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At least 973 records · Page 54

Secure Route: Roadway Risk Mapping for Transportation Planners

The secure transport of sensitive materials across U.S. road networks pose unique challenges for local, state, and federal agencies. Threats range from random events (e.g., accidents, medical emergencies, mechanical failures) to opportunistic or organized tactical assaults. Although the probability of such attacks is very low, the consequences of material loss to foreign states or terrorists can be catastrophic, qualifying these scenarios as “grey swan” events—low-probability, high-impact occurrences that are predictable but difficult to quantify. Traditional risk assessments struggle in these contexts, necessitating a shift toward subjective risk perception to inform planning. Risk perception in transport planning is shaped by various factors, including knowledge of adversarial capabilities, vehicle defenses, manifest details, and geographic features along the route. Geographic features such as bridges, tunnels, roadside elevation, and gaps in cellular coverage introduce vulnerabilities, while mitigative features include safe havens, police stations, and medical services. Temporal variables such as congestion, accidents, and weather further complicate route planning. Despite their importance, existing routing tools like Google Maps and commercial software do not explicitly account for geographic risk features, requiring planners to rely on personal familiarity with routes—a time-intensive, non-scalable approach. This work addresses these gaps by: (1) developing datasets that catalog geographic risk features along U.S. roadways, (2) eliciting risk perceptions from experienced transportation security experts, and (3) linking these perceptions to roadway conditions and geographic data. We implement these capabilities within Secure Route a novel mapping tool for classifying route segment risks associated with roadway conditions. This system provides transportation planners with an intuitive interface to assess and contextualize risk along potential routes, improving decision-making for secure transport. We present current progress in this effort and identify next steps.

Stewart, Robert [ORNL] (ORCID:0000000281867559)↗

DEMONSTRATION OF A DATA-DRIVEN PHYSICS-BASED APPROACH FOR COMPUTATIONALLY EFFICIENT CFD PREDICTION OF TWO-PHASE BUBBLY FLOW

To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale physics-guided data-driven approach, Feature Similarity Measurement (FSM) technique was developed for error estimation in two-phase flow simulation using coarse-mesh CFD, to achieve a comparable accuracy as fine-mesh simulations with fast-running feature. By defining physics-guided parameters and variable gradients as physical features, FSM has the capability to capture the underlying local patterns in the coarse-mesh CFD simulation. Massive low-fidelity data and respective high-fidelity data are used to explore the underlying information relevant to the main simulation errors and the effects of phenomenological scaling. By learning from previous simulation data, a surrogate model using deep feedforward neural network (DFNN) can be developed and trained to estimate the simulation error of coarse-mesh CFD. In a demonstration case of two-phase bubbly flow, the DFNN model well captured and corrected the unphysical “peaks” in the velocity and void fraction profiles near the wall in the coarse-mesh configuration, even for extrapolative predictions. The research documented supports the feasibility of the physics-guided deep learning methods for coarse mesh CFD simulations which has a potential for the efficient industrial design.

42 ENGINEERING↗

Computationally efficient CFD prediction of bubbly flow using physics-guided deep learning

To realize efficient computational fluid dynamics (CFD) prediction of two-phase flow, a multi-scale framework was proposed in this paper by applying a physics-guided data-driven approach. Instrumental to this framework, Feature Similarity Measurement (FSM) technique was developed for error estimation in two-phase flow simulation using coarse-mesh CFD, to achieve a comparable accuracy as fine-mesh simulations with fast-running feature. In this work, by defining physics-guided parameters and variable gradients as physical features, FSM has the capability to capture the underlying local patterns in the coarse-mesh CFD simulation. Massive low-fidelity data and respective high-fidelity data are used to explore the underlying information relevant to the main simulation errors and the effects of phenomenological scaling. By learning from previous simulation data, a surrogate model using deep feedforward neural network (DFNN) can be developed and trained to estimate the simulation error of coarse-mesh CFD. In a demonstration case of two-phase bubbly flow, the DFNN model well captured and corrected the unphysical “peaks” in the velocity and void fraction profiles near the wall in the coarse-mesh configuration, even for extrapolative predictions. The research documented supports the feasibility of the physics-guided deep learning methods for coarse mesh CFD simulations which has a potential for the efficient industrial design.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape

