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DOE OSTI2021

Fracture Toughness and Fatigue Crack Growth Rate Testing of Baffle-Former Bolts Harvested from a Westinghouse Two-Loop Downflow Type PWR

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Microstructural Characterization of the Second High Fluence Baffle-Former Bolt Retrieved from a Westinghouse Two-loop Downflow Type PWR

As one of the pressurized water reactor (PWR) internal components, baffle-former bolts (BFBs) are subjected to significant mechanical stress and neutron irradiation from the reactor core during the plant operation. Over the long operation period, these conditions lead to potential degradation and reduced load-carrying capacity of the bolts. In support of evaluating long-term operational performance of materials used in core internal components, the Oak Ridge National Laboratory (ORNL), through the Department of Energy (DOE), Light Water Reactor Sustainability (LWRS) Program, Materials Research Pathway (MRP) has harvested two high fluence BFBs from a commercial Westinghouse two-loop downflow type PWR. The two bolts of interest, i.e. bolts # 4412 and 4416, were withdrawn from service in 2011 as part of a preventative replacement plan. No identification of cracking or potential damage was found for these bolts during their removal in 2011. However, the bolts required a lower torque for removal from the baffle structure than the original torque specified during installation. Irradiation displacement damage levels in the bolts range from 15 to 41 displacements per atom. The goal of this project is to perform detailed microstructural and mechanical property characterization of BFBs following in-service exposures. The information from these bolts will be integral to the LWRS program initiatives in evaluating end of life microstructure and properties. Furthermore, valuable data will be obtained that can be incorporated into model predictions of long-term irradiation behavior and compared to results obtained in high flux experimental reactor conditions. In this report, we present our latest study in FY22 on microstructural characterizations of the second high fluence baffle-former bolt, i.e., bolt # 4412. Analytical electron microscopy and atom probe tomography characterization were performed. The radiation-induced defects in the material add to the large wealth of knowledge for neutron-induced defects in 304/316 grades of stainless steels, specifically for radiation-induced precipitation after high fluence commercial PWR irradiation. The main findings are summarized as follows: 1) The cavity size was considerably larger in the bolt thread section than in the bolt head, with the bolt thread section having a bimodal distribution of cavities greater than ~6 nm in diameter and less than ~3 nm in diameter. The bolt head only had the small-sized cavities. In addition, there was a denuded zone of large cavities near grain boundaries in the thread section of the bolt. 2) Radiation-induced precipitation in the BFB #4412 was highly complex, with the volume fraction, size, and number density of Ni/Si and Cu-rich precipitates depending strongly on the radiation temperature/dose. In many cases, co-precipitates of adjoined clusters were found with Ni/Si-rich precipitates sandwiched between Cu-rich clusters and Mo/Cr/P-rich clusters. 3) Solute segregation out of solution was highest for most solutes in the thread section of the bolt #4412 with the exception of Cu, which experienced more separation out of solution into Curich clusters in the bolt head section. This highlights the difference in the mechanisms for precipitation of Ni/Si clusters, which have the Ni 3 Si phase composition, and precipitation of Cu-rich clusters. 4) There appear to be multiple simultaneous influences that affect the microstructural variation along the length of the bolt that overcomes the ~2X difference in irradiation dose between the bolt head and the bolt thread. The irradiation temperature, thermal/fast neutron ratio variation, potential strain gradient, and exposure to PWR coolant water that each section of the bolt sees may have more influence on the microstructural evolution than the total irradiation dose. The bolt thread and shank, with higher temperature, higher relative fast neutron flux, higher strain, and exposure to coolant but lower dose, underwent more enhanced cavity formation, precipitation, and solute segregation than the bolt head section.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Chemical Recycling of Thiol Epoxy Thermosets via Light-Driven C–C Bond Cleavage

Epoxy thermosets are high-volume materials that play a central role in a wide range of engineering applications; however, technologies to recycle these polymers remain rare. Here, we present a catalytic, light-driven method that enables chemical recycling of industrially relevant thiol epoxy thermosets to their original monomer at ambient temperature. This strategy relies on the proton-coupled electron transfer (PCET) activation of hydroxy groups within the polymer network to generate key alkoxy radicals that promote the fragmentation of the polymer through C–C bond β-scission. The method fully depolymerizes insoluble thiol epoxy thermosets into well-defined mixtures of small-molecule products, which can collectively be converted into the original monomer via a one-step dealkylation process. Notably, this process is selective and efficient even in the presence of other commodity plastics and additives commonly found in commercial applications. Finally, these results constitute an important step toward making epoxy thermosets recyclable and more generally exemplify the potential of PCET to offer a more sustainable end-of-life for a diverse array of commercial plastics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Thermal Evaluation of the SAVY-4000 1 Quart Container at High Heat Loads

