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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Site-selective correlations in interacting flat-band quasicrystals

Model lattices such as the kagome and Lieb lattices have been widely investigated to elucidate the properties of interacting flat-band systems. While a quasicrystal does not have proper bands, the noninteracting density of states of several of them displays the typical signature of a flat band pinned at the Fermi level: a delta-function zero-energy peak. Here, we employ quantum Monte Carlo simulations to determine the effect of onsite repulsion on these quasicrystals. While global properties such as the antiferromagnetic structure factor and the specific heat behave similarly as in the case of periodic lattices undergoing a Mott transition, the behavior of the local density of states depends on the coordination number of the site. In particular, sites with the smallest coordination number, which give the dominant spectral-weight contribution to the zero-energy peak, are the ones most strongly impacted by the interaction. Besides establishing site-selective correlations in quasicrystals, our work also points to the importance of the real-space structure of flat bands in interacting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

CERES : a cryo-EM re-refinement system for continuous improvement of deposited models

The field of electron cryomicroscopy (cryo-EM) has advanced quickly in recent years as the result of numerous technological and methodological developments. This has led to an increase in the number of atomic structures determined using this method. Recently, several tools for the analysis of cryo-EM data and models have been developed within the Phenix software package, such as phenix.real_space_refine for the refinement of atomic models against real-space maps. Also, new validation metrics have been developed for low-resolution cryo-EM models. To understand the quality of deposited cryo-EM structures and how they might be improved, models deposited in the Protein Data Bank that have map resolutions of better than 5 Å were automatically re-refined using current versions of Phenix tools. The results are available on a publicly accessible web page (https://cci.lbl.gov/ceres). The implementation of a Cryo-EM Re-refinement System ( CERES ) for the improvement of models deposited in the wwPDB, and the results of the re-refinements, are described. Based on these results, contents are proposed for a `cryo-EM Table 1', which summarizes experimental details and validation metrics in a similar way to `Table 1' in crystallography. The consistent use of robust metrics for the evaluation of cryo-EM models and data should accompany every structure deposition and be reported in scientific publications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

G-Mapper: Learning a Cover in the Mapper Construction

The Mapper algorithm is a visualization technique in topological data analysis (TDA) that outputs a graph reflecting the structure of a given dataset. However, the Mapper algorithm requires tuning several parameters in order to generate a “nice” Mapper graph. This paper focuses on selecting the cover parameter. We present an algorithm that optimizes the cover of a Mapper graph by splitting a cover repeatedly according to a statistical test for normality. Our algorithm is based on G-means clustering, which searches for the optimal number of clusters in 𝑘-means by iteratively applying the Anderson–Darling test. Our splitting procedure employs a Gaussian mixture model to carefully choose the cover according to the distribution of the given data. In conclusion, experiments for synthetic and real-world datasets demonstrate that our algorithm generates covers so that the Mapper graphs retain the essence of the datasets, while also running significantly faster than a previous iterative method.

G-means clustering↗
DOE OSTI2022

Simulation, Challenge Testing and Validation of Solutions for Residential and Commercial Occupancy Sensing/Counting and CO2 Sensing (Final Report)

