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At least 271 records · Page 15

Exact enforcement of temporal continuity in sequential physics-informed neural networks

The use of deep learning methods in scientific computing represents a potential paradigm shift in engineering problem solving. One of the most prominent developments is Physics-Informed Neural Networks (PINNs), in which neural networks are trained to satisfy partial differential equations (PDEs). While this method shows promise, the standard version has been shown to struggle in accurately predicting the dynamic behavior of time-dependent problems. To address this challenge, methods have been proposed that decompose the time domain into multiple segments, employing a distinct neural network in each segment and directly incorporating continuity between them in the loss function of the minimization problem. In this work we introduce a method to exactly enforce continuity between successive time segments via a solution ansatz. This hard constrained sequential PINN (HCS-PINN) method is simple to implement and eliminates the need for any loss terms associated with temporal continuity. The method is tested for a number of benchmark problems involving both linear and non-linear PDEs. Examples include various first order time dependent problems in which traditional PINNs struggle, namely advection, Allen–Cahn, and Korteweg–de Vries equations. Furthermore, second and third order time-dependent problems are demonstrated via wave and Jerky dynamics examples, respectively. Notably, the Jerky dynamics problem is chaotic, making the problem especially sensitive to temporal accuracy. Finally, the numerical experiments conducted with the proposed method demonstrated superior convergence and accuracy over both traditional PINNs and the soft-constrained counterparts.

42 ENGINEERING↗

Optimizing the design and operation of water networks: Two decomposition approaches

We consider the design and operation of water networks simultaneously. Water network problems can be divided into two categories: the design problem and the operation problem. The design problem involves determining the appropriate pipe sizing and placements of pump stations, while the operation problem involves scheduling pump stations over multiple time periods to account for changes in supply and demand. Our focus is on networks that involve water co-produced with oil and gas. While solving the optimization formulation for such networks, we found that obtaining a primal (feasible) solution is more challenging than obtaining dual bounds using off-the-shelf mixed-integer nonlinear programming solvers. Therefore, we propose two methods to obtain good primal solutions. One method involves a decomposition framework that utilizes a convex reformulation, while the other is based on time decomposition. To test our proposed methods, we conduct computational experiments on a network derived from the PARETO case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Final Design for Additional Thermal/Epithermal eXperiments (TEX) with Sodium Chloride Absorbers to Provide Validation Benchmarks for TerraPower

The first set of Thermal/Epithermal eXperiments (TEX) with chlorine absorbers (TEX-Cl) were executed in Q4FY24 and are in the process of being benchmarked for the ICSBEP. TEX-Cl builds upon the TEX-HEU baseline cases that were published in the 2022 International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook. TEX-HEU, like TEX-Pu, was designed to be modular to allow for the incorporation of various absorbers and reflectors to test nuclear data and application case needs. For example, TEX-HEU with hafnium (TEX-Hf) utilizes hafnium plates as both absorbers and reflectors, depending on the tested configuration. A second set of chlorine experiments, dubbed More TEX-Cl, are laid out in this report to meet the needs of TerraPower for chlorine validation for their Molten Chloride Fast Reactor (MCFR) systems. TerraPower’s Molten Chloride Reactor Experiment (MCRE) and MCFR are fast molten salt reactors that utilize sodium chloride (NaCl) salt eutectics as the fuel and coolant. The MCRE eutectic is a mixture of NaCl and uranium trichloride (UCl 3 ). An abundant need for chlorine absorption validation has been expressed by multiple members of the community, including Y-12 (whose needs were addressed with the first set of experiments), LANL (whose needs were addressed with the Chlorine Worth Study (CWS)), TerraPower, institute de radioprotection et de sûreté nucléaire (IRSN), Savannah River Nuclear Solutions (SNRS), and others. Of the members who have expressed interest in this validation, most are interested in the fast neutron energy region, where the 35 Cl(n,p) reaction is most prominent. New 35 Cl(n,p) differential cross section measurements performed by LANL at LANCSE show substantial changes to the cross sections (Figure 1) and may be validated through these experiments as some configurations are optimally sensitive to this cross section.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Root genetics in the field to understand drought adaptation and carbon sequestration (Final Scientific/Technical Report)

