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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

User Role Identification in Software Vulnerability Discussions over Social Networks

Understanding and early awareness of software vulnerabilities is vital for preventing and mitigating potential impacts from cybersecurity events. One step toward early characterization of software vulnerabilities may involve analyzing discussion and spread of information in online social networks. Prior work has used information from such discussions over multiple online forums to develop dynamic networks among users followed by analysis of structure, spread, and information evolution. In this work, we advance the state-of-the-art by focusing on data-driven learning of types, roles, and transition of roles exhibited by users over time. In social networks, users take on particular roles based on their actions and structure of the network. Identifying “meaningful” roles can help separate potential users of interest from the larger community, and identify patterns in a network. We will identify and compare roles found in online forums (e.g., Twitter) using techniques such as feature-based Non-negative Matrix Factorization coupled with topological and influence-based measures of centrality. Since users’ activities change over time, we also analyze role evolution in dynamic networks.

Jones, Rebecca D.↗
DOE OSTI2021

Secondary Crash Identification using Crowdsourced Waze User Reports

Secondary crashes are crashes that occur as a result of the nonrecurrent congestion originating from primary crashes, and always have a greater impact on safety and traffic than a single crash. A better understanding of secondary crashes would benefit traffic incident management, and this requires accurate identification of secondary crashes. This study explores using crowdsourced Waze user reports to identify secondary crashes. Here, a network-based clustering algorithm is proposed to extract the primary crash cluster, including all user reports originating from the primary crash, and any crash that occurred within the cluster would be a secondary crash. This method works as a filter to select accurate primary–secondary relationships, thus precisely identifying secondary crashes. A case study is performed with crashes occurring from June to December 2019 on a 30-mi stretch of I-40 in Knoxville, TN. A static threshold method (crash duration and 10 mi) was used to preselect the potential primary–secondary crash pairs, and 75 out of 708 crashes were identified as potential secondary crashes. Based on the preselected primary–secondary crash pairs, 17 secondary crashes were obtained with the proposed method and the results were compared with one of the commonly used methods, the speed contour plot method. Though the proposed method captured fewer secondary crashes, it did identify several secondary crashes that could not be observed with the speed contour plot method. The results showed the applicability of the method and the potential of crowdsourced Waze user reports in secondary crash identification.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Facial Named Entity Recognition by Attention-Based Graph Convolutional Neural Network

In the realm of facial recognition and analysis, the ability to accurately cluster large datasets of facial images stands as a cornerstone for various applications, ranging from security surveillance to user biometric identification. This project evolves a novel approach to facial data clustering by embedding facial images into a high-dimensional vector space using an advanced embedding model trained on separate data and assumes a graph-like structure on the high-dimensional vectors. We find our method works significantly better than common shallow methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Small Modular Reactors in Canada: Planning for Waste from the Outset - 19254

Canada is exploring the potential for on- and off-grid applications for small modular reactors (SMRs). SMRs are at an early stage of development and a road-mapping process was launched in Canada in February 2018 to better understand the views on priorities and challenges related to the possible development and deployment of SMRs. In addition to engaging partners, stakeholders and Indigenous representatives through workshops, a number of working groups were formed to advise the Road-map Secretariat on topics such as understanding the value proposition of different SMR technologies, matters associated with regulatory readiness, and issues related to waste management and transportation. The Waste Working Group (Waste WG) brought together experts from current nuclear waste generators, the organization responsible for managing Canada's nuclear fuel waste, government, and the regulator to identify waste disposal and storage considerations for Canadian SMR applications, including an analysis of waste streams, waste transportation, short and long-term disposal and storage requirements, and decommissioning considerations. Radioactive waste has been safely managed within a regulatory framework in Canada for decades. Technologies for waste storage and transport exist and also have been in use for decades, and therefore provide a technical basis to explore any specific differences that would apply to waste streams resulting from the construction, operation and decommissioning of SMRs. The Waste WG concluded that a disposal path for SMR used fuel exists through the Nuclear Waste Management Organisation's (NWMO) Adaptive Phased Management (APM) approach, but that R and D work is needed to demonstrate that SMR waste can meet the acceptance criteria. The Waste WG noted that although projects are progressing to realize disposal facilities for the two largest producers of low and intermediate level waste, small producers including potential SMR operators currently have no defined path to disposal for low and intermediate level waste. The Waste WG also highlighted that there could be potential logistical challenges with the transportation of irradiated reactor cores, in particular for remote locations, which will need to be explored. The Waste WG recognized that some uncertainties remain, and early and open communication and coordination between the SMR developers and the NWMO, and potential waste receivers will be key to ensuring a robust framework for SMR waste management from the outset in Canada. This paper explores the results of the analysis and the key findings, high-level recommendations and actions of the Waste WG. It presents the results of the Waste WG's analysis of waste categories against Canadian SMR technologies that best align to end-user requirements; identification of key gaps in research and development for waste categories; and identification of potential work that could address the key gaps. The Waste WG undertook its work between February and August 2018. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Automatic Traffic Queue-End Identification using Location-Based Waze User Reports

