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DOE OSTI2014

Relative role of motion and PSF compensation in whole-body oncologic PET-MR imaging

Purpose: Respiratory motion and partial-volume effects are the two main sources of image degradation in whole-body PET imaging. Simultaneous PET-MR allows measurement of respiratory motion using MRI while collecting PET events. Improved PET images may be obtained by modeling respiratory motion and point spread function (PSF) within the PET iterative reconstruction process. In this study, the authors assessed the relative impact of PSF modeling and MR-based respiratory motion correction in phantoms and patient studies using a whole-body PET-MR scanner. Methods: An asymmetric exponential PSF model accounting for radially varying and axial detector blurring effects was obtained from point source acquisitions performed in the PET-MR scanner. A dedicated MRI acquisition protocol using single-slice steady state free-precession MR acquisitions interleaved with pencil-beam navigator echoes was developed to track respiratory motion during PET-MR studies. An iterative ordinary Poisson fully 3D OSEM PET reconstruction algorithm modeling all the physical effects of the acquisition (attenuation, scatters, random events, detectors efficiencies, PSF), as well as MR-based nonrigid respiratory deformations of tissues (in both emission and attenuation maps) was developed. Phantom and{sup 18}F-FDG PET-MR patient studies were performed to evaluate the proposed quantitative PET-MR methods. Results: The phantom experiment results showed that PSF modeling significantly improved contrast recovery while limiting noise propagation in the reconstruction process. In patients with soft-tissue static lesions, PSF modeling improved lesion contrast by 19.7%–109%, enhancing the detectability and assessment of small tumor foci. In a patient study with small moving hepatic lesions, the proposed reconstruction technique improved lesion contrast by 54.4%–98.1% and reduced apparent lesion size by 21.8%–34.2%. Improvements were particularly important for the smallest lesion undergoing large motion at the lung-liver interface. Heterogeneous tumor structures delineation was substantially improved. Enhancements offered by PSF modeling were more important when correcting for motion at the same time. Conclusions: The results suggest that the proposed quantitative PET-MR methods can significantly enhance the performance of tumor diagnosis and staging as compared to conventional methods. This approach may enable utilization of the full potential of the scanner in oncologic studies of both the lower abdomen, with moving lesions, as well as other parts of the body unaffected by motion.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2020

Waste Management Project Success - Regulatory Assurance Systems - 20118

Waste management (WM) and remediation projects are essential within a restorative environmental culture. Despite years of experience, challenges and obstacles associated with efficient and effective WM project execution remain. Although some obstacles are project specific, a common challenge is navigating the regulatory landscape from planning through execution, particularly with first of a kind (FOAK) and first in a while (FIAW) projects. The absence of a comprehensive regulatory assurance strategy places significant hurdles in the path of project success. To clear a path for the successful execution of increasingly complex WM projects, this paper focuses on development of a comprehensive regulatory assurance strategy and implementation plan that effectively engages stakeholders, agencies, and performers to produce project plans that fully and cost effectively integrate applicable regulatory requirements. The most reliable way to align regulatory processes and decisions needed for mission success is through a regulatory assurance system. This system establishes a healthy interface with regulatory decision makers, to work in a collaborative manner, to create a common vision for regulatory decisions on an agreed upon schedule. A regulatory assurance system consists of several elements. Although the mission may vary from cleanup to site closure to nuclear component production, the elements of a regulatory assurance system remain essentially constant and must include: 1) identifying a common vision or end state, 2) developing a long-term, integrated strategy and schedule, 3) establishing a regulatory partnering team consisting of key decision-makers, 4) regular and frequent communication with decision-makers, 5) ensuring consistent surveillance for early identification of issues and changes that may impact the project, 6) quick resolution of emerging issues to prevent schedule impact, 7) identifying core compliance functions, 8) periodically assessing progress of the project as it relates to regulatory assurance and, 9) providing constructive feedback to improve the process. A regulatory assurance system provides a living, multi-faceted approach to planning, visioning, communicating and tracking to avoid surprises and ensure smooth and timely progress to the project. The overall success measures will be whether the system produces common sense regulatory decisions supporting the vision on time without appeal. Effective regulatory frameworks rarely happen on their own. Balanced, common-sense regulatory decisions stem from teams that are trained to work together to achieve shared goals. In this paper, particular attention is placed on the importance of starting with a shared vision for a regulatory assurance and execution strategy that leverages experience to establish optimal approaches. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2014

