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DOE OSTI2025

Polylactic acid (PLA)-based multifunctional and biodegradable nanocomposites and their applications

Polylactic acid (PLA)-based nanocomposites are emerging as multifunctional, biodegradable materials, offering sustainable alternatives to petroleum-based plastics. This review examines recent advancements in PLA nanocomposites, focusing on enhanced mechanical strength, thermal stability, and biodegradability achieved through nanofillers like metallic particles, carbon-based materials, and ceramics. Techniques such as in situ polymerization, melt mixing, and electrospinning enable application-specific improvements. PLA's limitations, including brittleness and low barrier properties, are addressed to support diverse applications: in packaging (e.g., extended shelf life), biomedicine (e.g., degradable implants), and electronics (e.g., flexible devices). Despite challenges with filler dispersion and thermal resistance, continued innovations expand PLA's potential across multiple industries, contributing to a sustainable, circular economy.

Biodegradable polymers↗

DOE OSTI2022

Attention-based convolutional capsules for evapotranspiration estimation at scale

Evapotranspiration (ET) measures the amount of water lost from the Earth's surface to the atmosphere and is an integral metric for both agricultural and environmental sciences. Understanding and quantifying ET is critical for achieving effective management of freshwater and irrigation systems. However, current ET estimation models suffer from a trade-off between accuracy and spatial coverage. In this study, we introduce our model Quench, a neural network architecture that achieves highly-accurate ET estimates over large continuous spatial extents. Quench uses our novel Attention-Based Convolutional Capsule for its neural network layers to identify areas of focus and efficiently extract ET information from satellite imagery. Benchmarks that profile our model's performance show substantive improvements in accuracy, with up to 128% increase in accuracy compared to traditional convolutional-based and process-based models. Finally, Quench also demonstrates consistent model performance over high geospatial variability and a diverse array of regions, seasons, climates, and vegetations.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Feasibility of using crystal channeling for the beam loss mitigation in slow extraction at 8GeV

In the accelerator applications of slow extraction for High Energy Physics (HEP), one of the prime challenges is the mitigation of beam losses, which is becoming increasingly critical with the continuous rise in beam power. A significant breakthrough was achieved earlier at CERN through the successful deployment of proton beam channeling in a crystal at 400GeV, effectively diverting the beam away from extraction septa and offering new avenues for improving slow extraction efficiency. However, a crucial question remains whether this approach is still effective at lower and medium proton beam energies. In this paper, we present the promising results of the computer simulation studies of the septum shadowing at 8GeV for the Mu2e project slow extraction at Fermilab. In conclusion, across the wide range of beam parameters, the beam loss reduction is shown to range between 40% and factor of three.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Quantifying lithium loss in amorphous silicon thin-film anodes via titration-gas chromatography

Silicon with a high theoretical capacity (3,579 mAh/g) is a promising anode candidate for lithium-ion batteries. However, commercialization is still impeded by low Coulombic efficiency, caused by solid electrolyte interphase (SEI) formation and trapped lithium (Li)-silicon (Si) alloy during repeated volume change. Quantifying capacity losses from each factor is crucial to formulate rational design strategies for further improvement. In this work, titration-gas chromatography and cryogenic transmission electron microscopy are applied to characterize the evolution of trapped Li-Si alloy and SEI growth in a silicon thin-film anode. It is found that continuous growth of the SEI is the dominant factor for lithium inventory loss during cycling, with only a marginal increase in trapped Li-Si alloy. This study offers a quantitative approach to differentiate Li in the SEI from trapped Li in Li-Si alloy through a silicon thin-film anode, providing unique insights into identifying critical bottlenecks for developing Si anodes.