The SAVY-4000 Safety Analysis Report (SAR) was published in 2013 which established the design life of the container series through physical testing that meets applicable requirements from DOE M 441.1-1, Nuclear Material Packaging Manual. One critical requirement in DOE M 441.1-1 is to set a maximum heat load for the entire series to ensure that throughout the lifetime of the container, each of the components still performs within manufacture specifications. The original maximum decay heat limit has been defined within the SAVY-4000 SAR, which was accomplished by completing a series of tests that heat loaded the SAVY-4000 series and measured the steady state temperature and graded it against manufacture specifications. The container series is comprised of a corrosion resistant 316L stainless steel containment boundary, ceramic composite filter for the prevention of radiological particulate release and a chemically stable O-ring made of Viton ® . Currently, the SAVY 4000 maximum decay heat load is set at 25 Watts and the heat load expected during normal handling and storage is considered sufficient that the SAVY 4000 container requirements will not be the limiting factor for storage of most common material in use at TA-55, e.g. weapons grade oxide, americium, Pu-238 oxide and encapsulated heat sources. The SAVY 4000 lifetime was originally set as 5 years within the SAVY-4000 SAR, but in July 2019 the lifetime was extended to 15 years through a technical basis justification approved by the Department of Energy (DOE) Los Alamos Field Office. The 25 Watt limit applies to all SAVY 4000 container sizes; 1-quart, 2-quart, 3-quart, 5-quart, 8-quart, 12-quart, 5-gallon, and 10-gallon.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Electron Configuration Modulation Induced Stabilized 1T-MoS 2 for Enhanced Sodium Ion Storage

1T-MoS 2 has become an ideal anode for sodium-ion batteries (SIBs). However, the metastable feature of 1T-MoS 2 makes it difficult to directly synthesize under normal conditions. In addition, it easily transforms into 2H phase via restacking, resulting in inferior electrochemical performance. Here, the electron configuration of Mo 4d orbitals is modulated and the stable 1T-MoS 2 is constructed by nickel (Ni) introduction (1T-Ni-MoS 2 ). The original electron configuration of Mo 4d orbitals is changed via the electron injection by Ni, which triggers the phase transition from 2H to 1T phase, thus improving the electrical conductivity and accelerating the redox kinetics of the material. Consequently, 1T-Ni-MoS 2 exhibits superior rate capability (266.8 mAh g -1 at 10 A g -1 ) and excellent cycle life (358.7 mAh g -1 at 1 A g -1 after 350 cycles). In addition, the assembled Na 3 V 2 (PO 4 ) 3 /C||1T-Ni-MoS 2 full cells deliver excellent electrochemical properties and show great prospects in energy storage devices.

1T-MoS2↗

DOE OSTI2023

Chitosan Coating Functionalized with Flaxseed Oil and Green Tea Extract as a Bio-Based Solution for Beef Preservation

Ecological and safe packaging solutions arise as pivotal points in the development of an integrated system for sustainable meat production. The aim of this study was to assess the effect of a combined chitosan (Ch) + green tea extract (GTE) + essential oil (thyme oil, TO; flaxseed oil, FO; or oregano oil, OO) coating on the safety and quality of vacuum-packaged beef during storage at 4 °C. An optimized bio-based coating formulation was selected (2% Ch + 2% GTE + 0.1% FO) to be applied to three fresh beef cuts (shoulder, Sh; knuckle, Kn; Striploin, St) based on its pH (5.8 ± 0.1), contact angle (22.3 ± 0.4°) and rheological parameters (viscosity = 0.05 Pa.s at shear rate > 20 s−1). Shelf-life analysis showed that the Ch–GTE–FO coating delayed lipid oxidation and reduced total viable counts (TVC) and Enterobacteriaceae growth compared with uncoated beef samples over five days. In addition, Ch–GTE–FO coating decreased total color changes of beef samples (e.g., ∆E* = 9.84 and 3.94, for non-coated and coated Kn samples, respectively) for up to five days. The original textural parameters (hardness, adhesiveness and springiness) of beef cuts were maintained during storage when Ch–GTE–FO coating was applied. Based on the physicochemical and microbial characterization results, the combination of the Ch–GTE–FO coating developed was effective in preserving the quality of fresh beef cuts during refrigerated storage along with vacuum packaging.