Carbon dioxide sensors used for monitoring and control applications in buildings are known to be sensitive to long term drift and can be affected by variations in temperature, humidity, other gas interferents, pressure and other factors that cannot be corrected through the typical auto-calibration methods often embedded in the sensor electronics. This investigation was part of the Category D defined in the ARPA-E Saving Energy Nationwide in Structures With Occupancy Recognition (SENSOR) Financial Assistance Funding Opportunity Announcement No. DE-FOA-0001737, FFDA No. 81.135, January 18, 2017. The FOA defined target criteria for the evaluation of the Category C commercial CO2 sensors selected for review and development through the ARPA-E SENSOR program and charged the Iowa State Category D team with developing an evaluation methodology for Category C sensors in accordance with these criteria. As part of the work, the Iowa State team chose to engage the standards community in the development of the evaluation methodology. Standard development work in the D22.05 Indoor Air and D22.03 Ambient Atmospheres and Source Emissions subcommittees of ASTM International Committee D22 on Air Quality on the evaluation of low cost sensors and provision of guidance for using indoor carbon dioxide concentrations to evaluate indoor air quality and ventilation is of particular relevance to the Category D efforts. To date, three draft standards with specific input by the Iowa State Category D team have passed the subcommittee balloting stage and are being balloted in December 2022 and January 2023 in the main D22 committee. In addition to the aforementioned standards to which the PI was a contributing author, intellectual property developed in this project pertaining to “An Automated System for Evaluation of the Long Term Performance of Carbon Dioxide Sensors” and “An Automated Ground Truth System for Real-Time Reliability Assessment, Capture of Control Decisions and Energy Savings Measurements for Occupancy Recognition Systems and Other Applications” are the other major deliverables of the project. These standards and the developed intellectual property are expected to benefit the public in a number of ways stemming from their provision of means to benchmark the performance of carbon dioxide and other sensor systems. In particular, there is high interest in techniques to demonstrate the performance of low-cost carbon dioxide sensors which can be used for typical HVAC applications (e.g., demand controlled ventilation, outdoor and indoor air monitoring, estimation of occupancy, etc.).

42 ENGINEERING↗
DOE OSTI2023

Comparison of Supervised and Un-Supervised Machine Learning Algorithms for Threat Detection and Scintillator Performance for Radiation Portal Monitoring

Following the events of September 11, 2001, international border crossing have been equipped with radiation portal monitors (RPMs) to identify illicit radioactive material. Polyvinyl toluene (PVT) scintillators are commonly used due to their low cost and reasonable maintainability, however they offer low spectral resolution. Despite the fact that over twenty years has transpired since this event, radioisotopes are still typically identified by hand-crafted classification algorithms, e.g., total counts or energy windowing, and exhibit relatively poor performance in detecting threats at the low false alarm rates required to support the stream of commerce. While some improvement to performance has been realized via the use of supervised machine learning, these classification algorithms typically utilize simulations in lieu of real data due to the sparsity of data for one or more classes. Accordingly, the performance of these algorithms is somewhat less than optimal when examining experiments or simulations with model mismatch. Consequently, in this work, we examine the application of a number of unsupervised machine learning, anomaly detection based algorithms, to circumvent the inverse crime when analyzing spectroscopy data for RPMs. We also compare anomaly detection results with those obtained via the use of supervised classification detection ML algorithms when model mismatch is introduced between the simulated threat items utilized for training/testing. Finally, we compared the performance of the PVT scintillators to those obtained with higher resolution detectors using both anomaly detection and supervised classification algorithms.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Characterization of Real-World and Accelerated Exposed PV Module Backsheet Degradation

Backsheet degradation is key to maintaining the lifetime of photovoltaic (PV) modules. Cracking, delamination, bubbling, and discoloration are main types of degradation. PV modules were collected from PV installations in multiple climatic zones. Multiple types of backsheets were obtained with poly(ethylene teraphlate) (PET) and polyamide air side layers being the largest number of backsheets retrieved. Multiple commercial PV backsheets were exposed to multiple accelerated exposures and key degradation mechanisms were identified. Polyamide backsheets showed cracking in retrieved modules and under accelerated exposures. Poly(vinylidene fluoride) (PVDF) and poly(vinyl fluoride) (PVF) showed the highest stability in retrieved and accelerated exposures. While polyamide had the largest amount of large scale degradation.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2022

