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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

LLNL NESHAPs 2015 Annual Report - June 2016

Lawrence Livermore National Security, LLC operates facilities at Lawrence Livermore National Laboratory (LLNL) in which radionuclides are handled and stored. These facilities are subject to the U.S. Environmental Protection Agency (EPA) National Emission Standards for Hazardous Air Pollutants (NESHAPs) in Code of Federal Regulations (CFR) Title 40, Part 61, Subpart H, which regulates radionuclide emissions to air from Department of Energy (DOE) facilities. Specifically, NESHAPs limits the emission of radionuclides to the ambient air to levels resulting in an annual effective dose equivalent of 10 mrem (100 μSv) to any member of the public. Using measured and calculated emissions, and building-specific and common parameters, LLNL personnel applied the EPA-approved computer code, CAP88-PC, Version 4.0.1.17, to calculate the dose to the maximally exposed individual member of the public for the Livermore Site and Site 300.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Prototype Courthouse Building Energy Model: Building and System Characteristics

As part of the Department of Energy’s support of ANSI/ASHRAE/IES Standard 90.1 and the International Energy Conservation Code, researchers at Pacific Northwest National Laboratory apply a suite of prototype buildings covering 80% of the commercial building floor area in the United States for new construction. Efforts have begun to cover 90% of the commercial building floor area in the United States by developing prototype models for additional building types that include supermarket, laboratory, place of worship, public order and safety, and public assembly. “Courthouse” is a subcategory under the “Public Order and Safety” building type category defined by the Commercial Buildings Energy Consumption Survey (CBECS); other subcategories include police station, fire station, and detention and correctional facilities (i.e., jail, reformatory, or penitentiary). Oak Ridge National Laboratory used building design guides, databases, and documented courthouse projects, supplemented by personal communication with courthouse facility planning and design experts, to systematically conduct research on the courthouse building and system characteristics. This report documents this research and reports the building and system characteristics necessary for developing a Courthouse prototype building energy model to be included in the Commercial Building Prototype Model suite.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Analysis of Air-Purifying Respirator (APR) and Powered Air-Purifying Respirator (PAPR) Cartridge Performance Testing on a Hanford AP Tank Farm Exhauster Slipstream: Volume 2 Raw Analytical Data

As the Tank Operations Contractor for U.S. Department of Energy operations at the Hanford site in Washington State, Washington River Protection Solutions (WRPS) is responsible for managing highly radioactive wastes stored in tanks at Hanford. WRPS tests air-purifying respirator (APR) and powered air-purifying respirator (PAPR) chemical cartridges commonly used at Hanford Tank Farms to determine the period of time that the cartridges would provide adequate performance for APRs and PAPRs used to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from any vapors exiting headspaces in the storage tanks. The Occupational Safety and Health Administration (OSHA) Standard promulgated in Title 29 of the Code of the Federal Regulations (CFR) 1910.134(d)(3)(iii)(b)(2) specifies that for protection against gases and vapors, employers shall implement a schedule for cartridges to ensure that change-outs occur before the end of service life. The change schedule can be based on objective information or data that ensures cartridge change-outs occur before the end of their service life.[2-5] The primary function of the WRPS Cartridge Test Program is to obtain objective data to determine service lives for the APR and PAPR cartridges used at Hanford Tank Farms. WRPS contracted with Pacific Northwest National Laboratory to analyze the test data and offer an independent analysis and any recommendations. Volume 1 of this report summarizes data analysis of APR and PAPR cartridge testing on vapors from the AP tank farm exhauster. Previous testing of APR cartridges was conducted on the AP exhauster in June 2016. However, an AP exhauster upgrade was completed in September 2016. Two different APR cartridges from SCOTT Safety (Monroe, North Carolina) were assessed for the new AP exhauster source, along with two different PAPR cartridges—one from MSA Safety Inc. (Pittsburgh, Pennsylvania) and another from 3M (Maplewood, Minnesota). Volume 2 provides an introduction to the raw data, including analytical laboratory analysis results that supported the analysis and conclusions documented in Volume 1.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2022