Mendes, Cíntia G.↗

DOE OSTI2022

Ground-state β -decay spectroscopy of 187 Ta

We report beta-decay spectroscopy of the 187 Ta ground state was performed at the KEK Isotope Separation System. β-delayed γ rays corresponding to the previously reported in-beam transitions were observed. The β-decay half-life of the 187 Ta ground state was determined to be 283(10) s by analyzing a time spectrum of β-γ coincidence events. The β-decay branching ratio and log(ft) values were evaluated for the first time. Based on the newly evaluated log(ft) values of >6.0 and a decay scheme, spin-parity values of I π = 7/2 + originating from the odd-proton orbit π7/2[404] were assigned with high confidence, which is consistent with the systematics of neighboring odd-A nuclides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Antimicrobial resistance and genomic characterization of Salmonella Dublin isolates in cattle from the United States

Salmonella enterica subspecies enterica serotype Dublin is a host-adapted serotype in cattle, associated with enteritis and systemic disease. The primary clinical manifestation of Salmonella Dublin infection in cattle, especially calves, is respiratory disease. While rare in humans, it can cause severe illness, including bacteremia, with hospitalization and death. In the United States, S . Dublin has become one of the most multidrug-resistant serotypes. The objective of this study was to characterize S . Dublin isolates from sick cattle by analyzing phenotypic and genotypic antimicrobial resistance (AMR) profiles, the presence of plasmids, and phylogenetic relationships. S . Dublin isolates (n = 140) were selected from submissions to the NVSL for Salmonella serotyping (2014–2017) from 21 states. Isolates were tested for susceptibility against 14 class-representative antimicrobial drugs. Resistance profiles were determined using the ABRicate with Resfinder and NCBI databases, AMRFinder and PointFinder. Plasmids were detected using ABRicate with PlasmidFinder. Phylogeny was determined using vSNP. We found 98% of the isolates were resistant to more than 4 antimicrobials. Only 1 isolate was pan-susceptible and had no predicted AMR genes. All S . Dublin isolates were susceptible to azithromycin and meropenem. They showed 96% resistance to sulfonamides, 97% to tetracyclines, 95% to aminoglycosides and 85% to beta-lactams. The most common AMR genes were: sulf2 and tetA (98.6%), aph(6)-Id (97.9%), aph(3’’)-Ib, (97.1%), floR (94.3%), and blaCMY-2 (85.7%). All quinolone resistant isolates presented mutations in gyr A. Ten plasmid types were identified among all isolates with IncA/C2, IncX1, and IncFII(S) being the most frequent. The S . Dublin isolates show low genomic genetic diversity. This study provided antimicrobial susceptibility and genomic insight into S . Dublin clinical isolates from cattle in the U.S. Further sequence analysis integrating food and human origin S . Dublin isolates may provide valuable insight on increased virulence observed in humans.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Edge ML for CAN bus intrusion detection in AVs

Autonomous Vehicles (AVs) are revolutionizing transportation, but their reliance on interconnected cyber-physical systems exposes them to unprecedented cybersecurity risks. This study addresses the critical challenge of detecting real-time cyber intrusions in self-driving vehicles by leveraging a dataset from the Udacity self-driving car project. We simulate four high-impact attack vectors, Denial of Service (DoS), spoofing, replay, and fuzzy attacks, by injecting noise into spatial features (e.g., bounding box coordinates) to replicate adversarial scenarios. We develop and evaluate two lightweight neural network architectures (NN-1 and NN-2) alongside a logistic regression baseline (LG-1) for intrusion detection. The models achieve exceptional performance, with NN-2 attaining an AUC score of 93.15% and 93.15% accuracy, demonstrating their suitability for edge deployment in AV environments. Through explainable AI techniques, we uncover unique forensic fingerprints of each attack type, such as spatial corruption in fuzzy attacks and temporal anomalies in replay attacks, offering actionable insights for feature engineering and proactive defense. Visual analytics, including confusion matrices, ROC curves, and feature importance plots, validate the models' robustness and interpretability. This research sets a new benchmark for AV cybersecurity, delivering a scalable, field-ready toolkit for Original Equipment Manufacturers (OEMs) and policymakers. By aligning intrusion fingerprints with SAE J3061 automotive security standards, we provide a pathway for integrating machine learning into safety-critical AV systems. Our findings underscore the urgent need for security-by-design AI, ensuring that AVs not only drive autonomously but also defend autonomously. This work bridges the gap between theoretical cybersecurity and life-preserving engineering, offering a leap toward safer, more secure autonomous transportation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Literature Review of Documented Persistent Secondary Uranium Sources at DOE LM Sites