Traffic queues, especially queues caused by non-recurrent events such as incidents, are unexpected to high-speed drivers approaching the end of queue (EOQ) and become safety concerns. Though the topic has been extensively studied, the identification of EOQ has been limited by the spatial-temporal resolution of traditional data sources. This study explores the potential of location-based crowdsourced data, specifically Waze user reports. It presents a dynamic clustering algorithm that can group the location-based reports in real time and identify the spatial-temporal extent of congestion as well as the EOQ. The algorithm is a spatial-temporal extension of the density-based spatial clustering of applications with noise (DBSCAN) algorithm for real-time streaming data with an adaptive threshold selection procedure. Here, the proposed method was tested with 34 traffic congestion cases in the Knoxville, Tennessee area of the United States. It is demonstrated that the algorithm can effectively detect spatial-temporal extent of congestion based on Waze report clusters and identify EOQ in real-time. The Waze report-based detection are compared to the detection based on roadside sensor data. The results are promising: The EOQ identification time of Waze is similar to the EOQ detection time of traffic sensor data, with only 1.1 min difference on average. In addition, Waze generates 1.9 EOQ detection points every mile, compared to 1.8 detection points generated by traffic sensor data, suggesting the two data sources are comparable in respect of reporting frequency. The results indicate that Waze is a valuable complementary source for EOQ detection where no traffic sensors are installed.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2019

P Finder

P Finder is written in C# and has been tested in multiple 64-bit Windows environments (Windows 7/8/Vista). It has a user-friendly graphical user interface (GUI) that allows for intuitive RNase P RNA identification and/or annotation. The user can select from four search criteria including the use multiple threads. In addition, the user can determine what display data they wish to incorporate in the output such as: bitscore, E-value, percent ID, start location, end location, the strand in which the sequence is located, and of course the sequence itself. P Finder is the only available algorithm that is capable of not only identifying the RNase P RNA for annotation but also differentiating among the five different RNase P RNA structural types (A, B, C, M, and T) with the option to select these data types for display in the final output.

Ellis, JosephC↗
DOE OSTI2025

sourcePy

Pollutant source identification techniques (of which there are many variations) are either locked behind researchers writing their own code for each use case or GUI platforms that are easy to use but inflexible and opaque. The Python package sourcePy brings together many of the pollutant source identification algorithms, giving the user full control out of the box. It aims to create a platform for source identification experiments where the full analysis from beginning to end can be done in Python, with a level of specificity in design that isn't available in the GUI options. sourcePy provides users with a few key features: -A Python interface with HYSPLIT, which can be used to generate trajectories and concentration plumes -Several Python classes which standardize the preparation and processing of data related to source identification experiments -Example scripts and notebooks that allow even new python users to get started with their own experiments quickly -Visualization methods

Arseneau, Isaac [Oak Ridge National Laboratory (OR↗
DOE OSTI2018

A Visual Analytics Framework for the Detection of Anomalous Call Stack Trees in High Performance Computing Applications

Anomalous runtime behavior detection is one of the most important tasks for performance diagnosis in High Performance Computing (HPC). Most of the existing methods find anomalous executions based on the properties of individual functions, such as execution time. However, it is insufficient to identify abnormal behavior without taking into account the context of the executions, such as the invocations of children functions and the communications with other HPC nodes. We improve upon the existing anomaly detection approaches by utilizing the call stack structures of the executions, which record rich temporal and contextual information. With our call stack tree (CSTree) representation of the executions, we formulate the anomaly detection problem as finding anomalous tree structures in a call stack forest. The CSTrees are converted to vector representations using our proposed stack2vec embedding. Structural and temporal visualizations of CSTrees are provided to support users in the identification and verification of the anomalies during an active anomaly detection process. Furthermore, three case studies of real-world HPC applications demonstrate the capabilities of our approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

BMC Caller: a webtool to identify and analyze bacterial microcompartment types in sequence data

Bacterial microcompartments (BMCs) are protein-based organelles found across the bacterial tree of life. They consist of a shell, made of proteins that oligomerize into hexagonally and pentagonally shaped building blocks, that surrounds enzymes constituting a segment of a metabolic pathway. The proteins of the shell are unique to BMCs. They also provide selective permeability; this selectivity is dictated by the requirements of their cargo enzymes. We have recently surveyed the wealth of different BMC types and their occurrence in all available genome sequence data by analyzing and categorizing their components found in chromosomal loci using HMM (Hidden Markov Model) protein profiles. To make this a “do-it yourself” analysis for the public we have devised a webserver, BMC Caller (https://bmc-caller.prl.msu.edu), that compares user input sequences to our HMM profiles, creates a BMC locus visualization, and defines the functional type of BMC, if known. Shell proteins in the input sequence data are also classified according to our function-agnostic naming system and there are links to similar proteins in our database as well as an external link to a structure prediction website to easily generate structural models of the shell proteins, which facilitates understanding permeability properties of the shell. Additionally, the BMC Caller website contains a wealth of information on previously analyzed BMC loci with links to detailed data for each BMC protein and phylogenetic information on the BMC shell proteins. Our tools greatly facilitate BMC type identification to provide the user information about the associated organism’s metabolism and enable discovery of new BMC types by providing a reference database of all currently known examples.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Multi-factor authentication using quantum communication