25 ENERGY STORAGE↗

DOE OSTI2023

Dynamic Molecular Investigation of the Solid-Electrolyte Interphase of an Anode-Free Lithium Metal Battery Using In Situ Liquid SIMS and Cryo-TEM

Solid electrolyte interphase (SEI) has been widely perceived to play a critical role in the stable cycling of rechargeable batteries. However, associated with the fragile and air-sensitive nature of the SEI layer, delineation of the formation process and the nature of SEI remains a big challenge. Here, we use in situ liquid time-of-flight secondary ion mass spectroscopy (TOF-SIMS), cryo- transmission electron microscope (TEM) and density functional theory (DFT) calculation to delineate molecular process on the formation of SEI layer under the dynamic operating condition. We discover that the onset potential for SEI layer formation and the thickness of the SEI show dependence on the solvation shell structure. Using LiCoO 2 as a cathode and Cu film as an anode, the SEI is noticed to start to form at around 2.0 V and reach its final thickness (irreversible part, ~ 40-50 nm) at about 3.0 V in the 1 M LiPF 6 –EC/DMC electrolyte, while for the case of 1 M LiFSI–DME, the SEI starts to form at around 1.5 V and reaches its final thickness (~ 20 nm) at about 2.0 V. The in situ TOF-SIMS clearly indicates the outer SEI layer formation and dissipation upon charging and discharging, implying a continued evolution of electrolyte structure with extended cycling. In conclusion, the present work establishes a direct correlation between the molecular signature of SEI layer with solvation feature of electrolytes in lithium batteries, providing insights for tailoring SEI layer toward improved electrochemical properties of lithium batteries.

25 ENERGY STORAGE↗

DOE OSTI2025

Methods for Carbon Mass Closure in Polyolefin Hydrocracking

Heterogeneous catalytic hydrocracking of polyolefins is a promising approach for the processing of postconsumer plastics, but product quantification methods remain inconsistent across the literature. In systems that generate a large fraction of vapor-phase products, typical product capture methods can result in large carbon balance deficits, exceeding 50%, compromising reported yields and selectivities. Here, we identify the major sources of product loss and develop enhanced capture methods to improve the quantification accuracy. Seven supplemental techniques were evaluated, targeting either increased vapor recovery (by increasing the volatility or system volume) or enhanced retention in the liquid phase (by decreasing volatility). Among these, a flow collection approach using a continuous helium sweep and downstream gas sampling bag capture yielded the highest recovery, achieving a 96 ± 9.2% carbon balance closure. We show that the efficacy of these methods is strongly dependent on product distribution. In general, solvent addition was most effective when condensable species dominate the product distribution, while flow collection was preferred when both condensable species and light gases are present in high concentrations. These results highlight the need for method-specific workup strategies and demonstrate that no single protocol is universally optimal. We provide general guidelines for selecting and implementing robust product capture techniques, enabling accurate yield and selectivity determinations in polyolefin hydrocracking systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Hydrogen applications in airport operations: a review using the Port Authority of New York and New Jersey as an illustrative airport system

Airports combine aircraft propulsion, ground operations, stationary power systems, and fuel logistics in ways that make emissions reduction technically and operationally complex. Existing studies often assess hydrogen applications in these areas separately, limiting understanding of the shared infrastructure, safety, and operational constraints that shape airport deployment. This review evaluates hydrogen across three airport-relevant operational domains: aviation propulsion, ground support equipment and vehicles, and stationary power systems. Within aviation propulsion, the review examines sustainable aviation fuel production and hydrogen-powered aircraft as two distinct hydrogen-relevant pathways. The Port Authority of New York and New Jersey is used as an illustrative airport system to relate the literature to a real operating context. Drawing on peer-reviewed studies, technical reports, demonstration projects, and public operational information, the review also includes screening-level calculations of hydrogen demand and potential CO 2 e reductions for selected applications. The findings show that hydrogen's role is highly application-specific. Near-term opportunities are strongest where hydrogen serves as a low-carbon process input, supports selected high-utilization ground equipment, or contributes to resilient stationary power-system configurations. Hydrogen-powered aircraft remain a longer-term option because storage, fueling infrastructure, certification, cost, and NO x management continue to constrain deployment. Across all domains, infrastructure readiness, fuel logistics, safety requirements, and leakage management emerge as recurring determinants of viability. Future research should focus on cross-domain infrastructure planning, comparative assessment of hydrogen against alternative pathways, improved treatment of leakage and non-CO 2 effects, and clearer safety and regulatory frameworks for airport deployment.