Drones for Decommissioning

The U.S. Nuclear Regulatory Commission has responsibility for regulating the safe decommissioning of facilities and sites to meet the License Termination Rule in 10 Code of Federal Regulations (CFR) Part 20, Standards for Protection Against Radiation, Subpart E “Radiological Criteria for License Termination.” Decommissioning is performed in accordance with 10 CFR Part 50, Domestic Licensing of Production and Utilization Facilities, as part of license termination (§50.82) and release of the facility or site for unrestricted use (§50.83). The guidance currently demonstrates the minimum requirements and necessary conditions for conducting radiological surveys by a person carrying a radiation detector(s). The Pacific Northwest National Laboratory (PNNL) evaluated the use of an unoccupied aerial vehicle (UAV) to conduct radiological surveys that could be used in decommissioning to potentially reduce time, cost, and worker safety compared to current survey methods. The objective of this project was to evaluate the performance and limitations of a UAV to support a decommissioning radiological survey and compare it to a radiological survey conducted by a human. The primary research questions of interest evaluated were: 1. Did observed UAV paths differ from human paths and, if so, how much? 2. Did survey path deviation affect survey results and, if so, how? 3. Were radiological measurements from human and UAV surveys significantly different? To answer these research questions, an experimental field was set up at PNNL’s 3440 test track, and it included radiological sources commonly surveyed during decommissioning: cobalt-60 (Co-60), cesium-137 (Cs-137), and americium-241 (Am-241). Nine check sources (three each of Am-241, Cs-137, and Co-60) with activities ranging from 3.54 µCi to 39.34 µCi were set over a path that also included an area for measuring background radiation. An Aurelia X6 UAV coupled with a GPS and lidar unit was used to conduct the radiological surveys. UAV and human surveys were conducted using two different NaI(Tl) scintillation radiation detectors (2 in. × 2 in. Ludlum, Inc. and 2 in. × 0.04 in. Alpha Spectra, Inc.) at a travel velocity of approximately 0.2 m/s at a low (15–40 cm median altitude) or high (87–105 cm median altitude) survey altitude. Since the survey velocity and altitude parameters were atypical for normal UAV operations, testing was done prior to conducting the radiological surveys to establish airworthiness, evaluate the navigation system, and establish flight control. Human and UAV surveys were paired according to the detector type and altitude regime to compare the survey data. The results of this proof-of-concept research determined that the UAV and human surveys followed similar survey paths and detected the radiological sources with no significant statistical difference (in 33 out of 36 surveys). However, further research is needed prior to deploying UAVs for decommissioning surveys.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Analysis of Air-Purifying Respirator (APR) and Powered Air-Purifying Respirator (PAPR) Cartridge Performance Testing on Hanford Tanks BY-108 and BY-110 Volume 2: Raw Analytical Data

As the Tank Operations Contractor for U.S. Department of Energy operations at the Hanford site in Washington State, Washington River Protection Solutions (WRPS) is responsible for managing highly radioactive wastes stored in tanks at Hanford. WRPS tests air-purifying respirator (APR) and powered air-purifying respirator (PAPR) chemical cartridges commonly used by workers at Hanford Tank Farms to determine the period of time that the cartridges would provide adequate performance for APRs and PAPRs used to protect workers when exposed to a mixture of Chemicals of Potential Concern (COPC) from any vapors exiting headspaces in the storage tanks. The Occupational Safety and Health Administration (OSHA) Standard promulgated in Title 29 of the Code of the Federal Regulations (CFR) 1910.134(d)(3)(iii)(b)(2) specifies that for protection against gases and vapors, employers shall implement a schedule for cartridges to ensure that change-outs occur before the end of service life. The change schedule can be based on objective information or data that ensures cartridge change-outs occur before the end of their service life. The primary function of the WRPS Cartridge Test Program is to obtain objective data to determine service lives for the APR and PAPR cartridges used at Hanford Tank Farms. WRPS contracted with Pacific Northwest National Laboratory to analyze the test data and offer an independent analysis and any recommendations. This report summarizes data analysis of APR and PAPR cartridge testing on BY-110 and BY-108 headspace vapors, respectively. Two different APR cartridges from SCOTT Safety (Monroe, North Carolina) were assessed for the BY-110 headspace vapors, and two different PAPR cartridges—one from MSA Safety Inc. (Pittsburgh, Pennsylvania) and another from 3M (Maplewood, Minnesota)—were assessed for the BY-108 headspace vapors. Volume 1 of this report documents the testing, data analysis, results, conclusions, and recommendations resulting from the cartridge testing of vapors from the BY-110 and BY-108 headspaces. Volume 2 provides an introduction to the raw data, including analytical laboratory analysis results that supported the analysis and conclusions documented in Volume 1.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Simulations Supporting the Development of Northstar's Indirect Beam Parameters Monitoring System