An ideal therapeutic anti-SARS-CoV-2 antibody would resist viral escape 1,2,3 , have activity against diverse sarbecoviruses 4,5,6,7 , and be highly protective through viral neutralization 8,9,10,11 and effector functions 12,13 . Understanding how these properties relate to each other and vary across epitopes would aid the development of therapeutic antibodies and guide vaccine design. Here we comprehensively characterize escape, breadth and potency across a panel of SARS-CoV-2 antibodies targeting the receptor-binding domain (RBD). Despite a trade-off between in vitro neutralization potency and breadth of sarbecovirus binding, we identify neutralizing antibodies with exceptional sarbecovirus breadth and a corresponding resistance to SARS-CoV-2 escape. One of these antibodies, S2H97, binds with high affinity across all sarbecovirus clades to a cryptic epitope and prophylactically protects hamsters from viral challenge. Antibodies that target the angiotensin-converting enzyme 2 (ACE2) receptor-binding motif (RBM) typically have poor breadth and are readily escaped by mutations despite high neutralization potency. Nevertheless, we also characterize a potent RBM antibody (S2E12 8 ) with breadth across sarbecoviruses related to SARS-CoV-2 and a high barrier to viral escape. These data highlight principles underlying variation in escape, breadth and potency among antibodies that target the RBD, and identify epitopes and features to prioritize for therapeutic development against the current and potential future pandemics.

60 APPLIED LIFE SCIENCES↗

Overview of Base Model in Parametric Studies Specific to Performance of U-Mo Plates

This paper provides an overview of the base model specifically developed to perform parametric sensitivity studies on the U-10Mo monolithic fuel system. U-Mo monolithic fuels are being considered for the conversion of test reactors into high-performance research reactors that operate using proliferation-resistant, low-enriched uranium (LEU) fuels. These plate-type fuels contain a high-density, low-enrichment fuel sandwiched between zirconium diffusion barriers and encapsulated in aluminum claddings. All U.S. high-performance research reactors have released the designs of their LEU monolithic fuel reactor cores. These designs include nearly 50 distinct fuel plate geometries with different operational parameters. Consequently, a single generic plate geometry representing all the extreme points in this design matrix is unrealistic. To evaluate the performance for various parameters, a set of sensitivity studies was performed. These studies considered various input parameters (i.e., geometric, operational, and material property-related). The results revealed valuable information about plate performance and the sensitivity of this performance to various modeling inputs. To establish a reference state for comparing these result, base model featuring representative irradiation conditions was developed. To capture in-reactor behavior accurately, incorporation of representative constitutive models capable of evolving properties with respect to temperature, irradiation time, and burnup was needed. The behavioral models considered burnup-dependent properties, swelling, creep, and degradation. This paper introduces the base model created for the parametric sensitivity studies. The detailed description of the procedure includes the model geometry, model discretization, thermo-mechanical coupling, material properties and behavioral models. This paper also provides selected results and assesses the performance of the base model.

42 ENGINEERING↗

The 2GCHAS: A high productivity software development environment

To the user, the most visible feature of the Transportable Applications Executive (TAE) is its very powerful user interface. To the programmer, TAE's user interface, proc concept, standardized interface definitions, and hierarchy search provide a set of tools for rapidly prototyping or developing production software. The 2GCHAS (Second Generation Comprehensive Helicopter Analysis System) project has extended and enhanced these mechanisms, creating a powerful and high productivity programming environment where the 2GCHAS development environment is 2GCHAS itself and where a sustained rate for certified, documented, and tested software above 30 delivered source instructions per programmer day has been achieved. The 2GCHAS environment is not limited to helicopter analysis, but is applicable to other disciplines where software development is important.

