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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
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

PhytoOracle: Scalable, modular phenomics data processing pipelines

As phenomics data volume and dimensionality increase due to advancements in sensor technology, there is an urgent need to develop and implement scalable data processing pipelines. Current phenomics data processing pipelines lack modularity, extensibility, and processing distribution across sensor modalities and phenotyping platforms. To address these challenges, we developed PhytoOracle (PO), a suite of modular, scalable pipelines for processing large volumes of field phenomics RGB, thermal, PSII chlorophyll fluorescence 2D images, and 3D point clouds. PhytoOracle aims to ( i ) improve data processing efficiency; ( ii ) provide an extensible, reproducible computing framework; and ( iii ) enable data fusion of multi-modal phenomics data. PhytoOracle integrates open-source distributed computing frameworks for parallel processing on high-performance computing, cloud, and local computing environments. Each pipeline component is available as a standalone container, providing transferability, extensibility, and reproducibility. The PO pipeline extracts and associates individual plant traits across sensor modalities and collection time points, representing a unique multi-system approach to addressing the genotype-phenotype gap. To date, PO supports lettuce and sorghum phenotypic trait extraction, with a goal of widening the range of supported species in the future. At the maximum number of cores tested in this study (1,024 cores), PO processing times were: 235 minutes for 9,270 RGB images (140.7 GB), 235 minutes for 9,270 thermal images (5.4 GB), and 13 minutes for 39,678 PSII images (86.2 GB). These processing times represent end-to-end processing, from raw data to fully processed numerical phenotypic trait data. Repeatability values of 0.39-0.95 (bounding area), 0.81-0.95 (axis-aligned bounding volume), 0.79-0.94 (oriented bounding volume), 0.83-0.95 (plant height), and 0.81-0.95 (number of points) were observed in Field Scanalyzer data. We also show the ability of PO to process drone data with a repeatability of 0.55-0.95 (bounding area).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

A Backend-agnostic, Quantum-classical Framework for Simulations of Chemistry in C ++

As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important to bring this novel coprocessing capability to a diverse group of domain computational scientists. For the field of quantum chemistry, applications and frameworks exist for modeling and simulation tasks that scale on heterogeneous classical architectures, and we envision the need for similar frameworks on heterogeneous quantum-classical platforms. Furthermore, we present the XACC system-level quantum computing framework as a platform for prototyping, developing, and deploying quantum-classical software that specifically targets chemistry applications. We review the fundamental design features in XACC, with special attention to its extensibility and modularity for key quantum programming workflow interfaces and provide an overview of the interfaces most relevant to simulations of chemistry. A series of examples demonstrating some of the state-of-the-art chemistry algorithms currently implemented in XACC are presented, while also illustrating the various APIs that would enable the community to extend, modify, and devise new algorithms and applications in the realm of chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Real-time plasma monitoring framework for advanced plasma control and ML-research in DIII-D

Real-time and adaptive plasma control is crucial for robust tokamak operation, requiring sensitivity and tolerance measurements of the plasma state. This paper presents the implementation of an integrated real-time plasma monitoring framework on the DIII-D tokamak to support advanced control approaches, including machine-learning (ML) methods. The system is built on the SHIELD framework, a high-performance modular architecture that provides a unified pipeline for integrating diverse diagnostics. The framework leverages high-bandwidth digitizers, fast numerical processing, and deterministic, low-latency interconnects to stream high-fidelity data from diagnostics such as electron cyclotron emission (ECE), beam emission spectroscopy (BES), CO interferometers, and a visible tangential divertor camera (TangTV). The system’s validity is demonstrated through direct comparisons of real-time and offline data. Furthermore, we present two key applications of the developed plasma monitoring system with ML-based plasma control strategies, including real-time divertor detachment and active Alfvén Eigenmode control. As a result, this work presents a robust and scalable approach for integrating high-frequency, multidimensional diagnostics into advanced control algorithms for future fusion devices.