NorthStar Medical Radioisotopes, LLC is planning to produce the important medical radioisotope molybdenum-99 (Mo-99), the parent of technetium-99m (Tc-99m), through photonuclear reactions in molybdenum-100 (Mo-100). In this approach, a target comprising multiple thin disks of enriched molybdenum metal is bombarded with a 40-MeV electron beam. Electrons impinged on the molybdenum target produce bremsstrahlung X-rays that cause the nuclear reaction. Because enriched Mo-100 is expensive, there is a desire to utilize as much beam power as possible to achieve maximum production yield and minimize the size of the target. This requirement leads to very high beam power density (and heat deposition in the target), which creates challenging requirements for the cooling of the target. The critical part of the target is the target window. It separates the high-pressure helium cooled target from the vacuum beamline and the subject of structural and thermal stress. The temperature of the target window is proportional to the energy density deposited by the beam, so it is critical to maintain the desired beam profile on the target window. The feasibility of indirectly monitoring the maximum energy density of the beam on the beam window through beam losses at the main collimator (Collimator) before the production target was verified. A model of the NorthStar beam transport line was constructed for this purpose using MAD-X and Tao/Bmad codes. Beam optics were computed for the standard operational scenario, followed by an investigation involving approximately 400 cases with parameter variations in the last tuning quadrupoles. This was done to assess the correlation between losses in the collimator and the peak energy density on the target. We developed a model to explore the potential application of Optical transition radiation (OTR) for controlling beam parameters in the NorthStar beam delivery system. This model was based on a generic formula derived from the fundamental solution of the inhomogeneous wave equation of the vector potential, and allowed us to consider various surfaces, even those with irregular or random features, using numerical integration. We applied the model to OTR generated by relativistic electrons impacting an Inconel® 718 beam window. We examined cases with different levels of the window’s surface roughness, ranging from 0.5 to 3.0 microns of root square mean (RMS) deviation. The results of the OTR simulations provided distributions of OTR photons that can be used to study the limitations of optical systems for controlling beam parameters.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

LLNL NESHAPs 2023 Annual Report

Lawrence Livermore National Security, LLC operates facilities at Lawrence Livermore National Laboratory (LLNL) in which radionuclides are handled and stored. These facilities are subject to the U.S. Environmental Protection Agency (EPA) National Emission Standards for Hazardous Air Pollutants (NESHAPs) in Code of Federal Regulations (CFR) Title 40, Part 61, Subpart H, which regulates radionuclide emissions to air from Department of Energy (DOE) facilities. Specifically, NESHAPs limits the emission of radionuclides to the ambient air to levels resulting in an annual effective dose equivalent of 10 mrem (100 µSv) to any member of the public. Using measured and calculated emissions, and building-specific and common parameters, LLNL personnel applied the EPA-approved computer code, CAP88-PC, Version 4.1.1.0, to calculate the dose to the maximally exposed individual member of the public for the Livermore Site and Site 300.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

FAIR Data Meets FAIR Software

Modern scientific research is increasingly defined by the interplay between data, software, and the workflows that connect them. Yet while the FAIR (Findable, Accessible, Interoperable, Reusable) principles have become foundational for scientific data stewardship, the same level of structure and expectation has only recently begun to extend to research software. This talk covers why and how FAIR principles are being applied to data and software to support data reuse. It outlines the gaps in current sharing norms, the growing federal emphasis on persistent identifiers and public access, and the opportunities created when datasets, computational workflows, code, and models are linked through rich, standardized metadata. Practical implementation pathways for the EIC and JLab communities are described, including datacards for structured dataset documentation and provenance-aware workflows. By aligning data lifecycle management with FAIR-aligned software practices, the scientific community can advance toward autonomous knowledge graphs, generative workflows, and high-quality, AI-ready scientific datasets.

McSpadden, Diana [Thomas Jefferson National Accele↗
DOE OSTI2018

Preproduction Using Automated Process Design

A new approach to the computer-assisted design (CAD) of machining processes is outlined. Mathematical apparatus for the solution of standard problems is proposed, and the source code for its implementation is developed. The source code for an experimental CAD system is developed. An interactive graphical input is used for dimensional data.

