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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 307 records · Page 17

Singularities, swallowtails and Dirac points. An analysis for families of Hamiltonians and applications to wire networks, especially the Gyroid

Motivated by the Double Gyroid nanowire network we develop methods to detect Dirac points and classify level crossings, aka. singularities in the spectrum of a family of Hamiltonians. The approach we use is singularity theory. Using this language, we obtain a characterization of Dirac points and also show that the branching behavior of the level crossings is given by an unfolding of A{sub n} type singularities. Which type of singularity occurs can be read off a characteristic region inside the miniversal unfolding of an A{sub k} singularity. We then apply these methods in the setting of families of graph Hamiltonians, such as those for wire networks. In the particular case of the Double Gyroid we analytically classify its singularities and show that it has Dirac points. This indicates that nanowire systems of this type should have very special physical properties. - Highlights: Black-Right-Pointing-Pointer New method for analytically finding Dirac points. Black-Right-Pointing-Pointer Novel relation of level crossings to singularity theory. Black-Right-Pointing-Pointer More precise version of the von-Neumann-Wigner theorem for arbitrary smooth families of Hamiltonians of fixed size. Black-Right-Pointing-Pointer Analytical proof of the existence of Dirac points for the Gyroid wire network.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

A Solid of Revolution Time Study using COG11.1 and MCNP6.1

The performance of two continuous energy Monte Carlo transport codes, COG11.1 and MCNP6.1, has been compared for the {sup 239}Pu Jezebel Benchmark using cross sections based on the ENDF/B-VII.1 evaluated nuclear data library. The purpose of this study is to determine the length of time it takes each code to complete a series of criticality calculations, using two different methods to model a solid of revolution. A solid of revolution is essential in many fields of engineering and mathematics, and has been a standard feature in computer-aided design and manufacturing since the 1970's. In the field of criticality safety, a solid of revolution can be used to reproduce and simplify complex engineering drawings and systems that would otherwise require excessive use of geometric primitives and computational resources to achieve a comparable level of fidelity. There are two basic methods to model a solid of revolution: Method 1 (COG) specifies a set of x-y pairs or polar coordinates and rotate the curve about the x-axis. Method 2 (COG and MCNP) creates a set of end-to-end conical frustums and/or cylinders. Method 1 is only available in COG and can be implemented using one surface and sector specification. Method 2 can be implemented in both COG and MCNP. This time study was initially conceived as a result of criticality safety analysis performed for a complex system with a high degree of rotational symmetry. Each COG input deck typically took 1-2 days to run in serial mode. COG input decks were then converted to MCNP format and run on the same computer cluster. Instead of expected 1-2 day runtimes, it took MCNP6.1 more than one week to complete each run. Since MCNP typically runs faster than many codes, these lengthy runtimes were considered unusual. This study attempts to investigate the runtime discrepancy between the two codes. The methods and benchmark in this time study were selected to provide a consistent, generalized approach to modeling an arbitrary solid of revolution. While there are many different ways to model the {sup 239}Pu Jezebel Benchmark, the focus of this study is on investigating the practical difference between the two basic methods to model a surface of revolution. Throughout this study, the only code that maintains reasonably low runtimes is COG11.1 (Method 1). Based on the observed performance of each code and method, it is likely that the divergent runtimes are the result of tracking particles across planes that lie between conical frustums, as opposed to defining the object boundary as a single surface. Slight fluctuations in graphed results were also observed, due to random sampling and CPU loading. This was confirmed by re-running input decks and comparing average runtimes to a preliminary curve fit. From the perspective of a criticality safety analyst, the results of this study are expected to contribute towards understanding one of the practical trade-offs between codes and methods as they apply to real-world analysis. Ultimately, it's about choosing the right tool for the job.