08 HYDROGEN↗

DOE OSTI2021

Perennial grass bioenergy cropping systems: Impacts on soil fauna and implications for soil carbon accrual

ABSTRACT Perennial grass energy crop production is necessary for the successful and sustainable expansion of bioenergy in North America. Numerous environmental advantages are associated with perennial grass cropping systems, including their potential to promote soil carbon accrual. Despite growing research interest in the abiotic and biotic factors driving soil carbon cycling within perennial grass cropping systems, soil fauna remain a critical yet largely unexplored component of these ecosystems. By regulating microbial activity and organic matter decomposition dynamics, soil fauna influence soil carbon stability with potentially significant implications for soil carbon accrual. We begin by reviewing the diverse, predominantly indirect effects of soil fauna on soil carbon dynamics in the context of perennial grass cropping systems. Since the impacts of perennial grass energy crop production on soil fauna will mediate their potential contributions to soil carbon accrual, we then discuss how perennial grass energy crop traits, diversity, and management influence soil fauna community structure and activity. We assert that continued research into the interactions of soil fauna, microbes, and organic matter will be important for advancing our understanding of soil carbon dynamics in perennial grass cropping systems. Furthermore, explicit consideration of soil faunal effects on soil carbon can improve our ability to predict changes in soil carbon following perennial grass cropping system establishment. We conclude by addressing the major knowledge gaps that should be prioritized to better understand and model the complex connections between perennial grass bioenergy systems, soil fauna, and carbon accrual.

sustainability↗

DOE OSTI2020

ATLAS: a Snakemake workflow for assembly, annotation, and genomic binning of metagenome sequence data

Background: Metagenomics and metatranscriptomics studies provide valuable insight into the composition and function of microbial populations from diverse environments, however the data processing pipelines that rely on mapping reads to gene catalogs or genome databases for cultured strains yield results that underrepresent the genes and functional potential of uncultured microbes. Recent improvements in sequence assembly methods have eased the reliance on genome databases, thereby allowing the recovery of genomes from uncultured microbes. However, configuring these tools, linking them with advanced binning and annotation tools, and maintaining provenance of the processing continues to be challenging for researchers. Results: Here we present ATLAS, a software package for customizable data processing from raw sequence reads to functional and taxonomic annotations using state-of-the-art tools to assemble, annotate, quantify, and bin metagenome and metatranscriptome data. Genome-centric resolution and abundance estimates are provided for each sample in a dataset. ATLAS is written in Python and the workflow implemented in Snakemake; it operates in a Linux environment, and is compatible with Python 3.5+ and Anaconda 3+ versions. The source code for ATLAS is freely available, distributed under a BSD-3 license. Conclusions: ATLAS provides a user-friendly, modular and customizable Snakemake workflow for metagenome and metatranscriptome data processing; it is easily installable with conda and maintained as open-source on GitHub at https://github.com/metagenome-atlas/atlas.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

An Evaluation of the ASM2000 software

The ASM2000 software is based on the NetCAM3 software (currently installed at RLUOB) with the main difference being enhanced multi-CAM head support. Therefore, as the NetCAM3 software has been previously tested, the current evaluation concentrated on performance related to multi-head operation. In addition, bug fixes and improvements to prior versions of the NetCAM3 code were incorporated into the ASM2000 V2.0.0 software package.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Improved decay data for the long-lived fission products 147 Nd, 111 Ag, and 156 Eu

We have completed the successful campaign on improving the branching ratios following the decay of 147 Nd with the publication of our manuscript titled “Precise measurements of the γ-ray intensities following the β decay of 144 Ce and 147 Nd” in Phys Rev C. Continuing the work this collaboration, we have results on the decay of 156 Eu that report updated intensities with reduced uncertainties of most intense emissions by an order of magnitude or more. We expect to submit our manuscript to Phys Rev C with these results on 156 Eu in the upcoming weeks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Measurement Adequacy for Monitoring Data Center Oscillations