Ion Production and Transport in Atmospheric Pressure Ion Source Mass Spectrometers (Final Report)

This document is the final report on a project that focused in the general theme of atmospheric-pressure ion production and transport for mass spectrometry. Within that general theme there were two main projects: the fundamental study of the transport of elemental ions through the vacuum interface of an inductively coupled plasma mass spectrometer (ICPMS), and fundamental studies of the ionization mechanisms in ambient desorption/ionization (ADI) sources for molecular mass spectrometry. In both cases the goal was to generate fundamental understanding of key instrumental processes that would lead to the development of instruments that were more sensitive and more consistent in their performance. The emphasis on consistency derives from the need for instruments that have the same sensitivity, regardless of sample type. In the jargon of analytical chemistry, such instruments are said to be free from matrix effects. In the ICPMS work each stage of ion production and of ion transport from the atmospheric pressure to the high-vacuum mass analyzer was studied. Factors controlling ion transport efficiency and consistency were identified at each stage of pressure reduction. In the ADI work the interactions between an electrospray plume and a fluorescent sample on a surface were examined microscopically. A new mechanism for analyte ion production in desorption electrospray ionization (DESI) was proposed. Optical spectroscopy was used to track the production of reactive species in plasmas used as ADI sources. Experiments with mixed-gas plasmas demonstrated that the addition of a small amount of hydrogen to a helium ADI plasma could boost the sensitivity for some analytes by over an order of magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

How Water Attacks MXene

Two-dimensional (2D) transition metal carbides and nitrides (MXenes) have shown outstanding performances in electrochemical energy storage and many other applications. However, the stability of MXene remains a concern, especially its quick degradation in aqueous solutions under ambient conditions. Here, we report on the water/Ti 3 C 2 O 2 -MXene interfacial chemistry from first-principles molecular dynamics simulations at room temperature. Surprisingly, we find that the water molecules can attack the basal plane of Ti 3 C 2 O 2 and pull the surface Ti atoms out, thereby reconstructing the surface. Further, by tracking close encounters of water molecules and surface Ti atoms on the basal plane of Ti 3 C 2 O 2 , we show that the attack is initiated by the chemisorption of a water molecule on a surface Ti atom, followed by the breaking of Ti–C bonds and deprotonation of the water molecule, leading to the formation of Ti–OH on the Ti 3 C 2 O 2 surface and a hydronium ion in the aqueous phase. Our finding highlights the susceptibility of Ti 3 C 2 O 2 MXene to water attack, supporting recent experimental observations. Furthermore, we demonstrate that preventing close encounters of water molecules and the surface Ti atoms is key to the stability of the basal plane and can be realized by negatively charging the surface (thereby reorienting the O atoms of water away from the surface) or converting the surface O to -OH groups (thereby shifting the water layer further away from the surface). Our insights and approach highlight the importance of the reactivity of water when interfacing with 2D materials such as MXenes.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Phase Transformations among TiO2 Polymorphs

