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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Biclique: an R package for maximal biclique enumeration in bipartite graphs

Bipartite graphs are widely used to model relationships between pairs of heterogeneous data types. Maximal bicliques are foundational structures in such graphs, and their enumeration is an important task in systems biology, epidemiology and many other problem domains. Thus, there is a need for an efficient, general purpose, publicly available tool to enumerate maximal bicliques in bipartite graphs. The statistical programming language R is a logical choice for such a tool, but until now no R package has existed for this purpose. Our objective is to provide such a package, so that the research community can more easily perform this computationally demanding task. Biclique is an R package that takes as input a bipartite graph and produces a listing of all maximal bicliques in this graph. Input and output formats are straightforward, with examples provided both in this paper and in the package documentation. Biclique employs a state-of-the-art algorithm previously developed for basic research in functional genomics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Artificial Reasoning System for Symptom-Based Conditional Failure Probability Estimation Using Bayesian Network

Advances in nuclear power technologies require enhanced capabilities for operator advice and autonomous control. One of the first tasks in the development of such capabilities is the formulation of symptom-based conditional failure probabilities for structures, systems, and components (SSCs) of interest, for which the primary goal is to aid plant personnel in deducing the probabilistic performance status of the monitored SSCs and in detecting impending faults/failure. The task of conditional failure probability estimation is a bidirectional inference problem and shall be logically tackled by the Bayesian network (BN) approach. As a knowledge-based artificial intelligence tool and a probabilistic graphical model, BN offers the capability of reasoning under uncertainty and graphical representation emulating the physical behavior of the target SSC. This paper provides a systematic overview of the BN technique and the software tools for handling implementation of BN models, along with the associated knowledge representation and reasoning paradigm. Both operational data and expert judgement can be readily incorporated into the knowledge base of a BN model. The challenges with data availability are highlighted, and the general approach to target SSC identification is presented. Our focus is upon failure-prone and risk-important balance of plant assets, especially cases having strong operator involvement. An exemplary case study on the failure of a motor-driven centrifugal pump is also conducted to demonstrate the usefulness and technical feasibility of the proposed artificial reasoning system using an expert system shell.

Zhao, Xingang↗
DOE OSTI2021

OPERATING EXPERIENCE AND ITS RELATIONSHIP TO EMBEDDED DIGITAL DEVICES IN SAFETY SYSTEMS

Interest in embedded digital devices (EDDs) for monitoring and providing control of components is increasing and the added functionality digital brings such as diagnostics, displays, control functions is welcomed in both the nuclear and other industries. As a result, pure analog-based components continue to disappear from the industrial I&C marketplace. Equipment with EDDs, also known by related terms such as smart devices, intelligent devices, and digital devices of limited functionality, can include sensors, breakers, priority logic modules, time delay relays, pumps, valve actuators, motor control centers, and uninterruptible power supplies. Not only is equipment consisting of analog and older digital technology being replaced with commercial grade products containing EDDs, but EDDs can also be retrofitted to work with existing components. EDDs may be installed physically within a component, such as in a relay. There are also external devices that some would not consider an EDD, but that operate in almost all technical ways identically to one internal to a component such as in a valve controller. In fact, the digital portions may be located hundreds of feet from the actual component.Due to the potential of being used in an identical manner and without alteration from their application in other industries, operating experience (OpE) for EDDs may be much more applicable than in the case of other more system level devices. Clear separation and independence of functionality provided with EDDs may also allow greater applicability of existing OpE from industry for changes that can be shown not to affect its safety function. However, OpE also demonstrates issues with different conditions between other industries and nuclear power plants, such as issues with undeclared changes or undeclared digital devices and the new failure modes they may introduce, issues with the reporting of OpE in industry, and a lack of transparency into OpE for EDDs.Understanding and addressing these issues will be key in the future use of EDDs in nuclear power plants, but failure rate data is difficult to obtain for EDDs, and lessons learned from the use of EDDs are difficult to collect and identify.Key words: embedded digital device, smart device, operating experience, failure modes

Muhlheim, Michael↗
DOE OSTI2021

EXPLAINABLE AND TRUSTWORTHY DIAGNOSTICS ACHIEVABLE THROUGH PROCESS-BASED AUTOMATED REASONING

An approach has been developed that incorporates domain knowledge to obtain a more explainable and trustworthy equipment health monitoring diagnosis than might otherwise be obtained from a purely data-driven method. Physics-based models serve to constrain the realizable solution space and render a more trusted diagnosis. An automated reasoning algorithm performs backward chaining to infer a diagnosis that is consistent with logic statements that have been evaluated as true. This diagnosis is made explainable to an operator by providing the forward chaining path that elucidates for inspection and validity testing those truths implied by the diagnosis.

