↗

CalTestBed - Delphire - Testing and Evaluation of Delphire Sentinel System (CRADA Final Report)

The Delphire Sentinel is a modular fire detection and communications system operating as a mobile field unit, with low voltage DC power supplied by onboard photovoltaics (PV) and batteries. The Sentinel addresses several aspects of fire detection, communications and data analysis. The Sentinel's mobility enables it to be rapidly deployed and operate independently of existing power and communications networks. The duration of independent operation depends critically on the energy consumption of the systems and performance of the onboard PV and battery. The purpose of this testing is to ascertain the power draw and energy consumption of the Delphire Sentinel prototype system under several operational states, including various data transfer packet sizes, transmission time and frequencies, and communication pathways (Wi-Fi, cellular, satellite) expected to be encountered in field deployments. It will also include procedures to test the ability of the Sentinel to operate for extended periods without loss of functionality. Based on results from energy and power measurements, and anticipated duty cycles in field deployments, we will model annual system autonomy (e.g. loss of load probability) for off-grid operation in representative locations.

47 OTHER INSTRUMENTATION↗

Software Quality Assurance for the MOOSE-Based Open-Source Multiphysics Code Cardinal - An Expanded CI Testing Suite

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing and, maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program has been initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as a safety analysis tool. These gaps have been captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents a snapshot of the verification test cases currently available for Cardinal and NekRS in their assimilation into a Continuous Integration (CI) platform. Following the CI practice permits the integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. It should be noted that the SQA program itself, including the program plans, procedures, configuration management, and testing strategies, need to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Progress Towards NQA-1 for Cardinal in FY25

Cardinal is a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and the Monte Carlo particle transport code OpenMC within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Cardinal provides high-resolution thermal-hydraulics and/or radiation transport feedback to MOOSE multiphysics simulations. Multiphysics feedback is implemented in a geometry-agnostic manner which eliminates the need for rigid one-to-one mappings. A generic data transfer implementation also allows NekRS and OpenMC to couple to any MOOSE application, enabling a broad set of multiphysics capabilities. Cardinal simulations can also leverage combinations of MPI, OpenMP, and GPU resources. Cardinal continuous development and improvement efforts have led to the software being considered as a high-fidelity design and licensing tool for key areas of nuclear reactor relevant physics, including neutron transport, fluid flow, heat transfer, and mechanical processes. The fast development and expansion of the software from a pure R&D framework towards its application in the nuclear industry and regulation require a focus on developing, enhancing,and maintaining Cardinal’s software quality through strict adherence to a Software Quality Assurance (SQA) framework and SQA program. To facilitate compliance with SQA standards, the Cardinal SQA Program was initiated during Fiscal Year 2023 (FY23). During the development of the Cardinal SQA Program, multiple gaps have been identified. These gaps are primarily related to model verification and code pedigree as they relate to the use of Cardinal as an analysis tool. These gaps were captured in a report published in 2023. A second report highlighted the progress made during Fiscal Year 2024 (FY24) and described Argonne’s effort to document and integrate software verification within Cardinal’s software development process. This report documents the progress made towards NQA-1 for Cardinal in the Fiscal Year 2025 (FY25). All cases in the expanded Continuous Integration (CI) suite of NekRS are included in this report which test the solvers and modules available in NekRS exhaustively. The NekRS tests are integrated with the Cardinal CI suite and made available in publicly accessible Github documentation. Following the CI practice permits integrating of source code changes frequently and ensuring that the integrated codebase clears the verification testing for the software. Also in this report is a brief overview of the development of the Cardinal Software Quality Assurance Plan (SQAP) that was done in FY25, though it should be noted that the rest of the documentation for the SQA program needs to be developed in a future step of this task.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Casing Annulus Monitoring of CO 2 Injection Using Wireless Autonomous Distributed Sensor Networks

Effective and secure carbon subsurface storage, involving the deep underground injection of CO 2 into geological formations where it is permanently trapped, is paramount to mitigating CO 2 emissions (Figure I). Ensuring the integrity of these storage sites and detecting potential leakage through the casing annulus necessitates robust monitoring. This work provides the first integrated demonstration of a wireless casing-annulus monitoring architecture that can operate in highly attenuating cement-brine environments relevant to CO 2 storage. This project focused on developing and validating a novel sensor system for integration with autonomous monitoring near the cement reservoir interface. The goal was a fully integrated Technology Readiness Level (TRL) 4/5 field validation of a distributed wireless intelligent sensor system providing real-time, direct subsurface formation measurements to enhance fluid movement monitoring in the cemented casing annulus. Achieving this objective required the development and integration of 1) wireless autonomous microsensor technology by California Institute of Technology (Caltech); 2) sensor packaging and emplacement technology by Research Triangle Institute (RTI); and 3) smart well completions using wireless active casing collars and NOV pipe by the Sandia National Lab (SNL). The collaboration with the Caltech team in this project aimed to develop millimeter-scale radio frequency identification (RFID) sensors capable of detecting CO 2 , pH, and/or methane levels. These sensors are engineered to be impervious to fluids, allowing them to be mixed with cement and installed within the casing annulus. They operate using RFID protocols at frequencies of 902–928 MHz for both power and communication. A Sandia National Laboratories’ team engaged their expertise in the development of a Smart Collar system designed for the wireless data collection from these RFID sensors embedded in the cement annulus and transmission of this information to the ground surface via IntelliPipe/IntelliServ NOV drill pipe. This is accomplished through inductive coupling at the collar, which facilitates data transfer through each segment of the pipe. Because the system cannot transmit a direct current signal to power the Smart Collar, both power and communication were implemented using alternating current and electromagnetic signals at varying frequencies. Furthermore, the developed microsensor technology had to be demonstrated and validated in comparison with reference transducer measurements in a field test site at The University of Texas at Austin (UT-Austin). Although the full sensor suite did not reach field-deployment readiness, the system-level integration achieved in this project establishes a validated pathway for future incorporation of advanced microsensors.