For all crop plants, roots play a critical role in growth. Roots anchor the plants, and are the primary site of nutrient and water uptake. Roots are also the main source of C to soil in the form of root tissues and exudates, and thus greatly influence SOM stocks. To perform these functions, primary roots extend into soil, producing a network of branching roots of characteristic form, known as its root system architecture (RSA). RSA varies among species, and among varieties within a species that are adapted to different environments. Root traits are major targets for the second green revolution because of their potential to improve crop productivity, increase drought tolerance and nutrient acquisition, and increase C capture of soil. Improving the quality of roots in maize will be particularly valuable, since this crop is planted on over 92 million acres annually in the US. The future sustainability of agricultural systems relies on their ability to enhance soil organic matter (SOM) storage and reduce GHG emissions, while maintaining or enhancing productivity. This program had two components, Sensors and Models. For the first component, we designed and built a high-throughput phenotyping platform for root pulling of maize plants. This eliminated the physical labor of manually pulling up plants and reduced the number of personnel required down to one. The standardized pulling mechanism allowed recording force curves during the pulling process, providing additional information. We validated that the maximum force for pulling the root system was well-correlated with the root system mass and provided root crowns for further RSA analysis. These root crowns identified significant correlations with 2D root area and root depth, along with 3D root volume, total root length and number of root tips. We then used this system for field-based studies in maize on the genetics of root system architecture and its relation to nitrogen-use efficiency (NUE), including using lines relevant to the Corteva breeding program. Varieties were also evaluated at Corteva sites in the cornbelt and Danforth farm in Missouri, to establish responses across sites. From these studies we have identified genetic loci associated with root traits and created mutant lines for these loci and correlations of root traits with NUE. For the Models component, we worked to incorporate root and soil characteristics into the MEMS 2.0 soil and ecosystem biogeochemical model. Existing soil C models, such as Century, are unable to represent specific root trait interactions with the soil environment and therefore to accurately forecast the potential C sequestration benefits of root breeding under different climatic and soil type conditions. We have developed the MEMS 2.0 ecosystem biogeochemical model to improve quantification of farm-scale soil carbon and greenhouse gas emissions. The new knowledge and large datasets produced by this project will be used to develop and drive an innovative model capable of forecasting the impacts on soil C stocks and nutrient dynamics. An innovation was to use the empirical data from the field studies (in 1, above) to model genetic variation in nitrogen use efficiencies and soil C input. Our work demonstrated that maize root-derived C rapidly replaces existing soil C and after 3 years of continuous maize, up to 20% of soil organic C in the topsoil (0-15cm) and 3% in the subsoil (15-30cm) was contributed by maize. However, this contribution did not entirely represent a net increase. Root C contribution to soil was affected by maize genetics. We have analyzed soils derived from the CSU field trials for C and N stocks, in the different soil physical fractions represented by the MEMS model, using both physical fractionation with elemental analyses, and Fourier transformed infrared spectroscopy. Data will be used to link crop nitrogen use efficiencies with soil C sequestration and provide data to bridge the field trials with the model development, for verification of model predictions. The project had a number of successful outcomes: we have used the new phenotyping platform to identify new genetic loci that can enhance root phenotypes; we have partnered with multiple maize seed companies phenotype varieties in their breeding programs; we have developed the MEMS model that can help inform industry on the potential for carbon sequestration in the agricultural sector, and which is now available at the CSU Soil Carbon Solutions Center for use.

59 BASIC BIOLOGICAL SCIENCES↗

Optimization of wall assembly for DOE Efficient New Homes Program in HUD’s Climate Zones 2 and 3

Manufactured homes provide affordable housing for over 20 million Americans. The U.S. Department of Energy’s Efficient New Homes (ENH) program has introduced new energy certification requirements that manufacturers can optionally target to ensure outstanding levels of energy savings, comfort, health, and durability. In collaboration with Clayton Homes (under User Agreement (NN-23-1469)), Oak Ridge National Laboratory evaluated multiple wall assembly options to meet ENH requirements in HUD Climate Zones 2 and 3, with a target maximum cost premium of 5%. After analyzing thermal performance, cost, and manufacturability, insulated structural sheathing was identified as the most practical and effective solution. A full-scale manufactured home prototype demonstrated that this approach meets energy performance goals with minimal disruption to existing manufacturing processes and a cost premium of less than 10% with a path to further lower costs, offering a promising path forward for more efficient manufactured housing.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Chromium-for-Aluminum Substitution in Synthetic Serpentine

Cr-bearing clay minerals are products of hydrothermal alteration and fluid–rock interactions of ultramafic rocks that form serpentine minerals. Cr is typically observed to substitute for Al in serpentine minerals, but the crystal chemistry and environmental constraints on this substitution are unknown. Here, we synthesized endmember and Cr-substituted amesite, a typical Al-serpentine mineral, via the hydrothermal method. We found that the phase purity highly depends on the pH of the hydrothermal solution, which should be controlled at ~12.7 to avoid the formation of impurity phases. Additionally, amesite can incorporate Cr at a concentration equivalent to ~39.5% substitution of Al. The Cr-free and Cr-substituted amesite are highly defective and contain multiple polytypes, including 6R 2 , 2M 1 , and possibly 2H 2 . However, the relative proportions of these polytypes do not change with increasing chromium substitution.