Babb, Larry↗

Visualizing Geospatial Data through ESRI Story Maps for Earth Science Education: Lessons Learned from My NASA Data

For 20 years My NASA Data (MND) has curated NASA Earth science data and provided the data to educators in engaging learner-centered resources. MND has recently featured story maps as an innovative way to engage students in NASA Earth data. A story map is a cloud-based lesson that engages the learner in interactive geospatial maps using NASA data, and other multimedia content, text, and tasks that can be seamlessly incorporated in classroom instruction. This immersive technology eliminates the need for the user to move among tricky interfaces to access and visualize Earth science data, and no special software is required to be downloaded. Each story map integrates data from different NASA satellite missions, retrieved from Distributed Active Archive Centers (DAACs). Story maps also employ data analysis tools, such as time series options and swipe tools that allow learners to view and analyze relationships between scientific variables. MND has produced 25 story map lesson plans on the topics of air quality, the urban heat island effect, Earth’s energy budget, phytoplankton distribution, hurricane formation, solar eclipses, ocean circulation patterns, sea ice extent, and volcanic eruptions. Nine of them are extended story maps and written in the 5E format, which is internationally recognized as best practice based on how children learn science. Each story map resource is developed by the MND team featuring a GIS programming specialist, a lead scientist, and educational specialist/s to ensure the context, content, and methods are scientifically and educationally sound. The MND story maps are written for middle and high school science teachers and students as they connect with the Earth Systems Science phenomena featured in the Next Generation Science Standards. Each story map includes supporting resources for smooth integration in the classroom. During Fiscal Year 2023, The My NASA Data website received over 100,000 story map engagements during. These metrics highlight the interest in story maps as an Earth Science educational resource.

Desiray Wilson↗

Mapping ephemeral stream networks in desert environments using very-high-spatial-resolution multispectral remote sensing

In this paper, understanding the spatial patterns of ephemeral streams is crucial for understanding how hydrologic processes influence the abundance and distribution of wildlife habitats in desert regions. Available methods for mapping ephemeral streams at the watershed scale typically underestimate the size of channel networks. Although remote sensing is an effective means of collecting data and obtaining information on large, inaccessible areas, conventional techniques for extracting channel features are not sufficient in regions that have small topographic gradients and subtle target-background spectral contrast. By using very high resolution multispectral imagery, we developed a new algorithm that applies landscape information to map ephemeral channels in desert regions of the Southwestern United States where utility-scale solar energy development is occurring. Knowledge about landscape features and structures was integrated into the algorithm using a series of spectral transformation and spatial statistical operations to integrate information about landscape features and structures. The algorithm extracted ephemeral stream channels at a local scale, with the result that approximately 900% more ephemeral streams was identified than what were identified by using the U.S. Geological Survey’s National Hydrography Dataset. The accuracy of the algorithm in detecting channel areas was as high as 92%, and its accuracy in delineating channel center lines was 91% when compared to a subset of channel networks that were digitized by using the very high resolution imagery. Although the algorithm captured stream channels in desert landscapes across various channel sizes and forms, it often underestimated stream headwaters and channels obscured by bright soils and sparse vegetation. While further improvement is warranted, the algorithm provides an effective means of obtaining detailed information about ephemeral streams, and it could make a significant contribution toward improving the hydrological modelling of desert environments.

47 OTHER INSTRUMENTATION↗

Evaluation of a Reduced-Order Model for IBR Fault Response Representation via OEM Blackbox Models

This paper presents a fully implemented inverter reduced-order-model (ROM) in an EMT simulation (PSCAD) library component for direct user utilization in protection studies. The developed inverter ROM has the following features: Equivalent to a full inverter-based resource (IBR) inverter model with positive- and negative-sequence current formulation and representation. A Python script is developed to fully automate this process, including training data generation, ROM parameter training, updating parameters, and model verification and validation. The ROM is validated using both IEEE 2800-compliant and non-compliant OEM modes in a real-world system, building confidence of its usability by protection engineers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