Quantum computing and preconditioners for hydrological linear systems

Modeling hydrological fracture networks is a hallmark challenge in computational earth sciences. Accurately predicting critical features of fracture systems, e.g. percolation, can require solving large linear systems far beyond current or future high performance capabilities. Quantum computers can theoretically bypass the memory and speed constraints faced by classical approaches, however several technical issues must first be addressed. Chief amongst these difficulties is that such systems are often ill-conditioned, i.e. small changes in the system can produce large changes in the solution, which can slow down the performance of linear solving algorithms. We test several existing quantum techniques to improve the condition number, but find they are insufficient. We then introduce the inverse Laplacian preconditioner, which improves the scaling of the condition number of the system from O(N) to O($\sqrt{N}$) and admits a quantum implementation. These results are a critical first step in developing a quantum solver for fracture systems, both advancing the state of hydrological modeling and providing a novel real-world application for quantum linear systems algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Quantum model learning agent: characterisation of quantum systems through machine learning

Accurate models of real quantum systems are important for investigating their behaviour, yet are difficult to distil empirically. Here, we report an algorithm—the quantum model learning agent (QMLA)—to reverse engineer Hamiltonian descriptions of a target system. We test the performance of QMLA on a number of simulated experiments, demonstrating several mechanisms for the design of candidate Hamiltonian models and simultaneously entertaining numerous hypotheses about the nature of the physical interactions governing the system under study. QMLA is shown to identify the true model in the majority of instances, when provided with limited a priori information, and control of the experimental setup. Our protocol can explore Ising, Heisenberg and Hubbard families of models in parallel, reliably identifying the family which best describes the system dynamics. We demonstrate QMLA operating on large model spaces by incorporating a genetic algorithm to formulate new hypothetical models. The selection of models whose features propagate to the next generation is based upon an objective function inspired by the Elo rating scheme, typically used to rate competitors in games such as chess and football. In all instances, our protocol finds models that exhibit F 1 score ≥ 0.88 when compared with the true model, and it precisely identifies the true model in 72% of cases, whilst exploring a space of over 250 000 potential models. By testing which interactions actually occur in the target system, QMLA is a viable tool for both the exploration of fundamental physics and the characterisation and calibration of quantum devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Tools for unbinned unfolding

Machine learning has enabled differential cross section measurements that are not discretized. Going beyond the traditional histogram-based paradigm, these unbinned unfolding methods are rapidly being integrated into experimental workflows. Here, in order to enable widespread adaptation and standardization, we develop methods, benchmarks, and software for unbinned unfolding. For methodology, we demonstrate the utility of boosted decision trees for unfolding with a relatively small number of high-level features. This complements state-of-the-art deep learning models capable of unfolding the full phase space. To benchmark unbinned unfolding methods, we develop an extension of existing dataset to include acceptance effects, a necessary challenge for real measurements. Additionally, we directly compare binned and unbinned methods using discretized inputs for the latter in order to control for the binning itself. Lastly, we have assembled two software packages for the OmniFold unbinned unfolding method that should serve as the starting point for any future analyses using this technique. One package is based on the widely-used RooUnfold framework and the other is a standalone package available through the Python Package Index (PyPI).

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Irrigation Modernization Task 4: Accelerating Energy Solutions (FY2022 Final Report)