Multi-factor authentication using quantum communication ("QC") includes stages for enrollment and identification. For example, a user enrolls for multi-factor authentication that uses QC with a trusted authority. The trusted authority transmits device factor information associated with a user device (such as a hash function) and user factor information associated with the user (such as an encrypted version of a user password). The user device receives and stores the device factor information and user factor information. For multi-factor authentication that uses QC, the user device retrieves its stored device factor information and user factor information, then transmits the user factor information to the trusted authority, which also retrieves its stored device factor information. The user device and trusted authority use the device factor information and user factor information (more specifically, information such as a user password that is the basis of the user factor information) in multi-factor authentication that uses QC.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2019

Software Requirement Document: Benchmarking Algorithms for RadioNuclide Identification (BARNI)

The Department of Energy (DOE) Office of Nuclear Smuggling Detection and Deterrence (NSDD) seeks to improve the performance of RadioIsotope Identification Devices (RIIDs). RIIDs enable users to identifying threat nuclides in applications such as secondary search, facility inspection, and emergency response. As part of this effort NSDD has developed Replicative Assessment of Spectroscopic Equipment (RASE), an open-source tool which generates synthetic spectra and analyzes them with vendor’s radionuclide identification software in order to evaluate performance.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

Combined Experimental and Computational Efforts to Establish Ion Mobility, Solubility and Stability of Functional Liquids for Electrochemical Energy Storage

This work provides a computation-driven investigation of the stability of organic electrolytes for lithium-air batteries. Electrolyte instability is currently a key challenge that limits practical use of aprotic Li-air batteries, and the chemical processes that cause this instability are often kinetically-driven. Computational screening for kinetic stability involves the determination of reaction barriers for the numerous potential reaction mechanisms, barriers that are challenging to calculate due to the difficulty of locating transition state structures. Here we screen a broad set of substituted electrolytes for susceptibility to nucleophilic attack by superoxide. We find that carbonates are not typically expected to be stable and that sulfones are generally stable, validating literature trends. We study the effects of chemical functionalization with electron-donating and withdrawing groups and their interplay with steric factors, identifying functional groups and other chemical modifications that increase stability in these groups. User-input driven transition state identification is used for these initial calculations, and an automated computational pipeline is subsequently presented and validated as a means to perform further high-throughput searches across mechanisms and chemistries. The pipeline integrates cheminformatics-based reaction encoding, relaxed potential energy scans, and nudged elastic band calculations for an end-to-end approach to barrier calculations. We review this automated search approach and its current limitations, and discuss challenges and further work.

25 ENERGY STORAGE↗
DOE OSTI2024

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗
DOE OSTI2024

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗
DOE OSTI2021

Advances in scientific literature mining for interpreting materials characterization

Abstract Using synchrotron light sources, such as the National Synchrotron Light Source II at Brookhaven National Laboratory, scientists in fields as diverse as physics, biology, and materials science, identify the atomic structure, chemical composition, or other important properties of varied specimens. x-ray spectroscopy from light sources is particularly valuable for materials research with vast information available about reference spectra in the scientific literature. However, as the technique is applicable to many science domains, searching for information about select x-ray spectroscopy spectra is impeded by the sheer number of publications. Moreover, useful information about the context of an experiment or figures presented in papers can be buried among the details, which takes time to assess. This work presents a scientific literature mining system that supports data acquisition, information extraction, and user interaction for referencing x-ray spectra identification and spectral interpretation. The goal is to provide efficient access to useful spectral data to researchers who may spend only a few days at a synchrotron light source. With this system, users browse a classification tree for papers arranged according to x-ray spectroscopic methods, chemical elements, and x-ray absorption spectroscopy edges. Relevant figures are extracted with sentences from the paper that explain them, known as ‘figure explanatory text.’ Notably, this system focuses on semantic aspects (logical analysis) to find figure explanatory text using deep contextualized word embeddings techniques and contains an interface to obtain labeled data from domain experts that is used to evaluate and improve the model.

Park, Gilchan (ORCID:0000000201536646)↗
DOE OSTI2025

WigglyRivers: A tool to characterize the multiscale nature of meandering channels

Channel sinuosity is ubiquitous along river networks, producing complex patterns that encapsulate and influence morphodynamic processes and ecosystem services. Accurately characterizing these patterns is challenging with traditional curvature-based algorithms. Here, in this study, we present WigglyRivers, a Python package that builds on existing wavelet-based methods to create an unsupervised meander identification and characterization tool. The package uses planimetric information the user provides or from the USGS’s High-Resolution National Hydrography Dataset to characterize individual reaches or entire river networks. WigglyRivers also includes a supervised river identification tool for manually selecting individual meandering features. Here, we provide examples of idealized river transects and show the capabilities of WigglyRivers. We also use the supervised identification tool to validate the unsupervised identification on river transects across the continental US. WigglyRivers is a tool to understand better the multiscale characteristics of river networks and the link between river geomorphology and river corridor connectivity.

54 ENVIRONMENTAL SCIENCES↗