Al-lizardite↗

Heavy-Duty Nonroad Material Handler Electrification Part 1: Real-World Drive Cycle Development

Knowing a detailed operating cycle is critical for developing and testing equipment. Operating cycles can be separated by two clear distinctions: (1) regulatory or non-regulatory and (2) application at the engine-only or full machine level. The Environmental Protection Agency’s (EPA) Nonroad Transient Cycle (NRTC) may be a good representation of engine use in many types of equipment, but there is a gap in standardized and validated drive cycles specifically for nonroad material handlers. Lacking a standardized drive cycle makes it difficult to accurately benchmark machine performance and validate new powertrain technologies. The objective of this investigation is to illustrate the development of a custom drive cycle augmented with real-world customer use data that serves multiple purposes: (1) understand the range of operation and utilization that formulated inputs for electrified architecture analysis and (2) develop a repetitive and consistent maneuver to establish baseline energy consumption enabling equivalent comparison to future electrified prototype builds. This article presents a solution specifically for a 23-ton nonroad material handler in which material handling, machine transport, and extended idle were homologated to form representative short cycles defined by machine velocity and hydraulic cylinder position. The most intensive material handling short cycles had a load factor of 40% and an average fuel rate of 16 L/h. Combined with a visual aid, the short cycles exhibited low variability, having less than 5% root mean square (RMS) error in lift and reach position with respect to the average. The machine’s performance on these short cycles at the Advanced Power Systems Research Center (APSRC) was compared to results from two real-world customer locations operating the instrumented test machine in a cyclical manner, and for similar ground conditions were found to be comparable in fuel consumption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Elucidating microstructural evolution and hardness variation across friction self-piercing riveted Al-7055 using synchrotron X-ray scattering and advanced microscopy techniques

Friction self-piercing riveting (FSPR) is a unique hybrid joining technique that combines the advantages of mechanical interlocking, frictional heat, and solid-state joining (if metallurgically compatible) to produce crack free joints in high strength and/or low-ductility alloys at room temperature. Here, in the current study, Al-7055 sheets were joined using FSPR for lightweight automotive applications and significant microhardness variations were observed across the joint cross-section. A detailed microstructural characterization at multiple length scales was carried out using advanced electron microscopy and X-ray scattering techniques to provide a fundamental understanding of the process-structure-property relationships. The relative contributions of microstructural characteristics at various length scales (i.e., grain size, dislocation density, solute concentration, precipitate nature) to strengthening were estimated using existent formulations (i.e., Hall-Petch, Taylor, precipitate bypass/shear equations) and correlated to the observed microhardness values across different regions. Small-angle X-ray scattering and scanning transmission electron microscopy revealed significant changes in the size and volume fraction of precipitate species, i.e., GP-I Zones, η′, and Mg/Zn solute co-clusters, depending on the process region. It was observed that the dissolution of the small η′/GP-I zones (T ∼ 150–200 °C) in the heat-affected zone were the key reason for the hardness drop. Further, it was shown that solid-solution, dislocation, grain size and solute co-cluster strengthening played a key role in the thermo-mechanically affected zone and grain-refined zone (GRZ). Finally, these observations were leveraged along with the Zener-Holloman relationship and grain size in the GRZ to estimate the peak joining temperature of the GRZ (∼ 350 °C) near the steel rivet.

