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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

GASP: Gradient-Aware Shortest Path Algorithm for Boundary-Confined 2-Manifold Reeb Graph Visualization

Reeb graphs are an important tool for abstracting and representing the topological structure of a function defined on a manifold. We have identified three properties for faithfully representing Reeb graphs in a visualization: they should be constrained to the boundary, compact, and aligned with the function gradient. Existing algorithms for drawing Reeb graphs are agnostic to or violate these properties. In this paper, we introduce an algorithm to generate Reeb graph visualizations, called GASP, that is cognizant of these properties, thereby producing visualizations that are more representative of the underlying data. To demonstrate the improvements, the resulting Reeb graphs are evaluated both qualitatively and quantitatively against the geometric barycenter algorithm, using its implementation available in the Topology ToolKit (TTK), a widely adopted tool for calculating and visualizing Reeb graphs.

Rahman, Sefat [University of Utah]↗
DOE OSTI2020

A fivefold UO$_2^{2+}$ node is a path to dodecagonal quasicrystal approximants in coordination polymers [plus supplemental information]

Aperiodic formations continue to focus interest in areas ranging from advanced scientific theories to practical everyday applications. Starting from diverse and tightly bonded intermetallic compounds, this world showed an important breakthrough toward the so-called soft systems of meso/macroscale: liquid crystals, thin films, polymers, proteins, etc. This work opens a route for making bulk quasicrystals (QC) in an unprecedented but very common area, with molecular ligands. Since these systems are, to a large extent, transparent, they extend the possible areas of QC application to previously unreachable corners, e.g., photonics. We combined efficient bridging ligands with uranyl pentagonal bonding centers and, unexpectedly, brought the unique attributes of f-element coordination chemistry to an interdisciplinary area of aperiodic formations. Taking advantage of the planar coordination of uranyl ions, we were able to direct the structure expansion solely in two directions with a characteristic snub square tiling, a predicted but previously unobtainable dodecagonal approximant.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Revealing the Reaction Path of UVC Bond Rupture in Cyclic Disulfides with Ultrafast X-ray Scattering

Disulfide bonds are ubiquitous molecular motifs that influence the tertiary structure and biological functions of many proteins. Yet it is well known that the disulfide bond is photolabile when exposed to UVC radiation. The deep-UV induced S-S bond fragmentation kinetics on very fast time scales are especially pivotal to fully understand the photostability and photodamage repair mechanisms in proteins. In 1,2-dithiane, the smallest saturated cyclic molecule that mimics biologically active species with S-S bonds, we investigate the photochemistry upon 200 nm excitation by femtosecond time-resolved X-ray scattering in the gas phase using an X-ray free electron laser. In the femtosecond time domain, we discover a very fast reaction that generates molecular fragments with one and two sulfur atoms. On picosecond and nanosecond timescales, a complex network of reactions unfolds that, ultimately, completes the sulfur dissociation from the parent molecule.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

A chemical path to quantum information

The second quantum revolution is rapidly transforming fields like structural biology, cryptography, and condensed matter physics. The qubit is the core quantum unit, which has an infinite number of possible configurations through the superposition of its quantum states. This quantum property provides a unique approach for solving problems in computing, sensing, and metrology. Creating and manipulating qubits is a grand challenge, leading to a plethora of viable approaches. Spinbased molecular qubits are promising because they unify atomic scale spatial precision with structural customization for systems integration. Lombardi et al. exemplify this approach by constructing an electronic spin-based molecular qubit from a carefully engineered state in nanoscale graphene, providing an elegant example of atomic control over qubit design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Patterns of Gene Content and Co-occurrence Constrain the Evolutionary Path toward Animal Association in Candidate Phyla Radiation Bacteria

Studying the genetic differences between related microorganisms from different environment types can indicate factors associated with their movement among habitats. This is particularly interesting for bacteria from the Candidate Phyla Radiation because their minimal metabolic capabilities require associations with microbial hosts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Superbeams and neutrino factories — Two paths to intense accelerator-based neutrino beams