42 ENGINEERING↗
DOE OSTI2017

Binary Black Hole Mergers from Field Triples: Properties, Rates, and the Impact of Stellar Evolution

We consider the formation of binary black hole (BH) mergers through the evolution of field massive triple stars. In this scenario, favorable conditions for the inspiral of a BH binary are initiated by its gravitational interaction with a distant companion, rather than by a common-envelope phase invoked in standard binary evolution models. We use a code that follows self-consistently the evolution of massive triple stars, combining the secular triple dynamics (Lidov–Kozai cycles) with stellar evolution. After a BH triple is formed, its dynamical evolution is computed using either the orbit-averaged equations of motion, or a high-precision direct integrator for triples with weaker hierarchies for which the secular perturbation theory breaks down. Most BH mergers in our models are produced in the latter non-secular dynamical regime. We derive the properties of the merging binaries and compute a BH merger rate in the range (0.3–1.3) Gpc{sup −3} yr{sup −1}, or up to ≈2.5 Gpc{sup −3} yr{sup −1} if the BH orbital planes have initially random orientation. Finally, we show that BH mergers from the triple channel have significantly higher eccentricities than those formed through the evolution of massive binaries or in dense star clusters. Measured eccentricities could therefore be used to uniquely identify binary mergers formed through the evolution of triple stars. While our results suggest up to ≈10 detections per year with Advanced-LIGO, the high eccentricities could render the merging binaries harder to detect with planned space based interferometers such as LISA.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the Information in Spike Timing: Neural Codes Derived from Polychronous Groups

There is growing evidence regarding the importance of spike timing in neural information processing, with even a small number of spikes carrying information, but computational models lag significantly behind those for rate coding. Experimental evidence on neuronal behavior is consistent with the dynamical and state dependent behavior provided by recurrent connections. This motivates the minimalistic abstraction investigated in this paper, aimed at providing insight into information encoding in spike timing via recurrent connections. We employ information-theoretic techniques for a simple reservoir model which encodes input spatiotemporal patterns into a sparse neural code, translating the polychronous groups introduced by Izhike-vich into codewords on which we can perform standard vector operations. Finally, we show that the distance properties of the code are similar to those for (optimal) random codes. In particular, the code meets benchmarks associated with both linear classification and capacity, with the latter scaling exponentially with reservoir size.

computational modeling↗
DOE OSTI2020

Applying the Gyrokinetic Formulation of Magnetized Plasma Dynamics to Z-pinch plasmas

This project adapts and applies the gyrokinetic Eulerian code COGENT to an emerging area of highly-magnetized Z-pinch plasma systems. Simulation efforts for these plasmas currently use either magneto-hydrodynamic (MHD) fluid codes, which suffer from fidelity being restricted to narrow plasma conditions, or fully kinetic particle-in-cell (PIC) methods, which suffer from the run-time needed to resolve the very small spatial and temporal scales required for the plasma conditions. The progress with achieving detailed theoretical understanding of Z-pinch plasma systems can be greatly expedited using some combination of gyrokinetic and drift-ordered MHD models, developed in the tokamak community and implemented in the COGENT code. These formulations are applicable to a much larger parameter space than standard MHD models, while providing a substantial speed-up in run-time over fully kinetic codes. In particular, the gyrokinetic formalism is successfully applied to a flow-stabilized Z pinch (FSZP) system – a promising fusion concept where a sheared axial flow is used to provide stability against large-scale ideal-MHD modes. Results of gyrokinetic simulations with COGENT agree well with those from fully kinetic simulations, while requiring ~500x less run-time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer

Fixed-node diffusion quantum Monte Carlo (FN-DMC) is a widely trusted many-body method for solving the Schrödinger equation, known for its reliable predictions of material and molecular properties. Furthermore, its excellent scalability with system complexity and near-perfect utilization of computational power make FN-DMC ideally positioned to leverage new advances in computing to address increasingly complex scientific problems. Even though the method is widely used as a computational gold standard, reproducibility across the numerous FN-DMC code implementations has yet to be demonstrated. This difficulty stems from the diverse array of DMC algorithms and trial wave functions, compounded by the method’s inherent stochastic nature. Here, this study represents a community-wide effort to assess the reproducibility of the method, affirming that yes, FN-DMC is reproducible (when handled with care). Using the water–methane dimer as the canonical test case, we compare results from eleven different FN-DMC codes and show that the approximations to treat the non-locality of pseudopotentials are the primary source of the discrepancies between them. In particular, we demonstrate that, for the same choice of determinantal component in the trial wave function, reliable and reproducible predictions can be achieved by employing the T-move, the determinant locality approximation, or the determinant T-move schemes, while the older locality approximation leads to considerable variability in results. These findings demonstrate that, with appropriate choices of algorithmic details, fixed-node DMC is reproducible across diverse community codes—highlighting the maturity and robustness of the method as a tool for open and reliable computational science.