Polymorphs widely exist in nature and synthetic systems and are well known to determine material properties. Understanding phase transformation mechanisms among polymorphs enables the design of structures and tuning of phases to tailor material properties. However, current understanding is limited due to the lack of direct observations that track the processes and the structural evolution is not known at atomic scale. Here, integrating (semi) in situ transmission electron microscopy and density functional theory, we report atomic structural evolutions of phase transformation from anatase (A) to rutile (R), brookite (B), R-phase, and TiO. Besides the consistent paths with previous reports, we discover several unreported paths, including a [001] direction and (020) plane of anatase to [100]A and (011)R of rutile, respectively, ( , ) and , . Density functional theory analysis elucidates atomic structural evolution during the processes and over 16% of Ti-O bonds break and reform during the processes with energy barriers of ~0.7-1.0 eV per TiO2 formula unit. Under electron-beam irradiation, anatase particles transform into TiO2-R phase or TiO at high or room temperature, respectively. We also reveal the anisotropic nature of electron-beam effect, which is seldom discussed: dependence of crystallographic orientation with respect to electron-beam irradiation direction. Understanding the atomic structural evolution sheds light on interpreting and controlling TiO2 polymorphs and interface structures for various applications. The revealed electron-beam effects in our work provide guidance for in situ transmission electron microscopy studies.

Song, Miao↗

DOE OSTI2022

Procedure Parsing: A Method for Parsing Handwritten Documents into Computer-Based Procedures

The nuclear industry is heavily procedure driven, where almost everything has a step-by-step instruction that is expected to be followed in detail. Historically, these procedures were printed on paper copies. Recently, the industry transitioned towards electronic copies (i.e., PDFs on tablets). One major drive for this transition is the introduction of human error and loss of situation awareness when using paper copies. However, electronic copies of documents inherently have the same error traps as their paper cousins. Therefore, there is an increased interest in a way to utilize the information in the step-by-step guidance, but to present it in a dynamic manner that guides the user and adapts to any encountered conditions. Researchers at Idaho National Laboratory propose a flexible, automated method based on document parsing and augmented by natural language processing (NLP) techniques, to address these shortcomings and capitalize on these recent advancements in machine learning. The proposed method provides a cost-effective solution for computer-assisted procedure parsing of hand-written control room procedures, originally authored in Word or PDF formats, into instructions that can be displayed as computer-based procedures (CBP) in a modern graphical user interface. The researchers devised, implemented and demonstrated the Operating Procedure Extender for Novel Systems (OPENS) method in 2020. The key to OPENS is to map the original procedure text into a context-free grammar, tying content to equipment, locations, and other steps, actions, etc. This formal grammar is then used to isolate and define keywords and actions verbs, such as “measure” or “evaluate” and tie them to specific equipment referenced within that step or located in other steps, substeps, actions, subactions and tables throughout the procedure. OPENS generates an abstract syntax tree from the document which it uses to store a copy of this information in the open-standard, machine-readable and human-readable file formats XML and JSON. The XML is useful to preserve the relational aspects of the procedure for referencing tables and branching information so the user can be directed to the next appropriate active step based on the values entered for that step and previous steps. The JSON is useful for storing and exchanging data objects used to track responses to previous steps and state changes in simulated environments. In future iterations, these formats can also be used for storing more detailed information about input during plant operation or simulation. The techniques the researcher developed could further be improved by integration of recent advancements in machine learning. NLP methods could standardize documents, correct for grammatical error, and provide automated semantic validation. The researcher expects that self-supervised techniques applied to collections of natural language instructions could strengthen the model with broader context. All these methods together give us a practical way to automatically extract protocols from documents and user interactions, empowering researchers, procedure writers and nuclear operators while moving the industry forward.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2019

Measurement of the production of charm jets tagged with D 0 mesons in pp collisions at $\sqrt{\mathrm{s}}=7$ TeV