automated reasoning↗
DOE OSTI2020

Effect of heating/cooling dynamics in the hysteresis loop and tunable IR emissivity of VO 2 thin films

We experimentally investigate the semiconductor-to-metal transition (SMT) in vanadium dioxide thin films using an infrared thermographic technique. During the semiconductor to metal phase change process, VO 2 optical properties dynamically change and infrared emission undergoes a hysteresis loop due to differences between heating and cooling stages. The shape of the hysteresis loop was accurately monitored under different dynamic heating/cooling rates. In order to quantify and understand the effects of different rates, we used a numerical modelling approach in which a VO 2 thin layer was modeled as metamaterial. The main experimental findings are interpreted assuming that both the rate of formation and shape of metallic inclusions are tuned with the heating/cooling rate. The structural transition from monoclinic to tetragonal phases is the main mechanism for controlling the global properties of the phase transition. However, our experimental results reveal that the dynamics of the heating/cooling process can become a useful parameter for further tuning options and lays out a macroscopic optical sensing scheme for the microscopic phase change dynamics of VO 2 . Our study sheds light on phase-transition dynamics and their effect on the infrared emission spectra of VO 2 thin films, therefore enabling the heating/cooling rate to be an additional parameter to control infrared emission characteristics of thermal emitters. The hysteresis loop represents the phase coexistence region, thus being of fundamental importance for several applications, such as the operation of radiative thermal logic elements based on phase transition materials. For such applications, the phase transition region is shifted for heating and cooling processes. We also show that, depending on the way the phase change elements are heated, the temperature operation range will be slightly modified.

42 ENGINEERING↗
DOE OSTI2020

The effect of enrofloxacin on enteric Escherichia coli : Fitting a mathematical model to in vivo data

Antimicrobial drugs administered systemically may cause the emergence and dissemination of antimicrobial resistance among enteric bacteria. To develop logical, research-based recommendations for food animal veterinarians, we must understand how to maximize antimicrobial drug efficacy while minimizing risk of antimicrobial resistance. Our objective is to evaluate the effect of two approved dosing regimens of enrofloxacin (a single high dose or three low doses) on Escherichia coli in cattle. We look specifically at bacteria above and below the epidemiological cutoff (ECOFF), above which the bacteria are likely to have an acquired or mutational resistance to enrofloxacin. We developed a differential equation model for the antimicrobial drug concentrations in plasma and colon, and bacteria populations in the feces. The model was fit to animal data of drug concentrations in the plasma and colon obtained using ultrafiltration probes. Fecal E. coli counts and minimum inhibitory concentrations were measured for the week after receiving the antimicrobial drug. We predict that the antimicrobial susceptibility of the bacteria above the ECOFF pre-treatment strongly affects the composition of the bacteria following treatment. Faster removal of the antimicrobial drugs from the colon throughout the study leads to improved clearance of bacteria above the ECOFF in the low dose regimen. If we assume a fitness cost is associated with bacteria above the ECOFF, the increased fitness costs leads to reduction of bacteria above the ECOFF in the low dose study. These results suggest the initial E. coli susceptibility is a strong indicator of how steers respond to antimicrobial drug treatment.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Modeling protected species distributions and habitats to inform siting and management of pioneering ocean industries: A case study for Gulf of Mexico aquaculture

Marine Spatial Planning (MSP) provides a process that uses spatial data and models to evaluate environmental, social, economic, cultural, and management trade-offs when siting (i.e., strategically locating) ocean industries. Aquaculture is the fastest-growing food sector in the world. The United States (U.S.) has substantial opportunity for offshore aquaculture development given the size of its exclusive economic zone, habitat diversity, and variety of candidate species for cultivation. However, promising aquaculture areas overlap many protected species habitats. Aquaculture siting surveys, construction, operations, and decommissioning can alter protected species habitat and behavior. Additionally, aquaculture-associated vessel activity, underwater noise, and physical interactions between protected species and farms can increase the risk of injury and mortality. In 2020, the U.S. Gulf of Mexico was identified as one of the first regions to be evaluated for offshore aquaculture opportunities as directed by a Presidential Executive Order. We developed a transparent and repeatable method to identify aquaculture opportunity areas (AOAs) with the least conflict with protected species. First, we developed a generalized scoring approach for protected species that captures their vulnerability to adverse effects from anthropogenic activities using conservation status and demographic information. Next, we applied this approach to data layers for eight species listed under the Endangered Species Act, including five species of sea turtles, Rice’s whale, smalltooth sawfish, and giant manta ray. Next, we evaluated four methods for mathematically combining scores (i.e., Arithmetic mean, Geometric mean, Product, Lowest Scoring layer) to generate a combined protected species data layer. The Product approach provided the most logical ordering of, and the greatest contrast in, site suitability scores. Finally, we integrated the combined protected species data layer into a multi-criteria decision-making modeling framework for MSP. This process identified AOAs with reduced potential for protected species conflict. These modeling methods are transferable to other regions, to other sensitive or protected species, and for spatial planning for other ocean-uses.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Prospects for silvicultural enhancement of fire resistance in mesic westside forests of the Pacific Northwest