Artificial intelligence (AI) training data centers with periodic load profiles can induce sustained grid oscillations across a wide frequency range, making accurate monitoring essential for reliable power system operation. This report evaluates the adequacy of existing measurement systems for monitoring such oscillations, focusing on phasor measurement units (PMUs) and point-on-wave (POW) measurement systems. The analysis shows that while PMUs are highly effective for monitoring low-frequency electromechanical oscillations, they have inherent limitations in accurately representing higher-frequency oscillations due to constraints imposed by reporting rates and the bandwidth of phasor estimation filters. Even when configured with higher reporting rates, the filtering inherent in the phasor estimation process can significantly attenuate oscillation magnitudes, potentially leading to underestimation of oscillatory behavior. This has important implications for compliance and performance monitoring of large loads. To address the limitations associated with PMU-based monitoring, the report examines the use of high-resolution POW measurements, which can capture oscillations across a broader frequency range. However, continuous POW monitoring introduces practical challenges related to large data volumes, communication bandwidth, and real-time data processing. For this reason, the report also discusses emerging approaches that use POW measurements as a complementary capability alongside PMUs to improve observability of oscillations from large data center loads.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Measurement of the muon anomalous precession frequency in runs 2 \& 3 of the Muon $g-2$ Experiment at Fermilab

This dissertation presents a measurement of the muon anomalous precession frequency for the Runs 2 \& 3 data of the E989 Muon $g-2$ Experiment at Fermilab. The muon anomalous precession frequency is one of two key inputs, the other being the magnetic field, used to precisely determine the muon magnetic anomaly, $a_{\mu}$. In April 2021, the E989 collaboration reported its first measurement of $a_{\mu}$ to an unprecedented precision of 460 parts-per-billion (ppb). This result is in agreement with the previous measurement performed by the E821 collaboration at Brookhaven National Laboratory, and the combined experimental value is in tension with the Standard Model prediction at 4.2$\sigma$, a possible hint of new physics. The first result from E989 was based on the Run-1 data, which was collected in 2018 and comprises 6\% of the experiment’s target statistics; the Run-1 result was statistics-limited. The Runs 2 \& 3 data were collected in 2019-2020 and constitute a four-fold increase i n statistics compared to Run-1 and consequently, a factor of two reduction in the measurement’s statistical uncertainty. This reduced statistical uncertainty, as well as continued understanding of systematic effects, will result in an even more precise measurement of $a_{\mu}$ and will help clarify the observed tension between theory and experiment. The precession frequency analysis presented in this dissertation includes a number of improvements compared to Boston University's Run-1 analysis: the implementation of a more robust pileup-subtraction procedure, the implementation of a kernel ratio method, the adoption of the statistically optimal asymmetry-weighted method, and investigations that led to an improved understanding of an outstanding residual slow effect. This dissertation motivates a measurement of the muon magnetic anomaly, describes the experimental principle, gives an overview of the E989 experiment, and presents a precession frequency analysis with full systematic unc ertainty evaluation for the Runs 2 \& 3 data. The combined precession frequency measurement, using the ratio asymmetry-weighted method, has a statistical uncertainty of 201 ppb and a systematic uncertainty of 25 ppb, constituting the most precise determination of the muon anomalous precision frequency to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

7 Innovations in high-rate composite manufacturing: integrating additive manufacturing with compression molding process

Advanced composites play a pivotal role in modern engineering, offering exceptional strength-to-weight ratios and tailored properties, essential for various industries. High-rate composite manufacturing techniques have rapid production capabilities, which are essential for meeting the demands of industries requiring cost-saving, efficiency, and quick turnaround times. This chapter explores the Additive Manufacturing- Compression Molding (AM-CM) system developed by Oak Ridge National Laboratory (ORNL) for advanced composites manufacturing. The AM-CM system integrates additive manufacturing with compression molding, facilitating the production of polymer composite parts with superior mechanical properties and meticulously controlled microstructures. This innovative system not only ensures precise material deposition but also operates as a fast composite manufacturing process, enhancing productivity and performance, which are needed attributes across industrial applications. Through comprehensive mechanical testing and microstructural analysis, AM-CM promotes remarkable fiber alignment and reduced porosity in composite parts compared to alternative thermoplastic high-rate composite manufacturing methods. Furthermore, AM-CM enables overmolding reinforcement using continuous carbon fiber and supports selective reinforcement through customizable toolpaths. It also facilitates the production of hybrid materials to achieve tailored mechanical properties. Future advancements in AM-CM technology aim to enhance process efficiency, broaden material versatility, and improve part performance. This involves exploring novel materials, advancing process monitoring, implementing automation technologies, and integrating artificial intelligence (AI) and machine learning (ML) for predictive modeling and real-time optimization in composite manufacturing. These developments will establish the AM-CM system as a transformative technology in composite manufacturing, driving innovation across industries.