H-alpha and hard X-ray development in two-ribbon flares

Morphological features of two-ribbon flares have been studied, using simultaneous ISEE-3 hard X-ray records and high-resolution Big Bear H-alpha movies for more than 20 events. Long-lasting and complex hard X-ray bursts are almost invariably found associated with flares of the two-ribbon type. At least three events are found, namely March 31, 1979, April 10, 1980, and July 1, 1980, where the occurrence of individual spikes in hard X-ray radiation coincides with suddenly enhanced H-alpha emission covering the sunspot penumbra. There definitely exist important (greater than or equal to 1 B) two-ribbon flares without significant hard X-ray emission.

Dwivedi, B. N.↗

High dimensional feature reduction via projection pursuit

The recent development of more sophisticated remote sensing systems enables the measurement of radiation in many more spectral intervals than previously possible. An example of that technology is the AVIRIS system, which collects image data in 220 bands. As a result of this, new algorithms must be developed in order to analyze the more complex data effectively. Data in a high dimensional space presents a substantial challenge, since intuitive concepts valid in a 2-3 dimensional space to not necessarily apply in higher dimensional spaces. For example, high dimensional space is mostly empty. This results from the concentration of data in the corners of hypercubes. Other examples may be cited. Such observations suggest the need to project data to a subspace of a much lower dimension on a problem specific basis in such a manner that information is not lost. Projection Pursuit is a technique that will accomplish such a goal. Since it processes data in lower dimensions, it should avoid many of the difficulties of high dimensional spaces. In this paper, we begin the investigation of some of the properties of Projection Pursuit for this purpose.

Jimenez, Luis↗

Three-dimensional viscous design methodology for advanced technology aircraft supersonic inlet systems

A broad program to develop advanced, reliable, and user oriented three-dimensional viscous design techniques for supersonic inlet systems, and encourage their transfer into the general user community is discussed. Features of the program include: (1) develop effective methods of computing three-dimensional flows within a zonal modeling methodology; (2) ensure reasonable agreement between said analysis and selective sets of benchmark validation data; (3) develop user orientation into said analysis; and (4) explore and develop advanced numerical methodology.

Anderson, B. H.↗

Three-dimensional viscous design methodology for advanced technology aircraft supersonic inlet systems

A broad program to develop advanced, reliable, and user oriented three-dimensional viscous design techniques for supersonic inlet systems, and encourage their transfer into the general user community is discussed. Features of the program include: (1) develop effective methods of computing three-dimensional flows within a zonal modeling methodology; (2) ensure reasonable agreement between said analysis and selective sets of benchmark validation data; (3) develop user orientation into said analysis; and (4) explore and develop advanced numerical methodology. Previously announced in STAR as N84-13190

Anderson, B. H.↗

On Geomagnetism and Paleomagnetism

A statistical description of Earth's broad scale, core-source magnetic field has been developed and tested. The description features an expected, or mean, spatial magnetic power spectrum that is neither "flat" nor "while" at any depth, but is akin to spectra advanced by Stevenson and McLeod. This multipole spectrum describes the magnetic energy range; it is not steep enough for Gubbins' magnetic dissipation range. Natural variations of core multipole powers about their mean values are to be expected over geologic time and are described via trial probability distribution functions that neither require nor prohibit magnetic isotropy. The description is thus applicable to core-source dipole and low degree non-dipole fields despite axial dipole anisotropy. The description is combined with main field models of modem satellite and surface geomagnetic measurements to make testable predictions of: (1) the radius of Earth's core, (2) mean paleomagnetic field intensity, and (3) the mean rates and durations of both dipole power excursions and durable axial dipole reversals. The predicted core radius is 0.7% above the 3480 km seismologic value. The predicted root mean square paleointensity (35.6 mu T) and mean Virtual Axial Dipole Moment (about 6.2 lx 1022 Am(exp 2)) are within the range of various mean paleointensity estimates. The predicted mean rate of dipole power excursions, as defined by an absolute dipole moment <20% of the 1980 value, is 9.04/Myr and 14% less than obtained by analysis of a 4 Myr paleointensity record. The predicted mean rate of durable axial dipole reversals (2.26/Myr) is 2.3% more than established by the polarity time-scale for the past 84 Myr. The predicted mean duration of axial dipole reversals (5533 yr) is indistinguishable from an observational value. The accuracy of these predictions demonstrates the power and utility of the description, which is thought to merit further development and testing. It is suggested that strong stable stratification of Earth's uppermost outer core leads to a geologically long interval of no dipole reversals and a very nearly axisymmetric field outside the core. Statistical descriptions of other planetary magnetic fields are outlined.