97 MATHEMATICS AND COMPUTING↗

MEASUR - Manufacturing Energy Assessment Software for Utility Reduction

MEASUR your energy savings with the free DOE MEASUR software The Department of Energy (DOE), with Oak Ridge National Laboratory (ORNL), released version 1.0 of their energy efficiency software tool MEASUR (Manufacturing Energy Assessment Software for Utility Reduction). MEASUR has been available for several years as a beta version, being tested by industry experts and real users, and will continue to be updated and improved in the coming years. It is an integrated suite of tools to aid manufacturers in improving the efficiency of energy systems and equipment within a plant, including motors, pumps, fans, process heating, steam, and compressed air. Additionally, there are modules for wastewater energy analysis and to help perform energy treasure hunts. Several calculators are also included, allowing users to independently perform smaller calculations and analyses (such as estimating pump head, performing a fan traverse analysis, estimating waste heat recovery potential, and cataloging compressed air leaks). The MEASUR modules are based on previous DOE software tools that have been used by industry since the early 2000s (such as MotorMaster, AirMaster+, PSAT, PHAST, and FSAT). The original tools only ran on Windows operating systems, and by Windows 10, most of them were inoperable. DOE started their energy efficiency software tool revitalization effort in 2016, first with PSAT (for pumps), then began to integrate the other tools and expand their functionality and utility. The new MEASUR suite provides an extensively more user-friendly, modern, and versatile set of tools. All the assessment modules and most of the calculators have several visual components and graphs and detailed help text for every user input. To help reach international users, the tool utilizes Google translate and users can easily change unit systems, even converting existing user inputs if desired. The assessment files can be organized within the internal file system and easily shared to other users, regardless of their operating system. The entire suite is free, open-source, and can be downloaded on Windows, Mac, or Linux operating systems.

Accawi, Gina [Oak Ridge National Lab. (ORNL), Oak ↗

Comparative study of machine learning techniques for post-combustion carbon capture systems

Computational analysis of countercurrent flows in packed absorption columns, often used in solvent-based post-combustion carbon capture systems (CCSs), is challenging. Typically, computational fluid dynamics (CFD) approaches are used to simulate the interactions between a solvent, gas, and column's packing geometry while accounting for the thermodynamics, kinetics, heat, and mass transfer effects of the absorption process. These simulations can then be used explain a column's hydrodynamic characteristics and evaluate its CO 2 -capture efficiency. However, these approaches are computationally expensive, making it difficult to evaluate numerous designs and operating conditions to improve efficiency at industrial scales. In this work, we comprehensively explore the application of statistical ML methods, convolutional neural networks (CNNs), and graph neural networks (GNNs) to aid and accelerate the scale-up and design optimization of solvent-based post-combustion CCSs. We apply these methods to CFD datasets of countercurrent flows in absorption columns with structured packings characterized by several geometric parameters. We train models to use these parameters, inlet velocity conditions, and other model-specific representations of the column to estimate key determinants of CO 2 -capture efficiency without having to simulate additional CFD datasets. We also evaluate the impact of different input types on the accuracy and generalizability of each model. We discuss the strengths and limitations of each approach to further elucidate the role of CNNs, GNNs, and other machine learning approaches for CO 2 -capture property prediction and design optimization.

97 MATHEMATICS AND COMPUTING↗

Hypergraph Analytics of Domain Name System Relationships

We report on the use of novel mathematical methods in hypergraph analytice over a large quantity of DNS data. Hypergraphs generalize graphs, as used in network science, to better model complex multiway relations in cyber data. Specifically, casting DNS data from Georgia Tech's ActiveDNS repository as hypergraphs allows us to fully represent the interactions between {\em collections} of domains and IP addresses. To facilitate large-scale analytics, we fielded an analytical pipeline of two capabilities. HyperNetX (HNX) is a Python package for the exploration and visualization of hypergraphs, acting as a frontend. For the backend, the Chapel HyperGraph Library (CHGL) is a library for high performance hypergraph analytics written in the exascale programming language Chapel. CHGL was used to process gigascale DNS data, performing compute-intensive calculations for data reduction and segmentation. Identified portions are then sent to HNX for both exploratory analysis and knowledge discovery targeting known tactics, techniques, and procedures.