AI/ML↗
DOE OSTI2025

Dispatch Manager for NEML2 Constitutive Model Calculations Embedded in MOOSE

This report describes the extended capabilities of the NEML2 constitutive modeling library, including a flexible and efficient work dispatching system designed to leverage both CPU and GPU resources. This enhancement addresses one of the primary computational challenges in large-scale simulations: the ability to distribute and execute batches of material model evaluations across heterogeneous computing devices. The new dispatch system introduces a modular set of dispatcher and scheduler classes that coordinate the flow of data and execution between devices. The dispatcher is responsible for efficiently packaging work, managing device-specific memory operations, and synchronizing results. This modularity allows for extensibility, making it straightforward to integrate additional computing backends in the future. From an implementation standpoint, the dispatcher system interfaces seamlessly with NEML2's existing models. They handle device-aware tensor operations, optimize memory transfers, and support asynchronous execution when applicable. This design ensures that batches of material points can be evaluated concurrently, substantially improving throughput compared to previous single-device or serial implementations. These improvements not only enhance the raw performance of NEML2 but also improve its usability in multiscale and high-fidelity simulations, where the simultaneous evaluation of large material point batches is critical. Benchmarks included in the report demonstrate the system’s scalability, highlighting its effectiveness when leveraging modern GPU architectures.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Thermomagnetic generators for ultra-low-grade marine thermal energy harvesting

Low-grade thermal gradients in marine environments represent an underexploited energy source for autonomous sensing and monitoring. Converting such small temperature differences into usable electrical power remains a key challenge for ocean-deployed systems. We present a deployable thermomagnetic generator thoroughly characterized for marine-relevant energy harvesting. The device powers an internet-connected sensor and harvests ultra-low temperature differences akin to those at the ocean surface. It draws heat from water and rejects it to ambient air, operating optimally at a temperature difference (ΔT) of ~7.5 °C. Laboratory prototypes generated up to 6.7 mW at ΔT ~ 10 °C with gentle airflow (~1 m s -1 ). A separate controlled wave-tank demonstration validated stable operation and sensor powering under marine-like boundary conditions. Given its voltage and power margins, the generator could sustain multiple sensor nodes. Scalability and material assessments identify modular deployment and non-rare-earth alternatives as pathways toward practical marine energy harvesting and low-grade waste-heat recovery.

16 TIDAL AND WAVE POWER↗
DOE OSTI2025

Programmable exploration of magnetic states in Lieb-kagome interpolated lattices

We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. Here, the goal is to show how a quantum annealer can operate as a physically instantiated, programmable platform to emulate experimentally relevant lattice deformations and produce observables in a manner analogous to an experimental measurement, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach offers a pathway to explore and iteratively design tunable magnetic states in synthetic materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered matter across chemistry, condensed matter, and quantum information science.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

A Self-Organizing Nano Grid (SONG) for Energy Access Clusters

In this paper, a bottom-up dc Self-Organizing Nano Grid (SONG) for rural electrification at ultra-low-cost through a flexible and scalable topology is presented. The proposed nano grid requires no communication and uses dc-bus signaling to convey excess energy in the system through the bus voltage, allowing independent agents to conduct energy transactions based on their needs in a decentralized manner. Moreover, this article proposes a concept that uses a novel multi-source, multi-segment droop control strategy with demand coordination, allowing for dynamic self-balancing of the system under fluctuating operating conditions. The unique use of a surplus photovoltaic (PV) power droop mode precisely estimates energy availability to minimize load chattering that helps in stabilizing the dc-bus. In addition, this architecture uses standard dc/dc converters for a low-cost, modular, Plug and Play ( PnP ) solution with highly automated operation, enabling local assembly, operation, and maintenance by non-technical personnel. The proposed SONG concept was validated in simulation and with a 700W, laboratory-scale, custom made nano grid system. The simulation and experimental test cases show the feasibility of the SONG system by demonstrating the proposed multi-source, multi-segment droop control strategy without load chattering under varying operating conditions.

dc-dc converter↗
DOE OSTI2023

A Hierarchical Control Architecture: Utilization of Behind-the-Meter Appliances with Increased Visibility and Controllability

Optimal operations of distribution systems to enhance reliability and resiliency can be achieved if information with higher fidelity can be accessed from grid premise devices. This paper discusses a hierarchical control architecture that can introduce higher visibility and controllability by utilizing the estimated injection and absorption of different behind-the-meter controllable loads, and DERs, including EVs, within a premise. The acquired information is used to make control decisions for scheduling the premise appliances to reduce energy consumptions. The premise controller can also optimize the consumptions on a day-to-day basis in addition to taking input signals from the utility operators to support grid-service events (e.g., peak shaving). The entire control architecture is designed in a modular and scalable fashion that provides benefits to the utility from the reuse of existing infrastructure while creating opportunities for various grid services to be enabled by the operation of premise controllers.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Multiscale Ecosystem for solving Maxwell-Schrodinger equations of open quantum systems (OpenMS)