The U.S. Department of Energy Office of Legacy Management (LM) has the responsibility to protect human health and the environment at 101 legacy uranium sites across the nation by implementing long-term surveillance and maintenance requirements. Included in these responsibilities is to provide for the safe and environmentally sound disposal, long-term stabilization, and control of uranium mill tailings in a manner that minimizes or eliminates radiation health hazards to the public at 21 Uranium Mill Tailings Radiation Control Act (UMTRCA) Title I sites; 6 UMTRCA Title II sites; and 9 Comprehensive Environmental Response, Compensation, and Liability Act/Resource Conservation and Recovery Act sites. These sites are former uranium mills (processing sites), or sites with wastes from processing sites encapsulated in engineered disposal cells (disposal sites), or sites where components of atomic weapons were manufactured. During site characterization, groundwater contamination was often discovered and evaluated or modeled for future movement with the inclusion of uranium sorption in the groundwater plume. Much of this original work did identify uranium processing wastes as the original contaminant source. However, more recent work has identified the existence and influence of persistent secondary uranium sources that may prevent uranium in groundwater from attenuating as quickly as initial evaluations or modeling indicated. By understanding these processes, better decisions can be made to choose the appropriate remediation and closure strategies, identify long-term surveillance and maintenance activities, and more accurately estimate life-cycle costs. The purpose of this report is to summarize the literature available on documented persistence secondary uranium sources at LM sites as part of the Applied Studies and Technology Persistent Secondary Contaminant Sources Project.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Micro–Global Positioning Systems for Identifying Nightly Opportunities for Marburg Virus Spillover to Humans by Egyptian Rousette Bats

Marburg virus disease, caused by Marburg and Ravn orthomarburgviruses, emerges sporadically in sub-Saharan Africa and is often fatal in humans. The natural reservoir is the Egyptian rousette bat (ERB), which sheds virus in saliva, urine, and feces. Frugivorous ERBs discard test-bitten and partially eaten fruit, potentially leaving infectious virus behind that could be consumed by other susceptible animals or humans. Historically, 8 of 17 known Marburg virus disease outbreaks have been linked to human encroachment on ERB habitats, but no linkage exists for the other 9 outbreaks, raising the question of how bats and humans might intersect, leading to virus spillover. We used micro–global positioning systems to identify nightly ERB foraging locations. ERBs from a known Marburg virus–infected population traveled long distances to feed in cultivated fruit trees near homes. Our results show that ERB foraging behavior represents a Marburg virus spillover risk to humans and plausibly explains the origins of some past outbreaks.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

Final Report DE-FE0031785 Mohsen Ahmadian, Ph.D. Demonstration of Proof of Concept of a Multiphysics Approach for Real-Time Remote Monitoring of Dynamic Changes in Pressure and Salinity in Hydraulically Fractured Networks