This report offers insights on energy solutions for irrigation modernization that serve the needs of farmers as well as residents and industry in the local community. Solutions are found in the irrigation districts where local generation from renewable energy sources – solar, hydro, and wind – can be combined with energy storage and customer loads. These combined resources configured in microgrids can lower costs during peak loads and provide resiliency by maintaining electricity supply during outages. The goal of this project, as stated in the FY2022 AOP, is to promote realization of energy solutions that are tailored to physical location, community, infrastructure, and energy value streams. Further, it is to develop examples of how to increase value of, and overcome barriers to, energy solutions in the context of irrigation modernization. In pursuit of that goal, the project looked at options for: 1) Reducing the cost of energy consumed in irrigation systems, 2) Increasing the revenue from surplus power generation, and 3) Deploying new power generation configured as part of a local microgrid. Potential solutions to reducing energy costs and increasing surplus power revenue revolve around addressing regulatory and legal constraints tied to how power is purchased by and sold to the irrigator or irrigation district. Some headway was made in identifying barriers and ways to push utilities to be more accommodating to distributed energy sources; however, for the most part, real progress hinges on changes at the regulatory and legislative level. Deployment of local, renewable generation systems can be implemented provided the economics of the project and the location are favorable. In concert with Famers Conservation Alliance and Energy Trust of Oregon, a number of approaches were studied in the past year, including off-grid solar powered pumps, grid-tied community solar projects, and in-conduit canal hydropower systems. Ultimately three viable projects were identified: 1) North Unit Irrigation District/City of Redmond, Oregon Critical Facility Microgrid – offers combined in-conduit hydro and solar power generation. 2) Wallowa County/Joseph, Oregon Irrigation System Upgrades – centered on upgrades to a non-powered dam that will add a turbine as well as in-conduit power in canal feeders downstream. 3) Medford, Oregon Wastewater Treatment Plant Biogas Cogeneration System – centered on building out biogas storage and grid upgrades to power the plant, sell excess power, and provide emergency backup power (supplanting a diesel generator). Each of these projects has characteristics that broaden the understanding of the value of microgrids employing renewable energy to achieve resiliency and net-zero carbon goals. The first two projects are centered on new hydropower systems. Although the Medford project is only tangentially tied to an irrigation district, it was selected for study analysis as it was the only one mature enough (with sufficient data) to complete an analysis within this project year. Thus, we chose to move forward developing a case study, in concert with the Community Water-Power Resilience project, to demonstrate a method for evaluating such projects. Essentially, this case study serves as a template for studies to be carried out next year that more directly involve irrigation system hydropower, e.g., the project at the Wallowa County/Joseph, Oregon Irrigation System. Lastly, it is recognized that the locations and case studies in this report are all located in Oregon. We recognize this as a limitation. While the intent is not to ignore other states or regions, this result is driven by the fact that we have cultivated a collaboration with non-profit entities in Oregon that focus on these topics – Farmers Conservation Alliance and Energy Trust of Oregon. These partners were central to identifying projects that may be good fits for this program. A goal in the coming year is to establish collaboration with entities in other states/regions that, similarly, can connect us to potential projects in their geographic area. The potential benefits from the WPTO’s support for demonstration projects as energy solutions in irrigation districts include: (1) Alternative power supplies for communities and farms using renewable, carbon-free energy resources, (2) Cost savings for electricity for communities and farms, (3) Resiliency of power supplies for critical loads when electricity from the grid is not available, (4) Resiliency of power supplies for critical infrastructure in the event of catastrophic events, and (5) Demonstration of irrigation modernization projects that provide resilience and a reduced carbon footprint to irrigation districts and nearby communities. These deployments can serve as vanguards/archetypes spurring similar projects in other districts and states.

13 HYDRO ENERGY↗
DOE OSTI2026

Integrated Transmission-Distribution Multi-Period Switching for Wildfire Risk Mitigation: Improving Speed and Scalability with Distributed Optimization: Preprint

With increasingly severe wildfire conditions driven by climate change, utilities must manage the risk of wildfire ignitions from electric power lines. During "public safety power shutoff'" events, utilities de-energize power lines to reduce wildfire ignition risk, which may result in load shedding. Distributed energy resources provide flexibility that can help support the system to reduce load shedding when lines are de-energized. We investigate a coordinated transmission-distribution optimization problem that balances wildfire risk mitigation and load shedding. We model distribution systems that include battery energy storage systems which may support loads when transmission lines are de-energized. This multi-period integrated transmission-distribution optimal switching problem jointly optimizes line switching decisions, the generators' setpoints, load shedding, and the batteries' states of charge, resulting in significant computational challenges. To improve scalability, we decompose the problem over both space and time and apply a distributed optimization algorithm. Using a large-scale synthetic California test case with realistic distribution models and real wildfire risk data, we show that distributed optimization can solve large-scale multi-period switching problems that are otherwise intractable for centralized solvers. We also discuss challenges and future directions for improving the distributed algorithm's convergence performance as the number of time periods increases.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Validation of Pronghorn for Natural-Circulation Molten Salt Loops