Hassen, Ahmed [ORNL] (ORCID:0000000328521222)↗

DOE OSTI2023

2023 Critical Materials Strategy

The global effort to curb carbon emissions is accelerating demand for clean energy technologies and the materials they rely on. Demand for these materials will only continue to grow, especially as some nations aim to achieve net zero emissions by 2050. While some major materials like steel, copper, and aluminum are already powering the fossil fuel economy, others are more minor materials with potential supply risks. These risks could jeopardize the ability to reduce greenhouse gas emissions within the desirable timeframe to avoid significant climate change. In some cases, it may be necessary to take action to improve the resilience of material supply chains and mitigate supply risks. Understanding the importance of individual materials to clean energy and the supply risks associated with them is necessary to identify which materials may serve as potential roadblocks to a clean energy future. The U.S. Department of Energy (DOE) issued a series of 13 supply chain deep dive assessment reports on various energy technologies in 2022 in response to President Biden’s Executive Order on America’s Supply Chains (E.O. 14017). These reports emphasized that supply chain bottlenecks can occur at any stage of the value chain from mining and refining to component and even sub-system manufacturing. The bottlenecks are a combination of factors such as material availability, equipment availability, work force availability and quality, logistics, regulatory framework, and market conditions. These bottlenecks were worsened during the global Covid-19 pandemic. Its lingering impacts have hindered capacity expansion for material supply chains and prevented product lead-time recovery. One approach to reduce supply chain risks for the United States is to have a strong domestic manufacturing sector with a diverse set of producers. Boosting responsible domestic production would require leveraging the latest science not only in material extraction but also in developing substitutes, recycling, reuse, and remanufacturing. This report is an updated analysis of previous Critical Materials Strategy (CMS) reports published by the DOE in 2010, 2011, and 2019 based on national and global priorities, technology advancement, and technology adoption trends. Like the CMS reports, this analysis presents the results of a formal material criticality assessment to identify which materials are critical to the continued deployment of clean energy technologies globally. The analysis in this report leveraged the DOE supply chain deep dive assessments to develop the initial list of materials to evaluate. This DOE Critical Materials Assessment (CMA) is conducted independently of criticality assessments performed by other U.S. government agencies, such as that conducted by the U.S. Geological Survey (USGS). This analysis complements the USGS critical minerals determination in three aspects. First, the DOE assessment is performed from a global perspective, while the USGS analysis focusses on the importance of minerals to the U.S. economy. Second, this report focuses on the importance of materials to clean energy technologies, rather than to the economy in general. Lastly, this study is forward looking to 2035 based on clean energy deployment scenarios, whereas the USGS assessment is retrospective. Materials evaluated in this report that do not appear in the USGS Critical Minerals List include copper, uranium, electrical steel, and SiC. A draft version of this report received ~80 public comments related to supporting data and methodological improvement. Those comments have been incorporated as much as possible where appropriate. Highlights of findings from this 2023 CMA include: Rare earth materials (neodymium, praseodymium, dysprosium, and terbium) used in magnets in electric vehicle (EV) motors and wind turbine generators continue to be critical. While dysprosium (Dy) and terbium (Tb) are both heavy rare earth elements that serve the same function in magnets, the criticality of Tb is slightly lower than that for Dy in the short term due to the widespread use of Dy in high-grade magnets and Tb’s present role as a substitute. Similarly, praseodymium (Pr) is critical in the medium term but only near critical in the short term because it is more substitutable in magnets than neodymium (Nd); Materials used in batteries for EVs and stationary storage are now considered to be critical. While cobalt (Co) was found to be critical in this and previous reports, lithium (Li) becomes critical in the medium term due to its broader use in various battery chemistries and the rampant growth of the EV industry. Natural graphite is a new addition in this assessment and is also found to be critical; Platinum group metals used in hydrogen electrolyzers, such as platinum (Pr) and iridium (Ir), are critical due to an increased focus on hydrogen technologies to achieve net zero carbon emissions, while those used in catalytic converters, such as rhodium (Rh) and palladium (Pd), were screened out due to the decreased importance of catalytic converters in the medium term; Gallium (Ga) continues to be critical due to its use in light-emitting diodes (LEDs). In addition, the use of Ga has increased in magnet manufacturing and in semiconductor in forms such as gallium arsenide (GaAs) or gallium nitride (GaN); Major materials like Aluminum (Al), copper (Cu), nickel (Ni), and silicon (Si) move from noncritical in the short term to near critical in the medium term due to their importance in electrification; Electrical steel is near critical due to its use in transformers for the grid and electric motors in EVs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Overcoming barriers to medium-chain fatty alcohol production