47 OTHER INSTRUMENTATION↗

Cloud-Based Demonstration of the Eastern Interconnection Situational Awareness Monitoring System (ESAMS)

This report describes a cloud-based implementation and field demonstration of the Eastern Interconnection Situational Awareness and Monitoring System (ESAMS). ESAMS was developed to support the detection and source localization of forced oscillations using synchrophasor measurements from tie-lines connecting areas served by different reliability coordinators (RCs), so that RCs could better coordinate their response to wide-area events. A previous effort had identified deployment barriers associated with hosting shared situational awareness tools at a single RC. To address these barriers, ESAMS was migrated to Amazon Web Services and evaluated in a six-month field demonstration. ISO New England (ISO-NE) and PJM streamed data to the platform using AWS Direct Connect and a site-to-site VPN, respectively. The resulting multi-utility measurement footprint enabled regional source localization across major portions of the U.S. Eastern Interconnection and supported routine identification of oscillation events. During the final three months of the trial, 24 events above 2 MW/MVAR were detected. The largest detected oscillation approached a 25 MW peak-to-peak amplitude, and the longest persisted intermittently for more than 11 hours. The demonstration also assessed operational considerations—including data transfer volumes, end-to-end latency, and cloud computing costs—and found that network and compute requirements were modest relative to typical cloud capabilities while providing performance comparable to prior on-premises deployments. Overall, the results indicate that cloud hosting can provide a practical path to shared interconnection-wide oscillation monitoring. The cloud ESAMS demonstration establishes a foundation for broader utility participation and for building future wide-area analytics that leverage measurements across organizational boundaries.

Follum, James D.↗

Optimizing Metadata Exchange: Leveraging DAOS for ADIOS Metadata I/O

In HPC I/O middleware like the Adaptable I/O System (ADIOS) often mediates data transfers between applications. The metadata I/O generated by such systems often presents significant scaling and performance limitations. This work seeks improvement opportunities for metadata I/O by leveraging the DAOS storage systems, a recent storage system solution deployed on high-end systems such as the Aurora supercomputer. We investigate the tradeoffs and the design space for integrating I/O engines for the ADIOS middleware based on the different storage mechanisms supported by DAOS. We present a new DAOS-Array-ChunkSize-aligned engine which provides up to 2.3× improved performance than when using the existing DAOS-POSIX interface, without requiring any application modifications.

Venkatesh, Ranjan Sarpangala↗

Defining quantum-ready primitives for hybrid HPC-QC supercomputing: a case study in Hamiltonian simulation

As computational demands in scientific applications continue to rise, hybrid high-performance computing (HPC) systems integrating classical and quantum computers (HPC-QC) are emerging as a promising approach to tackling complex computational challenges. One critical area of application is Hamiltonian simulation, a fundamental task in quantum physics and other large-scale scientific domains. This paper investigates strategies for quantum-classical integration to enhance Hamiltonian simulation within hybrid supercomputing environments. By analyzing computational primitives in HPC allocations dedicated to these tasks, we identify key components in Hamiltonian simulation workflows that stand to benefit from quantum acceleration. To this end, we systematically break down the Hamiltonian simulation process into discrete computational phases, highlighting specific primitives that could be effectively offloaded to quantum processors for improved efficiency. Our empirical findings provide insights into system integration, potential offloading techniques, and the challenges of achieving seamless quantum-classical interoperability. We assess the feasibility of quantum-ready primitives within HPC workflows and discuss key barriers such as synchronization, data transfer latency, and algorithmic adaptability. These results contribute to the ongoing development of optimized hybrid solutions, advancing the role of quantum-enhanced computing in scientific research.

97 MATHEMATICS AND COMPUTING↗

Alquimia v1.0: a generic interface to biogeochemical codes – a tool for interoperable development, prototyping and benchmarking for multiphysics simulators

Alquimia v1.0 is a generic interface to geochemical solvers that facilitates development of multiphysics simulators by enabling code coupling, prototyping and benchmarking. The interface enforces the function arguments and their types for setting up, solving, serving up output data and carrying out other common auxiliary tasks while providing a set of structures for data transfer between the multiphysics code driving the simulation and the geochemical solver. Alquimia relies on a single-cell approach that permits operator splitting coupling and parallel computation. We describe the implementation in Alquimia of two widely used open-source codes that perform geochemical calculations: PFLOTRAN and CrunchFlow. We then exemplify its use for the implementation and simulation of reactive transport in porous media by two open-source flow and transport simulators: Amanzi and ParFlow. We also demonstrate its use for the simulation of coupled processes in novel multiphysics applications including the effect of multiphase flow on reaction rates at the pore scale with OpenFOAM, the role of complex biogeochemical processes in land surface models such as the E3SM Land Model (ELM) and the impact of surface–subsurface hydrological interactions on hydrogeochemical export from watersheds with the Advanced Terrestrial Simulator (ATS). These applications make it apparent that the availability of a well-defined yet flexible interface has the potential to improve the software development workflow, freeing up resources to focus on advances in process models and mechanistic understanding of coupled problems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