This paper presents the development and validation of a high-fidelity thermal-hydraulic model of a molten salt natural circulation flow loop, designed for integration within a digital twin framework. The study evaluates the performance of Idaho National Laboratory’s Pronghorn against experimental data from Texas A&M University Molten Salt Flow Loop (MSFL) four Hitec-salt test benchmark data. Natural circulation of high-Prandtl-number fluids exhibits complex, counter-intuitive flow patterns that make pointwise thermocouple readings unreliable. Experimental work at TAMU’s MSFL provides benchmark data, including flow visualization at a test-section and centerline steady-state temperature measurements along the loop. Validation includes four single-phase natural circulation test cases with Hitec salt. Key metrics include flow profile agreement and steady-state temperature accuracy. Pronghorn results for two-dimensional single-phase agree qualitatively with the experimental flow profile. This paper illustrates the importance of Computational Fluid Dynamics (CFD) in elucidating the behavior of high-Prandtl-number thermal-hydraulics, along with how misleading centerline temperature measurements can be. Pronghorn reproduces the axial and radial stratification that makes single thermocouple readings unreliable. Future research will focus on reduced-order modeling techniques to enable rapid simulation suitable for real-time digital twin applications. The validated cases provide a basis for developing reduced-order surrogates aimed at real-time digital-twin applications.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Data processing pipeline for Tianlai experiment

The Tianlai project is a 21cm intensity mapping experiment for detecting dark energy by measuring the baryon acoustic oscillation (BAO) features in the large scale structure power spectrum. This experiment provides an opportunity to test the data processing methods for cosmological 21cm signal extraction, which is still a great challenge in current radio astronomy research. The 21cm signal is much weaker than the foregrounds and easily aected by the imperfections in the instrumental responses. Furthermore, processing the large volumes of interferometer data poses a practical challenge. We have developed a data processing pipeline called tlpipe to process the drift scan survey data from the Tianlai experiment. It performs oine data processing tasks such as radio frequency interference (RFI) agging, array calibration, binning, and map-making, etc. It also includes utility functions needed for the data analysis, such as data selection, transformation, visualization and others. A number of new algorithms are implemented, for example the eigenvector decomposition method for array calibration and the Tikhnov regularization for m-mode analysis. In this paper we describe the design and implementation of the pipeline and illustrate its functions with some analysis of real data. Finally, we outline directions for future development of this publicly code.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Modeling the dynamic response of rock masses with multiple compliant fluid saturated joint sets - Part II: Continuum modeling

Part I of this two-part paper describes enhancements of a mesoscale model to include: many non-persistent fluid saturated joints with finite area, normal compliance with hysteresis and the weakening effects of angular deviation in the joint sets and of fluid pressure in the joints. The objective of this Part II is to use the results of the mesoscale model as simulated data to inspire functional forms in a continuum model for rock masses with multiple compliant fluid saturated joint sets which include these enhancements. Also, an algorithm is proposed for reducing the number of joint sets being modeled. Examples are presented here which show that the continuum model can predict similar anisotropic response to that observed in mesoscale simulations. In contrast with the mesoscale model, the continuum model can be used for large scale simulations of real applications, smoothly transitioning from coupled inelastic thermomechanical response near an explosive source to orthotropic elastic response far from the source.