Medium-chain fatty alcohols ( mc FaOHs) are aliphatic primary alcohols containing six to twelve carbons that are widely used in materials, pharmaceuticals, and cosmetics. Microbial biosynthesis has been touted as a route to less-abundant chain-length molecules and as a sustainable alternative to current petrochemical processes. Several metabolic engineering strategies for producing mc FaOHs have been demonstrated in the literature, yet processes continue to suffer from poor selectivity and mc FaOH toxicity, leading to reduced titers, rates, and yields of the desired compounds. Here, this opinion examines the current state of microbial mc FaOH biosynthesis, summarizing engineering efforts to tailor selectivity and improve product tolerance by implementing engineering strategies that circumvent or overcome mc FaOH toxicity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Off-policy deep reinforcement learning with automatic entropy adjustment for adaptive online grid emergency control

Electric overloading conditions and contingencies put modern power systems at risk of voltage collapse and blackouts. Load shedding is crucial to maintain voltage stability for grid emergency control. However, the rule- or model-based schemes rely on accurate dynamic system models and face considerable challenges in adapting to various operating conditions and uncertain event occurrences. Here, to address these issues, this paper proposes a novel deep reinforcement learning (DRL)-based voltage stability control algorithm with automatic entropy adjustment (AEA) for grid emergency control. Various dynamic network components for complex system operations are modeled to construct the DRL environment. An off-policy soft actor-critic architecture is developed to maximize the expected reward and policy entropy simultaneously. The AEA mechanism is proposed to facilitate the policy maximum entropy procedure, and the proposed method can automatically provide effective discrete and continuous actions against various fault scenarios. Our approach accomplishes high sampling efficiency, scalability, and auto-adaptivity of the control policies under high uncertainties. Comparative studies with the existing DRL-based control methods in IEEE benchmarks indicate salient performance improvement of the proposed method for dynamic system emergency control.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Raman Spectroscopic In Situ Monitoring of Highly Turbid Media

The ability to run chemical processing more efficiently and cost effectively is a need that spans critical materials recovery and legacy nuclear waste cleanup. Sensors integrated to provide online monitoring are essential to addressing this need by providing near-real time feedback on process conditions, which can improve efficiency, aid in decision making, and reduce the need for grab sample measurements. Optical spectroscopy is well-suited for providing online chemical composition information and has been widely applied in varied chemical systems. However, applications in turbid matrices continue to represent substantial challenges to sensor performance, where absorption or scattering of excitation light can cause significant signal interference. Here, in this study, close-focus Raman probes are investigated for use in turbid media as a way to overcome the signal loss from the scattering of the Raman excitation source. This, paired with advanced data science techniques, allowed for the development of chemometric models for the accurate quantification of several analytes of interest (NO 3 – , NO 2 – , and PO 4 3– ) in highly turbid solutions with solids loadings of up to 20 wt %. This work focuses on offline sample measurement and characterization as an initial step toward the development of online monitoring capabilities. Chemical systems of interest were focused on nuclear waste at the Hanford Site, which represents highly complex matrices that could realize significant processing benefits through the integration of online monitoring.

Felmy, Heather M. [Pacific Northwest National Labo↗