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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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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Rapid in situ nutrient element distribution in plants and soils using laser-induced breakdown spectroscopy ($\mathrm{LIBS}$)

The aim of this study is to develop and test the applicability of a rapid in situ plant chemistry profiling technique to determine elemental composition of small-volume plant and soil samples obtained from a woody bioenergy crop species, Populus trichocarpa. Expanding the research tools available to characterize the nutrient element correlations among plant tissue types and soil depths is a critical need in the path of understanding productivity and adaptation of plants to variations in external abiotic and biotic factors and developing sustainable perennial bioenergy crops that are co-optimized for biomass valorization aboveground and carbon sequestration belowground. Several plant root, stem, and soil samples were tested using laser-induced breakdown spectroscopy (LIBS) to evaluate the presence and distribution of nutrient elements. Samples were tested as collected and after being dried and cross sectioned to evaluate the effectiveness of using LIBS for in situ analysis on plant samples. The collected LIBS spectra show the elemental peaks were the same in both the as collected and prepared samples for roots and stems. Qualitative amounts of elements such as H, C, N, O, Li, Na, Mg, K, Ca, Fe, Al, and Si were able to be identified rapidly in raw samples. Here in this report we demonstrate suitability of LIBS in obtaining rapid, in situ, elemental distribution in plant and soil samples, utilizing only small sample volumes and minimal sample preparation. This demonstration opens up a new rapid phenotyping avenue necessary to fill the asymmetrical knowledge gaps in belowground performance of plant systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Application of Atmospheric Solids Analysis Probe Mass Spectrometry (ASAP-MS) in Petroleomics: Analysis of Condensed Aromatics Standards, Crude Oil, and Paraffinic Fraction

Atmospheric solids analysis probe mass spectrometry (ASAP-MS) is a powerful tool for analysis of solid and liquid samples. It is an excellent alternative for crude oil analysis without any sample preparation step. Here, ASAP-MS in positive ion mode, ASAP(+)-MS, has been optimized for analysis of condensed aromatics (CA) standards, crude oil, and paraffinic fraction samples using a Synapt G2-S HDMS. Initially, two methodologies were used to access the chemical composition of samples: (1) using a temperature gradient varying from 150 to 600 °C at a heating rate of 150 °C min{sup –1}, and (2) with constant temperature of 300 and 400 °C. ASAP(+)-MS ionized many compounds with a typical petroleum profile, showing a greater signals range of m/z 250–1300 and 200–1400 for crude oil and paraffin samples, respectively. Such performance, mainly related to the detection of high molecular weight compounds (>1000 Da), is superior to that of other traditional ionization sources, such as ESI, APCI, DART, and DESI. Additionally, the CA standards were identified in both forms: radicals, [M]{sup +•}, and protonated cations, [M + H]{sup +}, with minimum fragmentation. Therefore, ASAP was more efficient in accessing the chemical composition of nonpolar and polar compounds. It is promising in its application with ultrahigh resolution MS instruments, such as FT-ICR MS and Orbitrap, since molecular formulas with greater resolution and mass accuracy (<1 ppm) would be assigned. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Chemical and biological conversion of crude glycerol derived from waste cooking oil to biodiesel

Highlights: • Crude glycerol was converted to biodiesel by chemical and biological method. • Purified glycerol is a promising carbon source for lipid production from microbe. • The study created a green cycle of crude glycerol application in energy production. - Abstract: In this study, crude, purified, and pure glycerol were used to cultivate Trichosporon oleaginosus for lipid production which was then used as feedstock of biodiesel production. The purified glycerol was obtained from crude glycerol by removing soap with addition of H{sub 3}PO{sub 4} which converted soap to free fatty acids and then separated from the solution. The results showed that purified glycerol provided similar performance as pure glycerol in lipid accumulation; however, crude glycerol as carbon source had negatively impacted the lipid production of T. oleaginosus. Purified glycerol was later used to determine the optimal glycerol concentration for lipid production. The highest lipid yield 0.19 g/g glycerol was obtained at 50 g/L purified glycerol in which the biomass concentration and lipid content were 10.75 g/L and 47% w/w, respectively. An energy gain of 4150.51 MJ could be obtained with 1 tonne of the crude glycerol employed for biodiesel production through the process proposed in this study. The biodiesel production cost estimated was 6.32 US $/gal. Fatty acid profiles revealed that C16:0 and C18:1 were the major compounds of the biodiesel from the lipid produced by T. oleaginosus cultivated with crude and purified glycerol. The study found that purified glycerol was promising carbon source for biodiesel production.