High-energy and high-beam power accelerators are extensively used for the neutrino physics research. At present, the leading operational facilities are the J-PARC facility in Japan, which recently approached 0.5 MW of the 30 GeV proton beam power, and the Fermilab Main Injector complex that delivers over 0.75 MW of 120 GeV protons on the neutrino target. Besides such type of neutrino superbeams, the concept of neutrino factories offers great promise for particle physics research. In this brief review we present the status and planned upgrades of the J-PARC and Fermilab accelerators and leading proposals for the next generation accelerator-based facilities of both types, their challenges and required and ongoing accelerator R&D programs aimed to address corresponding performance and cost risks.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

MFIX-Exa: A path toward exascale CFD-DEM simulations

MFIX-Exa is a computational fluid dynamics–discrete element model (CFD-DEM) code designed to run efficiently on current and next-generation supercomputing architectures. MFIX-Exa combines the CFD-DEM expertise embodied in the MFIX code—which was developed at NETL and is used widely in academia and industry—with the modern software framework, AMReX, developed at LBNL. The fundamental physics models follow those of the original MFIX, but the combination of new algorithmic approaches and a new software infrastructure will enable MFIX-Exa to leverage future exascale machines to optimize the modeling and design of multiphase chemical reactors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Data for Robust Paths to Net Greenhouse Gas Mitigation and Negative Emissions via Advanced Biofuels

This zip file contains a UNIX-format DayCent model executable, input files, automation code, and associated directory structure necessary to re-produce the DayCent analysis underlying the manuscript. The main script “autodaycent.py” (written for Python 2.7) opens an interactive command line routine that facilitates: Calibrating the DayCent pine growth model; Initializing DayCent for a set of case studies sites; Executing an ensemble of model runs representing case study site reforestation, grassland restoration, or conversion to switchgrass cultivation; and Results analysis & generation of manuscript Fig. 3. Note that the interactive analysis code requires that all input files to be contained in the directory structure as uploaded, without modification. Executable versions of the DayCent model compatible with other operating systems are available upon request.

Feedstock Production↗
DOE OSTI2025

Accelerating Control Systems with GitOps: A Path to Automation and Reliability

GitOps is a foundational approach for modernizing infrastructure by leveraging Git as the single source of truth for declarative configurations. The poster explores how GitOps transforms traditional control system infrastructure, services and applications by enabling fully automated, auditable, and version-controlled infrastructure management. Cloud-native and containerized environments are shifting the ecosystem not only in the IT industry but also within the computational science field, as is the case of CERN and Diamond Light Source among other Accelerator/Science facilities which are slowly shifting towards modern software and infrastructure paradigms. The ACORN project, which aims to modernize Fermilab’s control system infrastructure and software is implementing proven best-practices and cutting-edge technology standards including GitOps, containerization, infrastructure as code and modern data pipelines for control system data acquisition and the inclusion of AI/ML in our accelerator complex.

Gonzalez, M. [Fermilab]↗
DOE OSTI2019

On the Path to Energy Independence and a Clean Power Future – LED Lighting Retrofit and Solar Power Generation for the CTUIR Science and Engineering Laboratory and Public Transit Center (Rev.1)

This project supports the goals of the Energy Policy for the Confederated Tribes of the Umatilla Indian Reservation (CTUIR) through the implementation of an energy efficiency measure (LED lighting retrofit) and construction of a fixed rack (stationary) ground-mounted solar photovoltaic (PV) array energy generation system. The project objective was to eliminate the net demand for grid-based utility energy at two tribal facilities: the CTUIR Field Station and the Public Transit Center (consisting of bus barn and maintenance shop buildings). A total of 332 lighting fixtures were retrofitted with high efficiency LEDs at the three buildings within the project scope. The solar PV array constructed adjacent to the Field Station (46330 Timine Way, Pendleton, OR 97801) has a nameplate capacity of 97.98 kW DC . The project was managed by staff from the CTUIR Energy & Environmental Sciences Program within the Department of Natural Resources and the final budget was $\$ $288,206. Data was collected during a 12 month monitoring period following construction of the aptly named Ántukš–Tín̓qapapt Solar PV Array and assessed to determine project results. During this time, the solar PV system generated 125,580 kWh of energy according to SolrenView solar PV system monitoring service. In contrast, the total realized utility energy and cost savings due to the project were estimated by comparing 24 months of consecutive utility billing data. Results of this comparison indicate that grid-based utility energy demand was reduced by 121,280 kWh, or roughly 80% of the total electricity consumed by both facilities. The cost savings associated with this energy demand reduction were $\$ $11,104 and a payback period of 5.7 years was estimated for recovering the CTUIR’s investment. However, it should be noted that these figures are not representative of the savings that could be obtained under normal, error-free (i.e. faultless) conditions. Several undesirable events occurred during the 12 month monitoring and evaluation period, the effects of which were quantified using available data so that results under a “Faultless Scenario” could be estimated. Annual energy and cost savings estimated for the Faultless Scenario were approximately 166,289 kWh and $\$ $15,225, respectively. These figures should prove to be more representative of the long-term average annual results achieved in response to the project and suggest a payback period closer to 4.5 years for the CTUIR.