Joslyn, Cliff A.↗

Vehicle Technologies’ Fact of the Week 2013

Each week the U.S. Department of Energy’s Vehicle Technology Office (VTO) posts a Fact of the Week on their website: http://www1.eere.energy.gov/vehiclesandfuels/ . These Facts provide statistical information, usually in the form of charts and tables, on vehicle sales, fuel economy, gasoline prices, and other transportation-related trends. Each Fact is a stand-alone page that includes a graph, text explaining the significance of the data, the supporting information on which the graph was based, and the source of the data. A link to the current week’s Fact is available on the VTO homepage, but older Facts are archived and still available at: http://www1.eere.energy.gov/vehiclesandfuels/facts/. This report is a compilation of the Facts that were posted during calendar year 2013. The Facts were written and prepared by staff in Oak Ridge National Laboratory's Center for Transportation Analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

IRIS-MEMFLOW: Data Flow-Enabled Portable Memory Orchestration in IRIS Runtime for Diverse Heterogeneity

Task-based programming models and execution paradigms provide a means to decompose a computation by expressing it as a graph in which each node represents a specific computation operating on memory objects and the edges define the dependencies in the execution flow. In this execution model, independent nodes in the graph can be executed concurrently in different computing devices, making it suitable for heterogeneous systems in which computing devices with different architectures coexist. However, careful memory orchestration across heterogeneous devices is needed because copies of the same memory object may reside in multiple devices during execution. Manually ensuring such an orchestration is quite challenging. Not only must an application developer guard against race conditions, but they must also optimize data movement between the host and devices because unnecessary data movement significantly impacts performance. To mitigate these challenges, we enhance the IRIS heterogeneous runtime and introduce IRIS-MEMFLOW–a data flow–enabled portable memory abstraction for seamlessly orchestrating memory in diverse heterogeneous computing environments. By using data-flow analysis, IRIS-MEMFLOW guards against race conditions while multiple heterogeneous devices access memory objects. IRIS-MEMFLOW also optimizes data movement between the host and devices without manual intervention. As a result, IRIS provides improved programming productivity, performance, and portability for multidevice heterogeneous executions in high-performance computing and cloud systems that run diverse architectures from different vendors. The efficacy of IRIS-MEMFLOW is evaluated through experiments that show its capability in terms of programming productivity, multidevice heterogeneity, portability, and low overhead versus the state of the art.

Monil, M. A. H. [ORNL] (ORCID:0000000334194037)↗

Reconstruction 3-dimensional image from 2-dimensional image of status optical coherence tomography (OCT) for analysis of changes in retinal thickness

Optical Coherence Tomography is often used in medical image acquisition to diagnose that change due easy to use and low price. Unfortunately, this type of examination produces a two-dimensional retinal image of the point of acquisition. Therefore, this study developed a method that combines and reconstruct 2-dimensional retinal images into three-dimensional images to display volumetric macular accurately. The system is built with three main stages: data acquisition, data extraction and 3-dimensional reconstruction. At data acquisition step, Optical Coherence Tomography produced six *.jpg images of each patient were further extracted with MATLAB 2010a software into six one-dimensional arrays. The six arrays are combined into a 3-dimensional matrix using a kriging interpolation method with SURFER9 resulting 3-dimensional graphics of macula. Finally, system provides three-dimensional color graphs based on the data distribution normal macula. The reconstruction system which has been designed produces three-dimensional images with size of 481 × 481 × h (retinal thickness) pixels.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Dynamic Hierarchical Attention Framework for Multimodal Malware Detection

The increasing use of Android in the worldwide mobile ecosystem has come along with a significant increase in advanced malware, highlighting the critical necessity for efficient, scalable, and adaptable detection systems. Despite recent advancements in machine learning improving malware detection, the majority of current solutions are limited to one, two, or three data modalities, hence neglecting the comprehensive behavioral spectrum of contemporary multi-vector threats. This thesis presents the first comprehensive multimodal framework for Android malware detection, which combines textual, time-series (temporal), graph-based (structural), and visual information using an innovative hierarchical attention mechanism and Dynamic Fusion Controller (DFC). Our methodology consistently classifies and processes modalities as either sequential or structural, facilitating content-adaptive weighting and resilient cross-modal representation learning. We advance the implementation of cutting-edge time series techniques, such as MiniRocket, for malware detection, hence creating new opportunities for temporal analysis in cybersecurity. Comprehensive experimental assessment shows that our framework performs exceptionally well, with 99.46% classification accuracy and 97.15% detection accuracy, significantly outperforming existing approaches through effective multimodal integration and hierarchical attention mechanisms.