Increasing wildfire activity in mesic, temperate Pacific Northwest forests west of the Cascade Range crest has stimulated interest in understanding whether alternative forest management practices could reduce risk of stand-replacing fire. To explore how management can enhance fire resistance in these forests and assess tradeoffs among resistance enhancement, carbon sequestration and storage, and economic returns, we conducted 40-year simulations of stand development with BioSum, a framework for conducting landscape analysis with the Forest Vegetation Simulator (FVS), utilizing a statistically representative and spatially balanced sample of Forest Inventory and Analysis (FIA) plots. Simulation outcomes under business-as-usual silviculture were contrasted with fire-aware silviculture, and treatment optimization logic was developed and applied to represent landscape-scale outcomes under business-as-usual and fire-focused management scenarios. Simulation results indicate that fire-aware prescriptions and fire-focused management can meaningfully enhance stand- and landscape-scale fire resistance of westside forests under less than extreme fire weather, but at the cost of lower economic returns and reduced net carbon storage and sequestration over the 40-year analysis window. Shifting from business-as-usual regeneration harvests with short rotations to fire-aware, episodic selection harvest improved fire resistance the most, especially in young privately-owned forests, and with only modest tradeoffs in carbon and economic outcomes. While fire-aware treatments generally reduced net present value from forest operations over business-as-usual, most treatments still generated positive net present value and could be implemented without subsidy. Fire-aware prescriptions that removed and utilized non-merchantable harvest residues instead of burning them, via either pile or broadcast burning, partially mitigated carbon emissions associated with fire-aware treatments, with about the same improvement in fire resistance. Given the currently limited institutional and financial capacity to implement fire resistance enhancing treatments at scale, the insights from this analysis may aid managers seeking to elevate fire resistance to prioritize where and how to manage.

Science & Technology - Other Topics↗
DOE OSTI2023

DEEPEN 3D PFA Weights for Exploration Datasets in Magmatic Environments

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), weights needed to be developed for use in the weighted sum of the different favorability index models produced from geoscientific exploration datasets. This GDR submission includes those weights. The weighting was done using two different approaches: one based on expert opinions, and one based on statistical learning. The weights are intended to describe how useful a particular exploration method is for imaging each component of each play type. They may be adjusted based on the characteristics of the resource under investigation, knowledge of the quality of the dataset, or simply to reduce the impact a single dataset has on the resulting outputs. Within the DEEPEN PFA, separate sets of weights are produced for each component of each play type, since exploration methods hold different levels of importance for detecting each play component, within each play type. The weights for conventional hydrothermal systems were based on the average of the normalized weights used in the DOE-funded PFA projects that were focused on magmatic plays. This decision was made because conventional hydrothermal plays are already well-studied and understood, and therefore it is logical to use existing weights where possible. In contrast, a true PFA has never been applied to superhot EGS or supercritical plays, meaning that exploration methods have never been weighted in terms of their utility in imaging the components of these plays. To produce weights for superhot EGS and supercritical plays, two different approaches were used: one based on expert opinion and the analytical hierarchy process (AHP), and another using a statistical approach based on principal component analysis (PCA). The weights are intended to provide standardized sets of weights for each play type in all magmatic geothermal systems. Two different approaches were used to investigate whether a more data-centric approach might allow new insights into the datasets, and also to analyze how different weighting approaches impact the outcomes. The expert/AHP approach involved using an online tool (https://bpmsg.com/ahp/) with built-in forms to make pairwise comparisons which are used to rank exploration methods against one-another. The inputs are then combined in a quantitative way, ultimately producing a set of consensus-based weights. To minimize the burden on each individual participant, the forms were completed in group discussions. While the group setting means that there is potential for some opinions to outweigh others, it also provides a venue for conversation to take place, in theory leading the group to a more robust consensus then what can be achieved on an individual basis. This exercise was done with two separate groups: one consisting of U.S.-based experts, and one consisting of Iceland-based experts in magmatic geothermal systems. The two sets of weights were then averaged to produce what we will from here on refer to as the "expert opinion-based weights," or "expert weights" for short. While expert opinions allow us to include more nuanced information in the weights, expert opinions are subject to human bias. Data-centric or statistical approaches help to overcome these potential human biases by focusing on and drawing conclusions from the data alone. More information on this approach along with the dataset used to produce the statistical weights may be found in the linked dataset below.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