The production of charm jets in proton-proton collisions at a center-of-mass energy of $\sqrt{\mathrm{s}}=7$ TeV was measured with the ALICE detector at the CERN Large Hadron Collider. The measurement is based on a data sample corresponding to a total integrated luminosity of 6.23 nb -1 , collected using a minimum-bias trigger. Charm jets are identified by the presence of a D 0 meson among their constituents. The D 0 mesons are reconstructed from their hadronic decay D 0 → $K^-π^+$. The D 0 -meson tagged jets are reconstructed using tracks of charged particles (track-based jets) with the anti-$k$ T algorithm in the jet transverse momentum range 5 < p T , j e t c h 30 GeV/ c and pseudorapidity |$η$ jet | < 0.5. The fraction of charged jets containing a D 0 -meson increases with p T , j e t c h from 0.042 ± 0.004 (stat) ± 0.006 (syst) to 0.080 ± 0.009 (stat) ± 0.008 (syst). The distribution of D 0 -meson tagged jets as a function of the jet momentum fraction carried by the D 0 meson in the direction of the jet axis ( z ∥ c h ) is reported for two ranges of jet transverse momenta, 5 < p T , j e t c h < 15 GeV/ c and 15 < p T , j e t c h < 30 GeV/ c in the intervals 0.2 < z ‖ c h < 1.0 and 0.4 < z ‖ c h < 1.0 respectively. The data are compared with results from Monte Carlo event generators (PYTHIA 6, PYTHIA 8 and Herwig 7) and with a Next-to-Leading-Order perturbative Quantum Chromodynamics calculation, obtained with the POWHEG method and interfaced with PYTHIA 6 for the generation of the parton shower, fragmentation, hadronisation and underlying event.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

SU-E-T-258: Development of a New Patient Set-Up Monitoring System Using Force Sensing Resistor (FSR) Sensor for the Radiation Therapy

Purpose: The purpose of this work is to develop a new patient set-up monitoring system using force sensing resistor (FSR) sensors that can confirm pressure of contact surface and evaluate its feasibility. Methods: In this study, we focused on develop the patient set-up monitoring system to compensate for the limitation of existing optical based monitoring system, so the developed system can inform motion in the radiation therapy. The set-up monitoring system was designed consisting of sensor units (FSR sensor), signal conditioning devices (USB cable/interface electronics), a control PC, and a developed analysis software. The sensor unit was made by attaching FSR sensor and dispersing pressure sponge to prevent error which is caused by concentrating specific point. Measured signal from the FSR sensor was sampled to arduino mega 2560 microcontroller, transferred to control PC by using serial communication. The measured data went through normalization process. The normalized data was displayed through the developed graphic user interface (GUI) software. The software was designed to display a single sensor unit intensity (maximum 16 sensors) and display 2D pressure distribution (using 16 sensors) according to the purpose. Results: Changes of pressure value according to motion was confirmed by the developed set-up monitoring system. Very small movement such as little physical change in appearance can be confirmed using a single unit and using 2D pressure distribution. Also, the set-up monitoring system can observe in real time. Conclusion: In this study, we developed the new set-up monitoring system using FSR sensor. Especially, we expect that the new set-up monitoring system is suitable for motion monitoring of blind area that is hard to confirm existing optical system and compensate existing optical based monitoring system. As a further study, an integrated system will be constructed through correlation of existing optical monitoring system. This work was supported by the Industrial R&D program of MOTIE/KEIT. [10048997, Development of the core technology for integrated therapy devices based on real-time MRI guided tumor tracking] and the Mid-career Researcher Program (2014R1A2A1A10050270) through the National Research Foundation of Korea funded by the Ministry of Science, ICT&Future Planning.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Machine learning for detection of 3D features using sparse x-ray tomographic reconstruction