aluminum 7xxx alloy↗

MSD CoP Webinar: Applied Science for Decision-Making at the Water-Energy Nexus

Context: This webinar was hosted by the MultiSector Dynamics Community of Practice (MSD CoP; https://multisectordynamics.org). Abstract: The energy transition is a game-changer across multiple sectors, requiring researchers and practitioners to re-evaluate the evolving connections between climate, water, and power systems, as well as the associated co-management of resources and decision-making. In anticipation of new technologies, policies, business models, and other solutions, applied science for decision-making at the climate-water-energy nexus is needed to support transitions with the expected climate resilience, maintained and enhanced energy security, thriving economies, and equity considerations. Through panelists' applied research and operational experience, the webinar will provide lesson-learnt in how to increase the readiness of water-energy research and become actionable in the context of energy transitions. A number of themes will be discussed, including the connection between growing computational resources and complexity of models, and the implications on the intended users, the actual actionable products, the availability of data for validation of the models, uncertainty characterization and decision-making under uncertainty, and the communication of the novelty to decision-makers and the public. Presenters : David McCollum (Oak Ridge National Laboratory; Co-Chair), and Gokul Iyer (Pacific Northwest National Laboratory; Co-Chair), Curt Jawdy (Tennessee Valley Authority), Nathalie Voisin (Pacific Northwest National Laboratory), and Andrew D. Jones (Lawrence Berkeley National Laboratory) Moderator: Pat M. Reed (MSD CoP Facilitation Team) This webinar was held on: April 30, 2024 from 1-2 PM ET

Energy↗

Angular Correlations of Gamma Rays from Fission Product Solution

Fission products from photon-induced fission are routinely used at Idaho National Laboratory as part of nuclear forensics activities. Typically, the focus is on fission products with relatively large fission yields (Ba-140, Mo-99, etc.). The nuclear data associated with the well-known isotopes have small uncertainties, and many have well-known angular correlations between emitted gamma-rays, if applicable. However, for isotopes with smaller fission yields or less intense gamma-ray emission intensities, the nuclear decay schemes and gamma-ray emission intensities may be less well-known. The Germanium Rotational Measurements for Angular Correlation (GeRMAC) system was designed to use two high-purity germanium (HPGe) detectors in a coincidence counting set-up but allows one of the HPGe detectors to rotate at a constant distance from a radioactive source, changing the relative angle between the two HPGe detectors. Angular correlations can then be determined from the relative photopeak areas between two gamma-rays emitted as part of the same nuclear decay. By recording the HPGe spectra in list mode, the angular correlations of gamma-rays emitted from complex sources, consisting of multiple isotopes, can be measured simultaneously and the individual isotope emissions can be isolated. Using the GeRMAC system, a multi-isotope fission product source, produced with photon-induced fission of U-238, was measured using a single rotational arc (180 degrees) to obtain the angular correlation between gamma-rays emitted by the large number of fission products contained in the solution with an angular accuracy of 1 degree. In particular, La-140 (38 gamma rays) and Nd-147 (26 gamma rays) are of interest to the nuclear forensics community.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Automated SEM analysis of particles in Hanford tank waste

Multiple bench-scale filtration campaigns of Hanford tank waste supernatant on a backpulseable dead-end filtration skid have provided greater insight into the solids that cause fouling and reduce filter performance. The solids collected during each campaign were concentrated from the backpulse solutions and examined using automated particle analysis (APA) methods with scanning electron microscopy (SEM) and x-ray energy dispersive spectroscopy (EDS), to categorize particle types and their morphological characteristics. Finally, we show that with APA, thousands of particles can be analyzed that can provide accurate insight into the phases that may be impacting filter performance.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

De Novo Design of Proteins That Bind Naphthalenediimides, Powerful Photooxidants with Tunable Photophysical Properties

De novo protein design provides a framework to test our understanding of protein function and build proteins with cofactors and functions not found in nature. Here, we report the design of proteins designed to bind powerful photooxidants and the evaluation of the use of these proteins to generate diffusible small-molecule reactive species. Because excited-state dynamics are influenced by the dynamics and hydration of a photooxidant’s environment, it was important to not only design a binding site but also to evaluate its dynamic properties. Thus, we used computational design in conjunction with molecular dynamics (MD) simulations to design a protein, designated NBP (NDI Binding Protein), that held a naphthalenediimide (NDI), a powerful photooxidant, in a programmable molecular environment. Solution NMR confirmed the structure of the complex. We evaluated two NDI cofactors in this de novo protein using ultrafast pump–probe spectroscopy to evaluate light-triggered intra- and intermolecular electron transfer function. Moreover, we demonstrated the utility of this platform to activate multiple molecular probes for protein labeling.

carbonyls↗

Distributed fiber-optic sensing in a subscale high-temperature superconducting dipole magnet