SBML Level 3: an extensible format for the exchange and reuse of biological models

Systems biology has experienced dramatic growth in the number, size, and complexity of computational models. To reproduce simulation results and reuse models, researchers must exchange unambiguous model descriptions. We review the latest edition of the Systems Biology Markup Language (SBML), a format designed for this purpose. A community of modelers and software authors developed SBML Level 3 over the past decade. Its modular form consists of a core suited to representing reaction-based models and packages that extend the core with features suited to other model types including constraint-based models, reaction-diffusion models, logical network models, and rule-based models. The format leverages two decades of SBML and a rich software ecosystem that transformed how systems biologists build and interact with models. More recently, the rise of multiscale models of whole cells and organs, and new data sources such as single-cell measurements and live imaging, has precipitated new ways of integrating data with models. We provide our perspectives on the challenges presented by these developments and how SBML Level 3 provides the foundation needed to support this evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Particulate mass migration and mixing in cylindrically contained explosions

Abstract To explore particulate movement near the plasma of chemical explosions, rugged tracer particles were placed within and on the exterior of metal charges and electrically detonated. The particles were collected on/in the porous walls of plastic cylinders at diameters that correlated to the plasma width during different phases of the explosion. The particles’ positions were determined by Boolean logic analysis of their luminescent intensity. The cylinders which caught particles from the initial phases of the explosion retained placement information, while wider cylinders showed uniform mixing. These results/analysis methodology can help improve the understanding of particulate mixing in harsh environments. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2024

Red–green–blue Boolean image analysis of particulate debris laced with luminescent tracers

Abstract Particulate mass estimation from 3-pixel images is desirable in many fields. Red–green–blue (RGB) analysis and Boolean logic were shown to estimate the mass of luminescent tracers in microscopic images. With a controlled background intensity, an estimation error of 1.8 to 3.5% was achieved; in uncontrolled backgrounds, an error of about 18% was achieved. RGB analysis is a valuable tool for spatial location of particulates. This work shows it is possible to estimate the particulate mass in an image and gives RGB an extension into mass quantification that has far-reaching impacts in fields involving the fate and transport of particulate matter. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2025

Basin-Scale Structural Features Database

The Basin-Scale Structural Features database provides spatial datasets of faults, fractures, folds, and earthquakes compiled from public, authoritative sources (e.g., U.S. Geological Survey and State Geological Surveys) and aggregated into derivative forms to support subsurface assessments. Recognizing that characterizing basin-scale structural features requires interpreting data that are often ambiguous or lack key information, the source data were evaluated using a knowledge-data framework and geospatial fuzzy logic method (Justman et al., 2020) to represent both measured (observed) and predicted (inferred or potential) structural features as derivative datasets. This workflow employs conceptual models for known structural features and predicted structural features, incorporating geospatial data to estimate potential, even with limited data. The aim is to aid and support an understanding of basin-scale features and identify potential gaps in data and knowledge. As of 4/30/2025, the database includes resources for nine sedimentary basins: Appalachian, Denver, U.S. Gulf Coast, Illinois, Michigan, Permian, Sacramento, San Joquin and Williston. The database is organized by basin and then data category: 1) Faults, fractures, folds, 2) Earthquakes, 3) Topographic, 4) Structural contours and isopachs, 5) Geophysical, and 6) Structural feature density assessment maps.

basin scale↗
DOE OSTI2024

Smart CO2 Transport-Route Planning Tool

NETL has developed the Smart CO2 Transport-Route Planning Tool to help inform energy transport planning and development. The stand-alone, open-source tool applies data-driven, geospatial and machine-learning informed logic to identify potential routes or evaluate existing corridors based on current legislation, best construction practices, and more. Underpinning the interactive tool, is NETL’s CO2 Transport Planning Database (https://edx.netl.doe.gov/dataset/ccs-pipeline-route-planning-database-v1). This geospatial resource contains more than 70 gigabytes of data representing more than 60 critical factors for the spatial routing of CO2 transport, including land use requirements, existing infrastructure, high consequence areas, and natural hazards.