In many inertial confinement fusion (ICF) experiments, the neutron yield and other parameters cannot be completely accounted for with one and two dimensional models. This discrepancy suggests that there are three dimensional effects that may be significant. Sources of these effects include defects in the shells and defects in shell interfaces, the fill tube of the capsule, and the joint feature in double shell targets. Due to their ability to penetrate materials, x rays are used to capture the internal structure of objects. Methods such as computational tomography use x-ray radiographs from hundreds of projections, in order to reconstruct a three dimensional model of the object. In experimental environments, such as the National Ignition Facility and Omega-60, the availability of these views is scarce, and in many cases only consists of a single line of sight. Mathematical reconstruction of a 3D object from sparse views is an ill-posed inverse problem. These types of problems are typically solved by utilizing prior information. Neural networks have been used for the task of 3D reconstruction as they are capable of encoding and leveraging this prior information. We utilize half a dozen, different convolutional neural networks to produce different 3D representations of ICF implosions from the experimental data. Deep supervision is utilized to train a neural network to produce high-resolution reconstructions. These representations are used to track 3D features of the capsules, such as the ablator, inner shell, and the joint between shell hemispheres. Machine learning, supplemented by different priors, is a promising method for 3D reconstructions in ICF and x-ray radiography, in general.

Wolfe, Bradley T. (ORCID:0000000268301614)↗

DOE OSTI2022

Photo-Induced Charge Transfer of Fullerene and Non-Fullerene Conjugated Polymer Blends via Ab Initio Excited-State Dynamics

Organic conjugated polymers (CPs) are promising candidates for organic photovoltaic (OPV) devices due to their unique tunable mechanical and optoelectronic performance. Over the last decade, optoelectronic properties of narrow band gap CPs as a blend with acceptor units are largely optimized, which leads to noticeable progress in OPV technology. However, their power conversion efficiency is still lower than their organic counterparts (i.e., silicon), limiting their practical usage. In this study, we employ ab initio molecular dynamics to explore photo-induced charge transfer (CT) of the diketopyrrolopyrrole-based polymer as a blend with non-fullerene (i.e., ITIC) and fullerene (i.e., PCBM) acceptor units. The results of charge carrier dynamics induced by selected photoexcitation show that hole density redistribution in space is much faster than electron relaxation. We track the relaxation rates of charge carriers over time, where the derivative of the difference between the rate of electron and hole implies the current density at zero voltage. Furthermore, this can be utilized to characterize the CT performance of CPs blended with different acceptor units. Relaxation rate results indicate that CP blend with ITIC promises a better PV performance, illustrating that the current computational approach opens the door to determine bulk heterojunctions’ electronic performance for OPV devices and narrowing down the list of potential donor–acceptor candidates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2013

A Comprehensive Solution for Managing TRU and LLW From Generation to Final Disposition - 13205

A LANL multi-disciplinary team faced the challenge of building and delivering a waste information system capable of managing radioactive, hazardous, and industrial waste from cradle to grave. The result is the Waste Compliance and Tracking System (WCATS) a flexible, adaptive system that has allowed LANL to consolidate its legacy applications into one system, and leverage the advantages of managing all waste types within a single scalable enterprise application. Key functionality required for robust waste operations, include: waste characterization, waste identification, transportation, inventory management, waste processing, and disposal. In order to maintain data quality, field operations such as waste identification, surveillance checklists, wall-to-wall inventory assessments, waste transfers, shipment pickup and receipt, and simple consolidation operations are captured by the operator or technician using mobile computers. Work flow is managed via end-user defined work paths, to ensure that unit operations are performed in the correct order. Regulatory compliance reports and algorithms are provided to support typical U.S. EPA, DOT, NRC, and DOE requirements, including the EPA hazardous waste manifest, NRC LLW manifest, DOE nuclear material at risk, RCRA TSDF inventory rules, and so forth. The WCATS application has allowed LANL to migrate and consolidate its disparate legacy applications. The design and implementation is generalized so that facility owners can customize the user interface, setup facilities and unit operations (i.e., treatment, storage, disposal, characterization, and administrative), define inventory compliance rules, and establish custom work flow requirements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

Combinatorial appraisal of transition states for in situ pair distribution function analysis