Nazmin, Tamanna↗

Towards Efficient N - x Contingency Selection Using Group Betweenness Centrality

The goal of N -x contingency selection is to pick a subset of critical cases to assess their potential for causing a severe crippling of an electric power grid. Even for a moderate-sized system there can be an overwhelming number of contingency cases that need to be studied. The number grows exponentially with x. This combinatorial explosion renders any exhaustive search strategy computationally infeasible, even for small to medium sized systems. We propose a novel method for N- x selection for x >1 using group betweenness centrality and show that the amount of computation can be decoupled from the problem size, thus making the contingency analysis for large systems with x > 1 computationally feasible. Consequently, it may be that N - x (for x > 1) contingency selection can be effectively deployed despite the combinatorial explosion of the number of possible N - x contingencies. Our strategy replaces computation with storage of intermediate results and therefore relies on high performance computing resources.

Contingency analysis, Contingency selection, group↗

An Integrated Approach to Scaling Task-Based Runtime Systems for Next Generation Engineering problems

The need to scale next-generation industrial engineering problems to the largest computational platforms presents unique challenges. Such problems may have complex coupled multi-physics models, as well as computationally and communication intensive algorithms not often seen in standard academic problems, while also needing high-demand I/O for analysis purposes. In such cases even codes with good existing scaling properties may need significant changes, addressed in a cross-cutting way to solve such problems at extreme scales. These challenges relate to system components that were not previously problematic on less complex problems and/or at smaller computational scales. This paper illustrates these challenges for Uintah, a highly scalable asynchronous many-task runtime system being applied to the modeling of a 1000 MWe ultra-supercritical coal boiler. In order to model this formidable, production engineering problem, not only was an integrated approach needed that built upon existing scalable components in areas such as complex stencil calculations and linear algebra, but the significant challenges of high demand I/O, complex task graphs, and infrastructure inefficiencies also had to be addressed. This integrated approach allowed this problem to run on 256K CPU cores on Mira, with good weak scaling to 512K CPU cores and similar strong scaling, except for radiation. The need for strong scaling of a new ray tracing-based radiation model required substantial Uintah infrastructure improvements before 119K CPU cores and 7.5K GPUs on Titan could be used, with scaling out to 256K CPU cores and 16K GPUs. The resulting code demonstrates not only excellent overall scalability but a significant improvement in overall performance for the full-scale, production boiler problem.

97 MATHEMATICS AND COMPUTING↗

Geographic Information System Tools for Management of US DOE Sites - 13489

The DOE Office of Legacy Management (LM) uses a variety of GIS tools to support long-term surveillance and maintenance (LTS and M) activities at DOE closure sites. These geo-spatial applications provide access to data both for external public viewing and for internal analysis and decision making. LM uses a custom geo-spatial application called geo-spatial Environmental Mapping System (GEMS) that draws validated information from a database of 4.6 million analytical results and 232,000 water level measurements for 58 LTS and M sites. These data were collected from transferred sites over a period of 40 years. The database is used to capture and store historical environmental information such as analytical chemistry data, groundwater depths and elevations, well logs, well construction data, geo-referenced boundaries, site physical features, and sampling locations from LTS and M sites. Stakeholders, regulators, and project personnel can use this Web-based application and data to display information in several forms, such as a tabular report, a graph, and a geo-spatial display, or the data can be labeled or highlighted in a map view. Institutional controls, with their LTS and M requirements and documentation, have recently been incorporated into a prototype GEMS Web page for the Weldon Spring, Missouri, Site. LM uses multiple internal GIS viewers to help ensure the future protection of human health and the environment. For example, at the Rocky Flats, Colorado, Site, LM uses a GIS application to display real property interests on authoritative maps. Another project is used to facilitate discussions at stakeholder meetings for the Rocky Flats site's Original Landfill. The Uranium Leasing Program uses multiple interactive maps that assist in ongoing monitoring and the oversight of lease-holders' activities. (authors)