14 SOLAR ENERGY↗
DOE OSTI2020

Energy Paths for the Yurok People

This Yurok Tribe energy strategic planning study examined electricity usage, costs and infrastructure, as well as electricity needs on the Reservation. It also assessed the Tribe’s energy resources. Equipped with this information, the project team conducted an energy options analysis that examined different project opportunities and identified key projects that are both feasible to implement and will help the Tribe reach its stated Energy Vision. A key finding of the energy needs assessment is that there are still numerous households that are without grid electric power, and it is likely that most of them will remain disconnected from the grid because of their remoteness. To provide these community members with reliable, affordable, modern energy services their homes will need to be electrified via a robust off-grid energy services program that installs and maintains off-grid energy systems. This is the key need that is explored and addressed in this plan. The approach taken is to establish a new business entity, a Tribal Energy Authority or Utility, that will operate a Tribal Energy Program. The Energy Strategic Plan identifies a number of potential funding sources that could be used to support both the On-grid and Off-grid Energy Programs. This plan also promotes continued efforts to reduce electricity consumption through the implementation of energy efficiency measures in existing facilities and the enforcement of a strong energy-efficient building code for all new construction on the Reservation. Finally, the plan promotes added resilience at critical Tribal facilities on the Reservation by recommending that battery energy storage systems and microgrid controls be coupled with rooftop solar PV systems to create cutting edge microgrid facilities that can provide critical power services to Tribal facilities when the main electric grid is shutdown.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Energy Paths for the Yurok People

The Yurok Tribe has been working for more than two decades to bring adequate, cost-effective energy services to their Tribal members. With the completion of the electric line extension to Wautec, they are well on their way to an effective and sustainable energy future. However, there is still much work to be done; many Tribal households in the Upper Reservation are still without reliable, affordable electric power. Now the Tribe needs to determine the next steps to realize their energy vision. This Yurok Tribe energy strategic planning study examined electricity usage, costs and infrastructure, as well as electricity needs on the Reservation. It also assessed the Tribe’s energy resources. Equipped with this information, the project team conducted an energy options analysis that examined different project opportunities and identified key projects that are both feasible to implement and will help the Tribe reach its stated Energy Vision. There are still numerous households in the Upper Reservation and adjacent lands that are without grid electric power, and it is likely that most of them will remain disconnected from the grid because of their remoteness. To provide these community members with reliable, affordable, modern energy services their homes will need to be electrified via a robust off-grid energy services program that installs and maintains off-grid energy systems. This is the key need that is explored and addressed in this plan.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Simulating Distributed Energy Resource Responses to Transmission System-Level Faults Considering IEEE 1547 Performance Categories on Three Major WECC Transmission Paths

This study performs a large quantity of transmission and distribution simulations for three regions in the Western Interconnection along with final transmission simulations informed by distribution simulation results. Results find that the type of ride-through implemented by distributed energy resources (DERs) is a significant factor to the overall power system response to transmission-level faults. This impact is particularly high for transmission-level faults that depress voltage levels for high numbers of substations (i.e., for cases that experience large regional voltage sags). Because of the programmed nature of the ride-through of IEEE 1547-compliant DERs, the potential for large reductions in real power injection is possible based on IEEE 1547 interpretation and specific implementation. In this study, we made a first attempt to determine the quantity of DERs affected by a variety of transmission-level faults as well as a granular response of distribution-simulated DERs to a few types of IEEE 1547-2003 interpretations and IEEE 1547-2018 voltage ride-through categories. The distribution-informed transmission studies show that the category of IEEE 1547 adherence, particularly with the new 2018 standard, can have a significant impact on the amount of DER-based generation lost following transmission-level fault events.

24 POWER TRANSMISSION AND DISTRIBUTION↗