In situ total scattering measurements are increasingly utilized to follow atomic and nanoscale structural details of phase transitions and other transient processes in materials. This contribution presents an automated method and associated tool set to analyze series of diffraction and pair distribution function data with a linear combination of end-member states. It is demonstrated that the combinatorial appraisal of transition states (CATS) software tracks phase changes, relative phase fractions and length scales of interest in experimental data series. Here it is further demonstrated, using a series of local structure data simulations, that the misfit of such a model can reveal details of phase aggregation and growth related to the pair distribution function's sensitivity to interphase correlations. CATS may be applied to quantitative evaluation of many transient processes, including amorphous-to-crystalline phase transitions, the evolution of solid-solution behaviors, the precipitation and growth of aggregates, and other atomic to nanoscale details of crystallization and phase transformation phenomena.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Evaluation of Control Room Interface Designs to Support Modernization in Nuclear Power Plants

Control room modernization in the commercial nuclear power industry often takes the form of phased system-by-system upgrades that result in hybrid control rooms with digital and analog equipment. Ensuring that these upgrades results in enhanced human performance and more intuitive interfaces, researchers at INL have been supporting the design of upgraded systems in coordination with a large scale modernization effort at a partner utility. This report describes the experimental evaluation of a liquid radiological waste control room concept which investigated the use of color in system overview screens. The results indicated that maintaining existing color conventions to indicate component status yielded no benefit and in some cases caused a detriment to performance. The researchers recommended using a minimal muted color in overview screens, but advocated using color to enhance understanding of different flow paths and using saturated color to highlight abnormal operating states.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2015

Ultra-secure RF Tags for Safeguards and Security - SBIR Phase II Final Report

This is the Final Report for the DOE Phase II SBIR project “Ultra-secure RF Tags for Safeguards and Security.” The topics covered herein include technical progress made, progress against the planned milestones and deliverables, project outcomes (results, collaborations, intellectual property, etc.), and a discussion on future expectations of deployment and impacts of the results of this work. In brief, all planned work for the project was successfully completed, on or ahead of schedule and on budget. The major accomplishment was the successful development of a very advanced passive ultra-secure RFID tag system with combined security features unmatched by any commercially available ones. These tags have high-level dynamic encrypted authentication, a novel tamper-proofing mechanism, system software including graphical user interfaces and networking, and integration with a fiber-optic seal mechanism. This is all accomplished passively (with no battery) by incorporating sophisticated hardware in the tag which harvests the energy from the RFID readers that are interrogating the tag. Based on initial feedback (and deployments) at DOE’s Lawrence Livermore National Laboratory (LLNL), it is anticipated these tags and their offspring will meet DOE and international community needs for highly secure RFID systems. Beyond the accomplishment of those original objectives for the ultra-secure RF tags, major new spin-off thrusts from the original work were identified and successfully pursued with the cognizance of the DOE sponsor office. In particular, new classes of less sophisticated RFID tags were developed whose lineage derives from the core R&D thrusts of this SBIR. These RF “tag variants” have some, but not necessarily all, of the advanced characteristics described above and can therefore be less expensive and meet far wider markets. With customer pull from the DOE and its national laboratories, new RFID tags and systems (including custom readers and software) for government needs in asset management and tracking were developed. These were tested at a national laboratory and other government facilities, and resulted in immediate procurement actions by the government and deployment of these new systems. Thus, commercialization of the results of this Phase II DOE SBIR was already underway before the end of the SBIR itself. More importantly, operations involving asset management at selected DoE and government sites are already being impacted favorably and could have much broader impacts in the near future.