58 GEOSCIENCES↗
DOE OSTI2022

An agent-based blackboard system for multi-objective optimization

In the field of multi-objective optimization, there are a multitude of algorithms from which to choose. Each algorithm has strengths and weaknesses associated with the mechanics for finding the Pareto front. Recently, researchers have begun to examine how multi-agent environments can be used to help solve multi-objective optimization problems. In this work, we propose a multi-objective optimization algorithm based on a multi-agent blackboard system (MABS). The MABS framework allows for multiple agents to read and write pertinent optimization problem data to a central blackboard agent. Agents can stochastically search the design space, use previously discovered solutions to explore local optima, or update and prune the Pareto front. A centralized blackboard framework allows the optimization problem to be solved in a cohesive manner and permits stopping, restarting, or updating the optimization problem. The MABS framework is tested against three alternative optimization algorithms across a suite of engineering design problems and typically outperforms the other algorithms in discovering the Pareto front. A parallelizability study is performed where we find that the MABS is able to evaluate a set number of designs, which require an evaluation time ranging from 0 to 300 seconds, quicker than a traditional optimization algorithm: this fact becomes more apparent the longer it takes to evaluate a design. To provide context for the benefits provided by MABS, a real-world nuclear engineering design problem is examined. MABS is used to examine the placement of experiments in a nuclear reactor, where we are able to evaluate hundreds of configurations for experimental placement while maintaining a strict set of safety constraints.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Fault-tolerant resource comparison of qudit and qubit encodings for diagonal quadratic operators

Finite local Hilbert-space truncations arise naturally in quantum simulations of lattice field theories and motivate qudit encodings, but their fault-tolerant advantage over qubit encodings remains unclear. We compare the non-Clifford cost of implementing quadratic diagonal evolutions, exemplified by 𝑈 = 𝑒$^{−𝑖⁢𝑡⁢𝜙^2_𝑥}$ in a uniform field-amplitude discretization of a real scalar field, using either one logical 𝑑-level qudit or 𝑛 𝑏 = ⌈log 2⁡ 𝑑⌉ logical qubits. We analyze two standard settings: product-formula simulation and linear combination of unitaries (LCU) per block encoding, taking the resource metric to be the number of non-Clifford gates after synthesis into a discrete logical gate set. Because tight synthesis bounds for general single-qudit rotations are not known, we express the qudit constructions in terms of embedded two-level SU⁡(2) rotations and derive explicit finite-𝑑 break-even conditions for their synthesis cost; these serve as compiler targets for when qudit encodings can outperform the qubit baseline. Within the constructive models studied here, product-formula implementations would require an exponentially stronger per-primitive synthesis advantage for qudits to win asymptotically, while in the LCU setting the qubit encoding is asymptotically cheaper in 𝑑. Nevertheless, the finite-𝑑 threshold analysis identifies low-dimensional regions in which qudits can yield meaningful constant-factor savings, particularly for LCU-based implementations. As a secondary analysis of the LCU construction, we use an idealized negligible-overhead qubit-qudit code-switching model to give an absolute 𝑇-count comparison and reinterpret the savings as an allowable per-switch overhead budget.

Godwood, Samuel [Univ. of Liverpool (United Kingdo↗
DOE OSTI2024

Efficient boundary-guided scanning for high-resolution X-ray ptychography

In the realm of X-ray ptychography experiments, a considerable amount of ptychography scans are typically performed within a field of view encompassing the target sample. While it is crucial to obtain overlapping scans in small increments over the region of interest for achieving high-resolution sample reconstruction, a significant number of these scans often redundantly measure the empty background within the wide field of view. To address this inefficiency, an innovative algorithm is proposed that introduces automatic guidance for data acquisition. The algorithm first directs the scan point to actively search for the object of interest within the field of view. Subsequently, it intelligently scans along the perimeter of the sample, strategically acquiring measurements exclusively within the boundary of the region of interest. By employing this approach, a reduction in the number of measurements required to obtain high-resolution reconstruction images is demonstrated, as compared with conventional raster scanning methods. Furthermore, the automatic guidance provided by the algorithm offers the added advantage of saving valuable time during the reconstruction process. Through practical implementation on real experiments, these findings showcase the efficacy of the proposed algorithm in enhancing the efficiency and accuracy of X-ray ptychography experiments. This novel approach holds immense potential for advancing sample analysis and imaging techniques in various scientific disciplines.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