Light-matter interactions play an important role in many branches of physics, chemistry, energy, and materials science. In the strong coupling regime, light-matter interactions are able to tune the materials properties via the formation of new quasiparticles, such as plasmons and polaritons. However, theoretical and numerical modeling of the light-matter interaction-mediated processes remain a big challenge because light-matter interactions are fundamentally multiscale and multiphysics problems involving multiple interactions between electrons, nuclei, and photons at different time/length scales. In the current community, light-matter interactions were treated at different levels of theoretical complexity in quantum chemistry and quantum optics. In quantum optics or quantum photonics, the matter is usually simplified as a few-level system, and the light is treated quantum-mechanically. On the other hand, quantum chemistry explores first-principles methods, including both single-particle and many-body-based techniques, to describe the electronic properties of matter in detail. However, light is usually prescribed as a classical electromagnetic field, and the light-matter interaction is taken into account as an external potential via classical approximations. This software is designed to fill current modeling shortcomings by delivering a first-ever scalable multiscale platform for simulating light-matter interactions in realistic electromagnetic environments. The software solves Maxwell and Schrodinger equations self-consistent on the heterogeneous platforms. It implements HF/DFT, TDDFT, and coupled-cluster counterparts for light-matter interactions and adopts modular programming to offload massively parallel algorithms on a large number of CPU/GPUs.

Zhang, Yu↗
DOE OSTI2023

Exploring temporal community evolution: algorithmic approaches and parallel optimization for dynamic community detection

Abstract Dynamic (temporal) graphs are a convenient mathematical abstraction for many practical complex systems including social contacts, business transactions, and computer communications. Community discovery is an extensively used graph analysis kernel with rich literature for static graphs. However, community discovery in a dynamic setting is challenging for two specific reasons. Firstly, the notion of temporal community lacks a widely accepted formalization, and only limited work exists on understanding how communities emerge over time. Secondly, the added temporal dimension along with the sheer size of modern graph data necessitates new scalable algorithms. In this paper, we investigate how communities evolve over time based on several graph metrics under a temporal formalization. We compare six different algorithmic approaches for dynamic community detection for their quality and runtime. We identify that a vertex-centric (local) optimization method works as efficiently as the classical modularity-based methods. To its advantage, such local computation allows for the efficient design of parallel algorithms without incurring a significant parallel overhead. Based on this insight, we design a shared-memory parallel algorithm DyComPar , which demonstrates between 4 and 18 fold speed-up on a multi-core machine with 20 threads, for several real-world and synthetic graphs from different domains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Control Oriented Models for Co-Design: Technical Overview of MT HVDC, MVDC, and Solid State Transformer Building Blocks

The electric power system is shifting toward a power electronics–enabled grid, where converter based “building blocks” (e.g., high voltage direct current (HVDC) links, multi terminal HVDC (MT HVDC) networks, medium voltage DC (MVDC) links, and solid state transformers (SSTs)) provide fast, precise control of power flows, voltage, and frequency. This report develops and applies publicly shareable electromagnetic transient (EMT) and phasor models to examine how such building blocks can be composed and coordinated to support offshore wind integration, inter area transfers, feeder support, and resilience. Section 2 documents a modular multilevel converter (MMC)–based MT HVDC modeling framework and two use cases: a compact WSCC/IEEE 9 bus test system and a 240 bus “mini WECC” case with five offshore wind plants (OWFs). Phasor to EMT transfer, initialization, and sanity checks are summarized, and neutral demonstrations of normal and contingency operation are reported. Section 3 frames the problem of wind plant inertial frequency response (IFR): shaping energy release and recovery to improve nadir while avoiding aerodynamic stall; representative simulations illustrate the issues without disclosing proprietary control. Section 4 develops MVDC concepts through an IEEE 16 bus loop and an Olympic Peninsula case study that compares AC vs. MVDC corridors and shows how feeder headroom can be pooled via DC couplers. Section 5 surveys SST architectures and identifies a gap: scalable, communication free coordination of multiple SSTs for islanded feeder networks. Across the report, novel methods and configurations under separate publication and IP review are not disclosed; only topic oriented, replicable setups and non proprietary results are shown. These models and use cases are intended as foundations for future publications and co design studies on architecture, control, and coordination of PE enabled grids.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Porting hypre to heterogeneous computer architectures: Strategies and experiences