Hydraulic fracturing has evolved into a multistep process with varying flow rates, carrier fluids (e.g., gel or slickwater), proppant loadings, and proppant grain sizes. As a result, primary recovery from a hydraulically fractured tight-oil reservoir is often a tiny fraction of the original oil in place, ranging between 5 and 10%. As stated in the FOA1990, “part of this problem is due to the inability of current well completion processes to effectively stimulate the entire reservoir volume in contact with the wellbore. Innovative technologies are needed that can help improve the effectiveness of reservoir completion methods, maximize stimulated reservoir volumes, and optimize recovery over the entire producing life span of a well”. We first need to enhance the current fracture diagnostic techniques to improve a well-completion design. However, detecting and delineating a subsurface hydraulic fracture is extremely difficult because the induced fracture network is only fractionally propped, and these propped fractures are generally very thin. Microseismic and tiltmeter monitoring techniques can provide information on the fracture extent but provide little or no information on the movement and final distribution of proppant or production fluids. On the other hand, electromagnetic (EM) imaging has shown the capability to monitor proppant distribution throughout the fracture area, especially in the presence of Electrically Active Proppants (EAPs). A previous EM survey of hydraulic fracturing at the Devine Fracture Pilot Site (DFPS) and subsequent EM code developments demonstrated this survey as a robust technique to remotely interrogate the extent of the EAP-filled hydraulic fracture during its propagation. The objectives of the project were threefold: (1) to capitalize on the material properties of an EAP to demonstrate remote monitoring of relative changes in pressure, pressure, and flow that are commonly encountered during production from a hydraulically fractured reservoir; (2) to evaluate EM imaging tools, to achieve Objective 1 in near real-time; and (3) to develop a multi-physics joint inversion approach to precisely predict flow patterns and physiochemical changes within an EAP-filled fracture network. This research project was built upon our previous work at the Devine Test Site managed by the Bureau of Economic Geology (BEG) at The University of Texas at Austin (UT-Austin). It also leveraged a significant investment from the Advanced Energy Consortium (AEC) to address the DOE's interest in subsurface flow, containment, and characterization by multiple signals. This three-year and three-month project succeeded in demonstrating the feasibility of a real-time dynamic fluid flow mapping technique at Technology Readiness Level 5 (TRL5) by utilizing a commercially available surface-based Controlled-Source Electromagnetic (CSEM) method (Objectives 1, 2). We demonstrated that injections into an EAP-filled fracture could be successfully coupled with real-time electric field measurements on the surface, leading to remote monitoring of dynamic changes within the EAP-filled fracture. Furthermore, the observed electric field in our study is influenced by bottomhole pressure, flow rate, and salinity, which is demonstrated by comparing these parameters with the electrical field potentials. EM simulations solely based on assumptions of fracture conductivity changes during injection did not reproduce the whole measured electric field magnitudes. Preliminary estimates showed that including Streaming Potential (SP) in our geophysical model is likely needed to reduce the simulation misfit.

02 PETROLEUM↗

DOE OSTI2022

Extracting structural insights from soft X-ray scattering of biological assemblies

Resonant soft X-ray scattering (RSoXS), a technique that combines X-ray absorption spectroscopy and X-ray scattering, can probe the nano- and meso-scale structure of biological assemblies with chemical specificity. RSoXS experiments yield scattering data collected at several photon energies, for example across an elemental absorption edge of interest. Collecting a near-edge X-ray absorption fine structure (NEXAFS) spectrum complements RSoXS experiments and determines X-ray energies that are best suited for RSoXS measurements. The analysis of RSoXS data is similar in many ways to analysis of small angle X-ray scattering using hard X-rays, with an added dimension that includes an X-ray energy dependence. This chapter discusses procedures for predicting scattering contrast and thereby identifying energies suitable for RSoXS measurements using NEXAFS spectra, analyses of 2D RSoXS images through integration into 1D profiles, and strategies for elucidating the origin of RSoXS scattering features. As a result, it also discusses existing and potential methods for interpretation of RSoXS data to gain detailed structural insights into biological systems.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Effect of supplementary cementitious materials on carbonation of cement pastes

Supplementary cementitious materials (SCM) are increasingly used in concrete for economical and environmental reasons. However, the durability of reinforced concretes against, for example, corrosion induced by carbonation varies. Here, the phase assemblage of various cement pastes with/without SCM (slag, fly ash and metakaolin), carbonated in accelerated conditions (1.5% CO{sub 2} and 65% RH) or not, has been investigated by various technics (XRD, TGA/DTA and {sup 29}Si as well as {sup 27}Al nuclear magnetic resonance spectroscopy) and compared. Results show that, after carbonation, anhydrous phases are less decalcified than hydrated phases. In cement pastes with slag, most of the calcium remains in the non-hydrated part of the slag. In contrast, the C-A,S-H phase is deeply modified and results show a coupling between C-A,S-H and hydrated aluminate phases during carbonation. In all carbonated materials, these phases tend to become an aluminosilicate gel, a very amorphous/disordered phase, containing less water than the original hydrates.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Electric vehicle post-crash Recovery—Stranded energy issues and mitigation strategy

In post-crash situations, passengers, bystanders, and first responders are exposed to the immediate safety risks of stranded energy in electric vehicle (EV) batteries. Stranded energy is the energy remaining inside any undamaged or damaged battery following an accident. A potentially damaged battery with an unknown state of safety might go into thermal runaway in the absence of proper monitoring, diagnostics, controls, and handling—thereby leading to potential loss of life and property damage. Therefore, it is imperative to develop standard guidelines, diagnostic methods, and tools to handle stranded energy appropriately and minimize safety risks from immediately after an EV accident to final disposal or re-entry to the road. This perspective paper identifies the challenges associated with handling stranded energy and proposes some potential solution pathways. Further, we hope to draw attention of the research and development community, original equipment manufacturers, and policymakers for motivating new insights and research needs in mitigating safety implications associated with stranded energy.