54 ENVIRONMENTAL SCIENCES↗

Flow Channeling in Fracture Networks: Characterizing the Effect of Density on Preferential Flow Path Formation

Flow channelization is a commonly observed phenomenon in fractured subsurface media where the flow of fluids is restricted primarily to highly transmissive fracture networks surrounded by a low-permeability rock matrix. The multiscale structural heterogeneity of these networks results in multiscale flow channelization where preferential flow paths form at length scales ranging from the entire system down to the subfracture size. We present an analysis of how one of the largest scales in fractured media, the network density, influences the degree of flow channeling that occurs using an ensemble of semigeneric three-dimensional discrete fracture network (DFN) simulations. We construct 10 DFNs, whose fracture lengths follow a power law distribution, at four densities for a total of 40 networks. We characterize their structure in terms of the network topology and geometry. Eulerian and Lagrangian observations of the steady-state flow fields obtained within the networks are used to quantify the degree of flow channelization at the network scale. We introduce a measure for the importance-ranking/hierarchy of different flow paths in the network using graph-based analysis of Lagrangian transport by which the degree of flow channeling between networks is compared. These flow observations are then linked to the structural properties of the networks. In general, network-scale flow channeling decreases as the network density increases. However, at low densities, there is more uniform flow within the entire connected network than in high-density networks. We also demonstrate how standard transport observables can be used to infer the degree of flow channelization occurring within a fracture network.

58 GEOSCIENCES↗

MCNP5 Calculations Replicating ARH-600 Nitrate Data

This report serves to extend the previous document: "MCNP Calculations Replicating ARH-600 Data" by replicating the nitrate curves found in ARH-600. This report includes the MCNP models used, the calculated critical dimension for each analyzed parameter set, and the resulting data libraries for use with the CritView code. As with the ARH-600 data, this report is not meant to replace the analysis of the fissile systems by qualified criticality personnel. The MCNP data is presented without accounting for the statistical uncertainty (although this is typically less than 0.001) or bias and, as such, the application of a reasonable safety margin is required. The data that follows pertains to the uranyl nitrate and plutonium nitrate spheres, infinite cylinders, and infinite slabs of varying isotopic composition, reflector thickness, and molarity. Each of the cases was modeled in MCNP (version 5.1.40), using the ENDF/B-VI cross section set. Given a molarity, isotopic composition, and reflector thickness, the fissile concentration and diameter (or thicknesses in the case of the slab geometries) were varied. The diameter for which k-effective equals 1.00 for a given concentration could then be calculated and graphed. These graphs are included in this report. The pages that follow describe the regions modeled, formulas for calculating the various parameters, a list of cross-sections used in the calculations, a description of the automation routine and data, and finally the data output. The data of most interest are the critical dimensions of the various systems analyzed. This is presented graphically, and in table format, in Appendix B. Appendix C provides a text listing of the same data in a format that is compatible with the CritView code. Appendices D and E provide listing of example Template files and MCNP input files (these are discussed further in Section 4). Appendix F is a complete listing of all of the output data (i.e., all of the analyzed dimensions and the resulting k eff values).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Verification, Validation, and Calibration Through a Causal Lens

While typical validation and verification approaches focus on identifying the associations between data elements using statistical and machine learning methods, the novel methods in this paper focus instead on identifying causal relationships between data elements. Statistical and machine-learning-based approaches are strictly data-driven, meaning that they provide quantitative comparison measures between data sets without explicitly considering the hypotheses behind them. This can lead to the erroneous conclusion that, if two data sets are close enough, the models that generated them are similar. In addition, when experimental and simulated data differ to an extent that fails to meet the acceptance criteria, calibration techniques are used to tweak simulation model parameters to reduce the gap between the two types of data. This produces the false expectation that a simulation model will match reality. The methods presented in this paper move away from these strictly data-driven methods for validation and calibration toward more robust, model-driven methods based on causal inference. Causal inference aims to identify the possible mechanisms that might have generated data. Thus, this analysis targets the prediction of the effects when one (or more) of the identified mechanisms are altered. There are many approaches to identify, quantify, and illustrate causal relationships. For the scope of this paper, directed graphs are employed as causal models. If the directed graph lacks cycles, it is known as a directed acyclic graph. A node in such a graph represents an observed data element while a directed edge connecting two nodes represents a causal relationship between two variables. The developed causal methods are designed to extract causal models from simulation models and experimental data. Causal models capture the causal relationships between data elements (e.g., simulated and experimental data). In this context, validation and verification are performed by comparing causal models. The proposed approach does not only inform system analysts on how a simulation model matches real-world data, but also identifies elements of the simulation model that should be revised when discrepancies between simulation and experimental data are observed. Through these causal methods, analysts can identify the portion of the model equation(s) that are behind an edge connecting two variables. Hence, once the structural differences between causal models have been determined, model calibration can occur by changing only those model parameters that impact the identified causal relationships.