We report that linear systems are occurring in many applications, and solving them can take a large amount of the total simulation time. The high performance library hypre provides a variety of interfaces and linear solvers, including various multigrid methods, that have achieved good scalability on a variety of homogeneous parallel computer architectures. Heterogeneous architectures with nodes that have both CPUs and accelerators provide new challenges, since they require more fine-grained parallelism and reduced data movement between different memories on a single node as well as across nodes. We will discuss our experiences and strategies to port hypre to heterogeneous computers with accelerators, including the design of a new memory model, the use of abstractions, the BoxLoop macros in the structured and semi-structured interfaces, and the restructuring of algebraic multigrid (AMG) into modular components. We present numerical experiments comparing CPU and GPU performance for several test problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Modular Integrated System for Carbon-Neutral Methanol Synthesis Using Direct Air Capture and Carbon-Free Hydrogen Production

This study investigates the development and economic analysis of a modular integrated system for carbon-neutral methanol synthesis, leveraging direct air capture (DAC) and solid oxide electrolysis cells (SOEC) for carbon dioxide and hydrogen production, respectively. The proposed system integrates a novel building-based DAC process, functionalized solid sorbents, and low-energy SOEC technology, aiming to minimize operational and capital costs. A comparison between the base case system (1,000 t methanol/year) and a scaled-up model (14,758 t methanol/year) reveals significant improvements in efficiency and economic feasibility. The scaled-up system achieves a levelized cost of methanol (LCOM) of $740/t, a 7.5% reduction compared to that of conventional DAC-based systems, while utilizing existing building HVAC infrastructure for air handling. Detailed sensitivity analyses were conducted, evaluating the effects of plant capacity and air flow rate on the LCOM, demonstrating the scalability of the building-based DAC system. The cradle-to-gate life cycle analysis shows that the proposed process using renewable-sourced electricity achieves a 38% reduction in greenhouse gas (GHG) emission compared to reported values of green methanol production technologies that use a conventional DAC and a conventional methanol synthesis catalyst. When fossil-sourced electricity is used in the proposed process, it leads to about a 37.5% reduction in GHG emission in comparison to reported values for conventional methanol production technologies using steam methane reforming technology and fossil-sourced electricity.

alcohols↗
DOE OSTI2024

A Framework to Demonstrate a DNP3 Interface With a CIM-Based Data Integration Platform: Preprint

The contemporary electrical grid is characterized by its complexity and abundance of data. A control-rich environment supported by information and communication technologies within an Advanced Distribution Management System (ADMS) presents a viable and cost-effective option for utility companies aiming to implement advanced real-time analytical schemes for monitoring and remotely controlling distribution feeders. Modular platform-based approaches to distribution operations require a structured framework for acquiring field device measurements, performing analytics, converting the setpoint to the correct protocol, and sending it on the appropriate communications network to the field devices. We present the development and deployment of an application service to integrate an open-source standardsbased platform with an ADMS test bed with field devices using the Distributed Network Protocol (DNP3) for data exchange. The step-by-step procedure for establishing the DNP3-Master service on an open-source distribution platform is outlined, comprehensively explaining the Master setup process. Moreover, sample use case results highlight the capabilities of the DNP3- Master service setup. Results demonstrate the scalability and configurability of the DNP3-Master service, making it adaptable for integration with other relevant applications, thus providing potential opportunities for real-world field trials and real-time assessments.

ADMS↗
DOE OSTI2023

Biocatalytic Membranes for Carbon Capture and Utilization

Innovative carbon capture technologies that capture CO 2 from large point sources and directly from air are urgently needed to combat the climate crisis. Likewise, corresponding technologies are needed to convert this captured CO 2 into valuable chemical feedstocks and products that replace current fossil-based materials to close the loop in creating viable pathways for a renewable economy. Biocatalytic membranes that combine high reaction rates and enzyme selectivity with modularity, scalability, and membrane compactness show promise for both CO 2 capture and utilization. This review presents a systematic examination of technologies under development for CO 2 capture and utilization that employ both enzymes and membranes. CO 2 capture membranes are categorized by their mode of action as CO 2 separation membranes, including mixed matrix membranes (MMM) and liquid membranes (LM), or as CO 2 gas–liquid membrane contactors (GLMC). Because they selectively catalyze molecular reactions involving CO 2 , the two main classes of enzymes used for enhancing membrane function are carbonic anhydrase (CA) and formate dehydrogenase (FDH). Small organic molecules designed to mimic CA enzyme active sites are also being developed. CO 2 conversion membranes are described according to membrane functionality, the location of enzymes relative to the membrane, which includes different immobilization strategies, and regeneration methods for cofactors. Parameters crucial for the performance of these hybrid systems are discussed with tabulated examples. Progress and challenges are discussed, and perspectives on future research directions are provided.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Mapping the Gap: Analysis of Nuclear Cybersecurity Education in U.S. Universities