42 ENGINEERING↗

DOE OSTI2018

Evaluation of Visualization Heuristics

Heuristics have been used since the early 1990's in the Human Computer Interaction (HCI) domain, for evaluating user interfaces. Most notably, heuristics developed by Nielsen and Molich (1990) have been used by the HCI community. Forsell and Johansson (2010) used the same methodology as Nielsen and Molich and developed a set of 10 heuristics for information visualization. Currently, neither the information visualization or the visual analytics community has adopted these heuristics. However, several studies have been conducted using heuristics. Hearst et al. (2015) found that using the heuristics for visualizations along with asking questions about the data resulted in complementary results as the questions about the data could compensate for heuristics that were difficult to understand and apply. Heli Väätäjä et al. (2016) found that heuristics related to interaction, veracity, and aesthetics needed to be added to the Forsell and Johansson (2010) set. They also noted that a lack of domain knowledge caused the evaluators issues in conducting a heuristic evaluation. We conducted a controlled experiment to determine what factors might impact the expert evaluators' capability to conduct a heuristic evaluation of a static information visualization. In particular, we wanted to understand how their familiarity with the visualizations and their experience in conducting heuristic evaluations impacted their evaluations of visualizations. We recruited 10 participants who were domain experts in the visualization field each having experience with one of more of the following: user experience design or research, user interface development, and human computer interaction research. We used a heuristic set proposed by Forsell and Johansson. Participants were also asked to complete a demographic survey in which they rated their experience with each visualization type generally, their experience conducting heuristic evaluations, their experience using each visualization type to extract information, and their experience developing and creating each visualization type. The participants were shown a series of 5 common visualizations (Scatterplots, Sunbursts, Tree Maps, Parallel Sets, and Area Graphs) all displaying the VAST 2008 Mini Challenge Two- Migrant Boats data . Participants were given a suggested analytical question related to each visualization to keep in mind as they applied the 10 heuristics to each visualization. They were asked if they could find any usability problems in the visualizations and which heuristic(s) helped them to identify these problems. The participants were asked to rate how relevant each heuristic was for evaluating each visualization along with rating how confident they felt in their ability to apply the heuristic to evaluate each visualization. At the conclusion of the study, participants provided qualitative feedback on the usability issues of each visualization. Additionally, we collected eye tracking data on 6 of the 10 participants. We will be using this data to determine how long participants looked at the various visualizations and what parts of the visualizations they focused on. We had two hypotheses for this empirical evaluation: 1.The Forsell and Johansson heuristics of Orientation and help, Data set reduction, and Prompting are less useful for static visualizations because they require some interaction in order to test completely. 2.Participants that do not have experience with heuristic evaluation will provide lower evaluation scores for the heuristics compared to those that have experience. Related to hypothesis 1, as our study used only static visualizations, interaction-related usability challenges should be harder to identify. This should result in lower usefulness ratings for those heuristics. Preliminary results indicate that participants found it more difficult to apply heuristics to unfamiliar visualizations.

Williams, Ryan G.↗

DOE OSTI2026

ACDC (Automated Campbell Diagram Code) [SWR-26-042]

This application provides a web-based graphical user interface to generating Campbell Diagrams and visualizing mode shapes for OpenFAST turbine models. Determining the aeroelastic stability and dynamic characteristics of wind turbines is a critical step in turbine design and analysis. Historically, extracting natural frequencies and mode shapes from OpenFAST—the industry-standard whole-turbine simulation code—has been a fragmented and tedious process. It required manual model configuration, command-line linearization execution, and complex post-processing via proprietary scripts to handle rotating-frame dynamics. To address these workflow bottlenecks, we present the Automated Campbell Diagram Code (ACDC), an open-source graphical software tool developed by the National Laboratory of the Rockies (NLR) under the DOE-funded Distributed Wind Aeroelastic Modeling (dWAM) project. ACDC streamlines the end-to-end linearization and stability analysis workflow into a single, intuitive cross-platform application. The software guides users through OpenFAST model configuration, definition of operating points, and the automated execution of steady-state trim and linearization simulations. Under the hood, ACDC automates the complex mathematical post-processing steps required for rotating systems, including Multi-Blade Coordinate (MBC) transformations, eigenanalysis, and advanced modal tracking utilizing the Modal Assurance Criterion (MAC) and spectral clustering. Finally, ACDC processes these results to automatically generate Campbell diagrams and features a robust 3D visualization engine to animate full-system mode shapes. By eliminating the reliance on external post-processing environments and manual data manipulation, ACDC significantly accelerates dynamic analysis and lowers the barrier to entry for wind energy researchers and engineers.