Voorhies, Coerte V.↗

How Much Chemistry Does a Deep Neural Network Need to Know to Make Accurate Predictions?

In the last few years, we have seen the rise of deep learning applications in a broad range of computational chemistry research problems. Using human-engineered chemical features, such as molecular descriptors and fingerprints, deep learning models have shown similar, if not better performance that most traditional machine learning algorithms. Recently, we reported on the development of Chemception, a deep convolutional neural network (CNN) architecture for general-purpose small molecule property prediction. On average, Chemception matched the performance of expert-developed QSAR/QSPR models trained on chemical features (molecular fingerprints), despite that it was trained on just 2D images of molecular drawings with minimal chemical information. Here, we investigate the effects of systematically removing and adding basic chemical information to the image channels of the 2D images used to train Chemception. By augmenting our images with only 3 additional basic chemical information, we demonstrate the improvement of Chemception performance – that it is now more accurate than contemporary deep learning models trained on ECFP fingerprints for the prediction of toxicity, activity and solvation free energy, as well as physics-based free energy simulation methods for computing solvation properties. By altering the chemical information content in the image channels, and examining the resulting performance of Chemception, we also identify to two different “learning patterns” in toxicity/activity as compared to solvation free energy, and it parallels the fundamental differences in contemporary chemistry research for predicting toxicity/activity and solvation free energy.

Artificial Intelligence, Cheminformatics, Computat↗

Toward real-time performance benchmarks for Ada

The issue of real-time performance measurements for the Ada programming language through the use of benchmarks is addressed. First, the Ada notion of time is examined and a set of basic measurement techniques are developed. Then a set of Ada language features believed to be important for real-time performance are presented and specific measurement methods discussed. In addition, other important time related features which are not explicitly part of the language but are part of the run-time related features which are not explicitly part of the language but are part of the run-time system are also identified and measurement techniques developed. The measurement techniques are applied to the language and run-time system features and the results are presented.

Clapp, Russell M.↗

The Monarch Initiative in 2024: an analytic platform integrating phenotypes, genes and diseases across species

Abstract Bridging the gap between genetic variations, environmental determinants, and phenotypic outcomes is critical for supporting clinical diagnosis and understanding mechanisms of diseases. It requires integrating open data at a global scale. The Monarch Initiative advances these goals by developing open ontologies, semantic data models, and knowledge graphs for translational research. The Monarch App is an integrated platform combining data about genes, phenotypes, and diseases across species. Monarch's APIs enable access to carefully curated datasets and advanced analysis tools that support the understanding and diagnosis of disease for diverse applications such as variant prioritization, deep phenotyping, and patient profile-matching. We have migrated our system into a scalable, cloud-based infrastructure; simplified Monarch's data ingestion and knowledge graph integration systems; enhanced data mapping and integration standards; and developed a new user interface with novel search and graph navigation features. Furthermore, we advanced Monarch's analytic tools by developing a customized plugin for OpenAI’s ChatGPT to increase the reliability of its responses about phenotypic data, allowing us to interrogate the knowledge in the Monarch graph using state-of-the-art Large Language Models. The resources of the Monarch Initiative can be found at monarchinitiative.org and its corresponding code repository at github.com/monarch-initiative/monarch-app.

60 APPLIED LIFE SCIENCES↗