25 ENERGY STORAGE↗

DOE OSTI2022

Regional analysis of aluminum and steel flows into the American automotive industry

Aluminum and steel represent the two most dominant metals in light duty vehicles, yet the flows of these materials into the American automotive industry have not been well characterized. This study proposes and implements a method for analyzing the flow of these metals into the automotive industry. We create a framework for performing regionally linked, sector specific material flow analyses and use this framework to trace flows of aluminum and steel entering the American automotive industry, focusing on flows downstream from raw material production. We show that automotive aluminum sheet and extrusions are sourced primarily from the NPCC (23%), SERC (20%), MRO (18%), and RFC (13%) NERC regions and a spatially unresolved Local region within the U.S. and Canada (18%). We determine that primary aluminum is largely from Canada (70%), nearly all from Quebec (69%). Further upstream, alumina and bauxite originate mostly from Brazil, Australia, and Jamaica. We also show that finished automotive steel is sourced primarily from the RFC (63%) and SERC (20%) regions. The crude steel supply similarly originates mainly from the RFC (69%) and SERC (7%) regions. Upstream raw materials including coke, coking coal, iron ore, lime, and steel scrap are primarily sourced from the U.S. with only direct reduced iron and pig iron used in electric arc furnace steel production coming mostly from outside the U.S. The framework developed here allows for increased spatial resolution of material flows, which can be used to develop more specific life cycle impact factors for life cycle assessments.

aluminum↗

DOE OSTI2021

Measurement report: Cloud condensation nuclei activity and its variation with organic oxidation level and volatility observed during an aerosol life cycle intensive operational period (ALC-IOP)

Abstract. Cloud condensation nuclei (CCN) spectrum and the CCN activated fraction of size-resolved aerosols (SR-CCN) were measured at a rural site on Long Island during the Department of Energy (DOE) aerosol life cycle intensive operational period (ALC-IOP) from 15 July to 15 August 2011. During the last week of the ALC-IOP, the dependence of the activated fraction on aerosol volatility was characterized by sampling downstream of a thermodenuder (TD) operated at temperatures up to 100 ∘C. Here we present aerosol properties, including aerosol total number concentration, CCN spectrum, and the CCN hygroscopicity, for air masses of representative origins during the ALC-IOP. The hygroscopicity of organic species in the aerosol is derived from CCN hygroscopicity and chemical composition. The dependence of organic hygroscopicity on the organic oxidation level (e.g., atomic O:C ratio) agrees well with theoretical predictions and results from previous laboratory and field studies. The derived κorg and O:C ratio first increase as TD temperature increases from 20 ∘C (i.e., ambient temperature) to 50 or 75 ∘C and then decrease as TD temperature further increases to 100 ∘C. The initial increases of O:C and κorg with TD temperature below 50 ∘C are likely due to evaporation of more volatile organics with relatively lower O:C and hygroscopicity such as primary organic aerosol. At the high TD temperatures, the decreases of O:C and κorg indicate that evaporated organics were more oxygenated and had lower molecular weights. These trends are different from previous laboratory experiments and field observations, which reported that organic O:C increased monotonically with increasing TD temperature, whereas κorg decreased with the TD temperature. One possible reason is that previous studies were either focused on laboratory-generated secondary organic aerosol (SOA) or based on field observations at locations more dominated by SOA.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Feature Engineering and Process Mining to Enable Hazard Detection in Health Information Technology

Motivation for this work originates from a recognized need for developing data-driven approaches through analysis of complex electronic health records. Specifically, we aim to enhance the reliability of health information technology (HIT) systems by detection of plausible HIT hazards in clinical order transactions. In the absence of well-defined event logs in corporate data warehouses, our proposed approach identifies relevant timestamped data fields that could indicate transactions in the clinical order life cycle generating raw event sequences. Subsequently, we adopt state transitions of the OASIS Human Task standard to map the raw event sequences and simplify the complex process that clinical radiology orders go through. We describe how the current approach provides the potential to investigate areas of improvement and potential hazards in HIT systems. The discussion concludes with a use case and opportunities for future applications.

Ozmen, Ozgur↗