Summerville, Brent [National Laboratory of the Roc↗

DOE OSTI2024

Understanding and modeling current and future coastal wetland methane dynamics (Final Report)

The coastal terrestrial-aquatic interface (TAI) is a highly dynamic component of the Earth system that plays a critical role in biogeochemical cycling. Due to its dynamic nature, the processes that regulate decomposition and methane (CH 4 ) emissions are of greater significance at the TAI than in upland systems. Despite this, we have limited mechanistic understanding of how climate stressors interact to regulate the electron acceptors and donors that determine decomposition pathways within TAIs, including the generation of hot spots and hot moments. Accurately modeling these processes is critical for incorporating the coastal TAI into Earth systems models, such as DOE’s E3SM. With previous DOE support, we adapted an aerobic terrestrial representation of decomposition using PFLOTRAN, a reactive flow and transport model, and added anerobic decomposition pathways, salinity, and oxygen (O 2 ) that fluctuates independently of water table level. However, because this model (PFLOTRAN TAI ) is based on decomposition rates and organic matter carbon to nitrogen ratios from terrestrial systems, its performance in TAI systems is currently limited by the lack of empirical data to properly parameterize variables. In addition, while PFLOTRAN TAI can simulate movement of O 2 into sediments, it is not currently capable of tracking the movement of CH 4 gas through plant tissues due to both current model structure and lack of available data. Our overall objective of the project was the increase our mechanistic understanding of CH 4 dynamics in response to environmental change, such that we can improve the representation of these dynamics in PFLOTRAN. We installed automated flux chambers in a new field-scale active soil warming experiment and set up marsh organs (mesocosms) to test effects of warming, flooding, and salinity. This resulted in a new dataset consisting of chamber-level CH 4 flux measurements across multiple sites, ecological conditions, and timeframes, as well as corresponding measurements on porewater chemistry, soil carbon quality, plant biomass, and redox reaction rates. Using these data, we improved PFLOTRAN TAI to more accurately model CH 4 dynamics and successfully tested our hypotheses. This grant contributed to the professional development of 3 postdocs, 4 undergraduate interns, 4 teacher interns, 17 technicians, and 15 participatory scientists. The automated chamber technology designed for this grant has also been shared with multiple new projects.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Methods to Observe Tribological Failures in Self-Mated Steel Contacts

Scuffing, a type of wear found in highly stressed or poorly lubricated contacts, is characterized by a rapid increase in friction and severe plastic deformation of the near-surface material. Scuffing has proven difficult to study because it initiates unpredictably, progresses rapidly, and typically develops within an inaccessible contact interface. Although there have been successful in-situ studies of scuffing in real-time, the transparent counter body needed for these studies changes the interactions between the surfaces and the lubricant, which affects the scuffing process in unknown ways. This paper describes the development of X-ray-compatible tribometry to study the scuffing of self-mated steels in-situ and in real-time. The method uses a crossed cylinders configuration with a thin (500 μm thick) stationary component and a small (≈200 μm) contact width to maximize X-ray interactions with atoms within the stress field generated by the contact. The resulting instrument and method are used to benchmark the scuffing response of self-mated 52,100 steel under tribologically challenging ‘oil-off’ lubrication conditions. The results demonstrate reliable scuffing in this configuration despite the relatively small contact areas and loads used. Following scuffing, gross plastic deformation was observed on both surfaces along with significant subsurface grain refinement and flow only on the stationary surface, which experienced constant contact. Interestingly, high friction initiated at specific locations of the migratory surface, which experienced intermittent contact, and then propagated across the track over time, suggesting that local conditions of the migratory surface dominated friction leading into the failure event.

36 MATERIALS SCIENCE↗