97 MATHEMATICS AND COMPUTING↗

Trial Implementation of a Multihazard Risk Assessment Framework for High-Impact Low-Frequency Power Grid Events

The Pacific Northwest National Laboratory developed a risk framework for modeling high-impact, low-frequency power grid events to support risk-informed decisions. In this research article, we briefly recap the framework and demonstrate its implementation for seismic and geomagnetic hazards using a benchmark reliability test system. We describe integration of a collection of models implemented to perform hazard analysis, fragility evaluation, consequence estimation and post-event restoration. We demonstrate the value of the framework as a multi-hazard power grid risk assessment and management tool. The research will benefit transmission planners and emergency planners by improving their ability to maintain a resilient grid infrastructure against impacts from major events.

power grid, risk assessment, seismic hazard, dynam↗

Towards Effective Clustering Techniques for the Analysis of Electric Power Grids

Clustering is an important data analysis technique with numerous applications in the analysis of electric power grids. Standard clustering techniques are oblivious to the rich structural and dynamic information available for power grids. Therefore, by exploiting the inherent topological and electrical structure in the power grid data, we propose new methods for clustering with applications to model reduction, locational marginal pricing, phasor measurement unit (PMU or synchrophasor) placement, and power system protection. We focus our attention on model reduction for analysis based on time-series information from synchrophasor measurement devices, and spectral techniques for clustering. By comparing different clustering techniques on two instances of realistic power grids we show that the solutions are related and therefore one could leverage that relationship for a computational advantage. Thus, by contrasting different clustering techniques we make a case for exploiting structure inherent in the data with implications for several domains including power systems.

clustering, k-means, power grid, graphs↗

SU-C-304-02: Robust and Efficient Process for Acceptance Testing of Varian TrueBeam Linacs Using An Electronic Portal Imaging Device (EPID)

Purpose: The purpose of this project was to develop a process that utilizes the onboard kV and MV electronic portal imaging devices (EPIDs) to perform rapid acceptance testing (AT) of linacs in order to improve efficiency and standardize AT equipment and processes. Methods: In this study a Varian TrueBeam linac equipped with an amorphous silicon based EPID (aSi1000) was used. The conventional set of AT tests and tolerances was used as a baseline guide, and a novel methodology was developed to perform as many tests as possible using EPID exclusively. The developer mode on Varian TrueBeam linac was used to automate the process. In the current AT process there are about 45 tests that call for customer demos. Many of the geometric tests such as jaw alignment and MLC positioning are performed with highly manual methods, such as using graph paper. The goal of the new methodology was to achieve quantitative testing while reducing variability in data acquisition, analysis and interpretation of the results. The developed process was validated on two machines at two different institutions. Results: At least 25 of the 45 (56%) tests which required customer demo can be streamlined and performed using EPIDs. More than half of the AT tests can be fully automated using the developer mode, while others still require some user interaction. Overall, the preliminary data shows that EPID-based linac AT can be performed in less than a day, compared to 2–3 days using conventional methods. Conclusions: Our preliminary results show that performance of onboard imagers is quite suitable for both geometric and dosimetric testing of TrueBeam systems. A standardized AT process can tremendously improve efficiency, and minimize the variability related to third party quality assurance (QA) equipment and the available onsite expertise. Research funding provided by Varian Medical Systems. Dr. Sasa Mutic receives compensation for providing patient safety training services from Varian Medical Systems, the sponsor of this study.

07 ISOTOPE AND RADIATION SOURCES↗