Bipartisan Infrastructure Law↗
DOE OSTI2025

Modernization of PLC-Based Control Systems at SNS

When the SNS site was built around 20 years ago, the Conventional Facilities (CF) control systems were de-signed using 2 communication protocols to allow pro-grammable logic controllers (PLCs) to interface with motors, variable frequency drives (VFDs), and remote input and output (I/O) devices. The protocol chosen to control motors and VFDs is DeviceNet, a CANbus-based protocol developed by Allen-Bradley, a subsidiary of Rockwell Automation. The protocol chosen to communi-cate with remote I/O is ControlNet, another protocol developed by Allen-Bradley. Both of these protocols are obsolete and present reliability and maintainability is-sues, particularly DeviceNet. As the Control Systems Section at SNS is working to modernize control systems throughout the machine, a major goal for PLC-based systems is to remove the obsolete communication proto-cols in favor of standard, ubiquitous Ethernet. To this end, any new VFDs installed use Ethernet communica-tion. Many VFDs are currently being replaced in the Central Utilities Building (CUB) and the Central Exhaust Facility (CEF) and are being removed from DeviceNet in favor of Ethernet communication. Planning is underway to retrofit Eaton Intelligent Technology motor control centers (MCCs) in the Target Building to remove particu-larly troublesome DeviceNet adaptors and replace them with Ethernet adaptors for each motor starter. The Con-trolNet network in the CUB has been demolished, with I/O drops integrated into a local Ethernet network, im-proving sustainability and maintainability.

Beaushaw, Isaiah [ORNL]↗
DOE OSTI2025

Evaluating Function-as-a-Service (FaaS) frameworks for the Accelerator Control System

As particle accelerator control systems evolve in complexity and scale, the need for responsive, scalable, and cost-effective computational infrastructure becomes increasingly critical. Function-as-a-Service (FaaS) offers an alternative to traditional monolithic architecture by enabling event-driven execution, automatic scaling, and fine-grained resource utilization. This paper explores the applicability and performance of FaaS frameworks in the context of a modern particle accelerator control system, with the objective of evaluating their suitability for short lived and triggered workloads. In this paper, we evaluate prominent open-source FaaS platforms in executing functional logic, triggers, and diagnostics routines. Evaluation metrics consist of cold-start latency, scalability, performance, integration with other open-source tools like Kafka. Experimental workloads were designed to simulate real-world control tasks when implemented as stateless FaaS functions. These workloads were benchmarked under various invocation loads and network conditions. Self-hosted FaaS platforms, when deployed within accelerator networks, offer greater control over execution environment, better integration with legacy systems, and support for real-time guarantees when paired with message queues. Based on lessons learned and evaluation metrics, this paper describes reliability of the FaaS framework for the Accelerator Control Systems (ACS).

Jaikar, A. [Fermilab] (ORCID:0000000332046217)↗
DOE OSTI2021

iharm3D: Vectorized General Relativistic Magnetohydrodynamics

iharm3D is an open-source C code for simulating black hole accretion systems in arbitrary stationary spacetimes using ideal general-relativistic magnetohydrodynamics (GRMHD). It is an implementation of the HARM (“High Accuracy Relativistic Magnetohydrodynamics”) algorithm outlined in Gammie et al. (2003) with updates as outlined in McKinney & Gammie (2004) and Noble et al. (2006). The code is most directly derived from Ryan et al. (2015) but with radiative transfer portions removed. HARM is a conservative finite-volume scheme for solving the equations of ideal GRMHD, a hyperbolic system of partial differential equations, on a logically Cartesian mesh in arbitrary coordinates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Chemical Recommender System: Replacement Suggestions for Small Molecules

The Chemical Recommender System (CRS) is an open-source, high-performance toolkit that enables real-time similarity searches across the complete PubChem database (over 50 million molecules) using commodity hardware. The CRS addresses critical limitations in existing chemical informatics platforms through a novel vector database infrastructure, extensible model integration capabilities, and complete algorithmic transparency. The system implements a vector database deployment with partitioned indexing that achieves a ~60x speedup over traditional approaches. A containerized model integration framework allows researchers to seamlessly incorporate custom predictive models into the full-scale search and scoring pipeline, while complete configurability of search parameters, filtering logic, and scoring functions provides capabilities not available in existing black-box solutions. Beyond structural similarity, the CRS integrates OPERA QSAR models for thermophysical and toxicity predictions, RDKit synthetic accessibility scoring, and user-defined models to compute weighted final replacement scores. The complete system is accessible through an interactive web application supporting real-time progress monitoring, post-processing score re-weighting, automated PDF reporting, and batch processing capabilities.

Nair, Parthiv Anand [Sandia National Laboratories ↗