High-temperature superconductors, such as REBa2Cu3O7−x (REBCO, RE = rare earth), are becoming pivotal for high-field magnet technology for future circular colliders and compact fusion reactors. The U.S. Magnet Development Program, in collaboration with industry, is developing REBCO magnet technology using round conductors consisting of multiple REBCO tapes. For these multi-tape cables, traditional instrumentation, such as voltage taps and resistive strain gauges, become insufficient to help measure and understand the performance-limiting factors in these model magnets. Distributed fiber-optic sensing (DFOS) is a potential solution to address this challenge. Although DFOS is well established for various applications, measuring temperature and strain in high-temperature superconducting magnets is in its infancy. Here we report the detailed implementation and test results of DFOS based on Rayleigh scattering in a subscale canted cosθ (CCT) dipole magnet using high-temperature superconducting CORC® wires. We co-wound optical fibers in each layer of the CCT magnet and compared different types of commercial fibers and mold-release agents to reduce the power attenuation in the fibers. The DFOS allowed us to measure mechanical deformation and temperature along the conductor during tests at 77 and 4.2 K. The measured strain agreed quantitively with a finite-element mechanical model of the subscale magnet. Our results indicate that DFOS can effectively identify locations of strain and temperature changes, offering unique insight into magnet performance that can advance our understanding and development of the REBCO magnet technology for high-energy physics and fusion applications.

Luo, Linqing↗

NSVA-3 Spectrum Adjustment Code

SAND2025-03756O The NSVA-3 Spectrum Adjustment Code performs a least-square spectrum adjustment on multiple neutron fields and provides a best-estimate neutron spectrum and associated uncertainty. The code was developed to perform a least-square spectrum adjustment for neutron benchmark fields. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Griffin, Patrick↗

Multifidelity_Timeseries

SAND2025-03305O Multifidelity Timeseries is a user-friendly tool designed to create advanced models for analyzing time-series data. It offers three modeling options, allowing users to choose the best fit for their specific needs. The software efficiently processes multiple data sources without the need for complex sampling methods. It helps uncover patterns and insights using data. The result is it is easier to make informed decisions for projects. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Katona, Ryan [Sandia National Lab. (SNL-CA), Liver↗

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Vitrification of Hanford Tank 241-AN-107 Waste and Equivalent Simulant

Hanford Site nuclear waste is to be vitrified at the Waste Treatment and Immobilization Plant (WTP), which is a part of the safe and efficient retrieval, treatment, and disposal mission of the U.S. Department of Energy Office of River Protection. Hanford tank 241-AN-107 (referred to herein as AN-107) is one of the initial Hanford radioactive tank wastes planned to be processed and vitrified. A portion of AN-107 waste was retrieved by Washington River Protection Solutions, LLC (WRPS) and transferred to Pacific Northwest National Laboratory (PNNL). Compared to previously received and vitrified wastes (AP-107, AP-105, and AP-105), the concentration of organics in AN-107 was greater by an order of magnitude, while the activity of radionuclides was multiple orders of magnitude greater.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Detection of Br and I as atomic anions using liquid sampling – atmospheric pressure glow discharge/Orbitrap mass spectrometry

The quantification and determination of halogen isotope composition is essential in many fields including geochemistry and nuclear forensics. Detection of the halogen elements is commonly attempted with inductively coupled plasma mass spectrometry (ICP-MS) however, there are multiple challenges faced. Most significantly this includes very poor ionization efficiency and the potential for isobaric interferences from either matrix or plasma species. Thus, sensitivity and accuracy are often limiting issues. Here a liquid sampling-atmospheric pressure glow discharge (LS-APGD) ionization source is coupled with an ultrahigh resolution Orbitrap MS to perform halogen detection of bromine and iodine as initial analytes. This facilitates simple and sensitive detection of these elements as atomic anions from simple aqueous salt solutions. Collision-induced dissociation (CID) and higher-energy collisional dissociation (HCD) energies were optimized to produce the maximum response of Br − and I − . The LS-APGD conditions were optimized using a design of experiments (DOE) approach for Br − and I − concurrently. Response curves for Br − and I − solutions determined limit of detection (LOD) values of 50 pg and 5 pg, respectively, in 20 μL aliquots. The curves indicated response factors of 0.67 for 79 Br − and 0.90 for 127 I − . Br isotope ratios were determined with precision between 0.7 and 7.3% RSD, with the isotope ratios determined with precision 0.8% RSD at concentrations above the limit of quantification. Preliminary tests were conducted to evaluate the effect of different cations (Na + , K + , and Mg 2+ ) on Br − responses, with no discernible impacts observed on the halogen signal responses. This study demonstrates the potential use of the LS-APGD-Orbitrap-MS for the detection of multiple halogens while avoiding interferences, minimizing sample preparation, and overcoming ionization barriers.

Lang, Dehlia A. [Clemson University, SC (United St↗