Della Pia, Flaviano [Univ. of Cambridge (United Ki↗
DOE OSTI2017

Marine Sciences Laboratory Radionuclide Air Emissions

The U.S. Department of Energy Office of Science (DOE-SC) Pacific Northwest Site Office has oversight and stewardship duties associated with the Pacific Northwest National Laboratory Marine Sciences Laboratory (MSL), located on Battelle Land-Sequim. The facility has two buildings with the potential to emit low levels of radioactive materials. DOE-SC contracted for exclusive use of its radiological operations effective October 1, 2012. This report is prepared to document compliance with the Code of Federal Regulation, Title 40, Protection of the Environment, Part 61, National Emission Standards for Hazardous Air Pollutants , Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities” and Washington Administrative Code Chapter 246-247, Radiation Protection–Air Emissions . Compliance is indicated by comparing the estimated effective dose equivalent (EDE) to the maximally exposed individual (MEI) with the 10 millirem per year (mrem/yr) U.S. Environmental Protection Agency (EPA) standard. The MSL has only fugitive emissions sources. Despite the fact that the regulations are intended for application to point source emissions, fugitive emissions are included with regard to complying with the EPA standard. The EDE to the MSL MEI due to routine operations in 2016 was 5.7E-04 mrem (5.7E-06 mSv). No non-routine emissions occurred in 2016. The MSL is in compliance with the federal and state 10 mrem/yr standard.

40 CFR 61 Subpart H↗
DOE OSTI2018

Marine Sciences Laboratory Radionuclide Air Emissions Report for Calendar Year 2017

The U.S. Department of Energy Office of Science (DOE-SC) Pacific Northwest Site Office has oversight and stewardship duties associated with the Pacific Northwest National Laboratory Marine Sciences Laboratory (MSL), located on Battelle Land-Sequim. The facility has two buildings with the potential to emit low levels of radioactive materials. This report is prepared to document compliance with the Code of Federal Regulation, Title 40, Protection of the Environment, Part 61, National Emission Standards for Hazardous Air Pollutants, Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities” and Washington Administrative Code Chapter 246-247, Radiation Protection–Air Emissions. Compliance is indicated by comparing the estimated effective dose equivalent (EDE) to the maximally exposed individual (MEI) with the 10 millirem per year (mrem/yr) U.S. Environmental Protection Agency (EPA) standard. The MSL has only fugitive emissions sources. Despite the fact that the regulations are intended for application to point source emissions, fugitive emissions are included with regard to complying with the EPA standard. The EDE to the MSL MEI due to routine operations in 2017 was 1.6E-04 mrem (1.6E-06 mSv). No non-routine emissions occurred in 2017. The MSL is in compliance with the federal and state 10 mrem/yr standard.

40 CFR 61 Subpart H↗
DOE OSTI2019

Marine Sciences Laboratory Radionuclide Air Emissions Report for Calendar Year 2018

The U.S. Department of Energy Office of Science (DOE-SC) Pacific Northwest Site Office has oversight and stewardship duties associated with the Pacific Northwest National Laboratory Marine Sciences Laboratory (MSL), located on Battelle Land-Sequim. The facility has two buildings with the potential to emit low levels of radioactive materials. This report is prepared to document compliance with the Code of Federal Regulation, Title 40, Protection of the Environment, Part 61, National Emission Standards for Hazardous Air Pollutants, Subpart H, “National Emission Standards for Emissions of Radionuclides Other than Radon from Department of Energy Facilities” and Washington Administrative Code Chapter 246-247, Radiation Protection–Air Emissions. Compliance is indicated by comparing the estimated effective dose equivalent (EDE) to the maximally exposed individual (MEI) with the 10 millirem per year (mrem/yr) U.S. Environmental Protection Agency (EPA) standard. The MSL has only fugitive emissions sources. Despite the fact that the regulations are intended for application to point source emissions, fugitive emissions are included with regard to complying with the EPA standard. The EDE to the MSL MEI due to routine operations in 2018 was 4.5E-04 mrem (4.5E-06 mSv). No non-routine emissions occurred in 2018. The MSL is in compliance with the federal and state 10 mrem/yr standard.

40 CFR 61 Subpart H↗