The U.S. nuclear sector is undergoing rapid transformation, driven by the expansion of advanced reactors, digital modernization of legacy systems, and increasing interest in nuclear energy to meet AI-fueled energy demands. However, the cybersecurity talent pipeline is not keeping pace with this growth. This paper investigates the significant gap in nuclear cybersecurity education and proposes scalable strategies for colleges to address this critical need by promoting it as a viable and essential career path. Through a multi-institutional landscape analysis of 16 cybersecurity and 12 nuclear engineering programs, we found that nuclear cybersecurity is largely absent from university curricula. Most students are unaware of the field’s existence, and few institutions offer hands-on training or interdisciplinary exposure. This lack of awareness leads to a shortage of specialized talent, forcing nuclear facilities to retrain generalist hires or rely on costly external consultants. We present a framework for early pipeline cultivation grounded in Social Cognitive Career Theory and workforce development principles. Proposed solutions include student-led clubs, guest lectures, modular classroom kits, and summer boot camps. By increasing visibility and access to nuclear cyber content, we aim to break the self-reinforcing cycle of low awareness and limited specialization. This work underscores the critical role of education and advocacy in cultivating early interest and guiding students toward this emerging field. We call on academic institutions, national laboratories, and industry stakeholders to collaborate in establishing nuclear cybersecurity as a distinct and accessible career path within the broader cybersecurity and nuclear engineering ecosystems.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

A semantics-driven framework to enable demand flexibility control applications in real buildings

Decarbonising and digitalising the energy sector requires scalable and interoperable Demand Flexibility (DF) applications. Semantic models are promising technologies for achieving these goals, but existing studies focused on DF applications exhibit limitations. These include dependence on bespoke ontologies, lack of computational methods to generate semantic models, ineffective temporal data management and absence of platforms that use these models to easily develop, configure and deploy controls in real buildings. This paper introduces a semantics-driven framework to enable DF control applications in real buildings. The framework supports the generation of semantic models that adhere to Brick and SAREF while using metadata from Building Information Models (BIM) and Building Automation Systems (BAS). The work also introduces a web platform that leverages these models and an actor and microservices architecture to streamline the development, configuration and deployment of DF controls. The paper demonstrates the framework through a case study, illustrating its ability to integrate diverse data sources, execute DF actuation in a real building, and promote modularity for easy reuse, extension, and customisation of applications. The paper also discusses the alignment between Brick and SAREF, the value of leveraging BIM data sources, and the framework's benefits over existing approaches, demonstrating a 75% reduction in effort for developing, configuring, and deploying building controls.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Design and performance of a 35-ton liquid argon time projection chamber as a prototype for future very large detectors

Liquid argon time projection chamber technology is an attractive choice for large neutrino detectors, as it provides a high-resolution active target and it is expected to be scalable to very large masses. Consequently, it has been chosen as the technology for the first module of the DUNE far detector. However, the fiducial mass required for “far detectors” of the next generation of neutrino oscillation experiments far exceeds what has been demonstrated so far. Scaling to this larger mass, as well as the requirement for underground construction places a number of additional constraints on the design. A prototype 35-ton cryostat was built at Fermi National Acccelerator Laboratory to test the functionality of the components foreseen to be used in a very large far detector. The Phase I run, completed in early 2014, demonstrated that liquid argon could be maintained at sufficient purity in a membrane cryostat. A time projection chamber was installed for the Phase II run, which collected data in February and March of 2016. The Phase II run was a test of the modular anode plane assemblies with wrapped wires, cold readout electronics, and integrated photon detection systems. While the details of the design do not match exactly those chosen for the DUNE far detector, the 35-ton TPC prototype is a demonstration of the functionality of the basic components. Measurements are performed using the Phase II data to extract signal and noise characteristics and to align the detector components. A measurement of the electron lifetime is presented, and a novel technique for measuring a track's position based on pulse properties is described.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