09 BIOMASS FUELS↗
DOE OSTI2016

Controlled release of cortisone drugs from block copolymers synthetized by ATRP

Diseases affecting posterior eye segment, like macular edema, infection and neovascularization, may cause visual impairment. Traditional treatments, such as steroidal-drugs intravitreal injections, involve chronic course of therapy usually over a period of years. Moreover, they can require frequent administrations of drug in order to have an adequately disease control. This dramatically reduce patient’s compliance. Efforts have been made to develop implantable devices that offer an alternative therapeutic approach to bypass many challenges of conventional type of therapy. Implantable drug delivery systems (DDS) have been developed to optimize therapeutic properties of drugs and ensure their slow release in the specific site. Polymeric materials can play an essential role in modulating drug delivery and their use in such field has become indispensable. During last decades, acrylic polymers have obtained growing interest. Biocompatibility and chemical properties make them extremely versatile, allowing their use in many field such as biomedical. In particular, block methacrylate copolymer with a balance of hydrophilic and hydrophobic properties can be suitable for prolonged DDS in biomedical devices. In this work, we focused on the realization of a system for controlled and long term release of betamethasone 17,21-dipropionate (BDP), a cortisone drug, from methacrylic block copolymers, to be tested in the treatment of the posterior eye’s diseases. Different series of methyl methacrylate/hydroxyethyl methacrylate (MMA/HEMA) block and random copolymers, with different monomer compositions (10–60% HEMA), were synthetized by Atom Transfer Radical Polymerization (ATRP) to find the best hydrophilic/hydrophobic ratio, able to ensure optimal kinetic release. Copolymer samples were characterized by NMR spectroscopy ({sup 1}H-NMR, {sup 13}C-NMR, CosY), SEC, TGA and DSC. Monitoring of drug release from films loaded with BDP was carried out by HPLC analysis. Evaluation of different kinetic models allowed to deduce that release of BDP is controlled over time from PMMA-b-PHEMA 53/47. In particular, PMMA-b-PHEMA 53/47 showed the best release profile to achieve the therapeutic reference dose of 3 µg/die, employed in treatment of posterior eye disease, up to four months. Accordingly, PMMA-b-PHEMA 53/47 has been tested to prepare ocular inserts. Ocular inserts with different shape and the same area of polymer films have been obtained using silicon moulds made by a 3D printer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Direction Modulated Brachytherapy for Treatment of Cervical Cancer. II: Comparative Planning Study With Intracavitary and Intracavitary–Interstitial Techniques

Purpose: To perform a comprehensive comparative planning study evaluating the utility of the proposed direction modulated brachytherapy (DMBT) tandem applicator against standard applicators, in the setting of image guided adaptive brachytherapy of cervical cancer. Methods and Materials: A detailed conceptual article was published in 2014. The proposed DMBT tandem applicator has 6 peripheral grooves of 1.3-mm width, along a 5.4-mm-thick nonmagnetic tungsten alloy rod of density 18.0 g/cm{sup 3}, capable of generating directional dose profiles. We performed a comparative planning study with 45 cervical cancer patients enrolled consecutively in the prospective observational EMBRACE study. In all patients, MRI-based planning was performed while utilizing various tandem-ring (27 patients) and tandem-ring-needles (18 patients) applicators, in accordance with the Groupe Européen de Curiethérapie–European Society for Radiotherapy and Oncology recommendations. For unbiased comparisons, all cases were replanned with an in-house–developed inverse optimization code while enforcing a uniform set of constraints that are reflective of the clinical practice. All plans were normalized to the same high-risk clinical target volume D90 values achieved in the original clinical plans. Results: In general, if the standard tandem was replaced with the DMBT tandem while maintaining all other planning conditions the same, there was consistent improvement in the plan quality. For example, among the 18 tandem-ring-needles cases, the average D2cm{sup 3} reductions achieved were −2.48% ± 11.03%, −4.45% ± 5.24%, and −5.66% ± 6.43% for the bladder, rectum, and sigmoid, respectively. An opportunity may also exist in avoiding use of needles altogether for when the total number of needles required is small (approximately 2 to 3 needles or less), if DMBT tandem is used. Conclusions: Integrating the novel DMBT tandem onto both intracavitary and intracavitary–interstitial applicator assembly enabled consistent improvement in the sparing of the OARs, over a standard “single-channel” tandem, though individual variations in benefit were considerable. Although at an early stage of development, the DMBT concept design is demonstrated to be useful and pragmatic for potential clinical translation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

Ambient Mass Spectrometry Imaging Using Direct Liquid Extraction Techniques

Mass spectrometry imaging (MSI) is a powerful analytical technique that enables label-free spatial localization and identification of molecules in complex samples.1-4 MSI applications range from forensics5 to clinical research6 and from understanding microbial communication7-8 to imaging biomolecules in tissues.1, 9-10 Recently, MSI protocols have been reviewed.11 Ambient ionization techniques enable direct analysis of complex samples under atmospheric pressure without special sample pretreatment.3, 12-16 In fact, in ambient ionization mass spectrometry, sample processing (e.g., extraction, dilution, preconcentration, or desorption) occurs during the analysis.17 This substantially speeds up analysis and eliminates any possible effects of sample preparation on the localization of molecules in the sample.3, 8, 12-14, 18-20 Venter and co-workers have classified ambient ionization techniques into three major categories based on the sample processing steps involved: 1) liquid extraction techniques, in which analyte molecules are removed from the sample and extracted into a solvent prior to ionization; 2) desorption techniques capable of generating free ions directly from substrates; and 3) desorption techniques that produce larger particles subsequently captured by an electrospray plume and ionized.17 This review focuses on localized analysis and ambient imaging of complex samples using a subset of ambient ionization methods broadly defined as “liquid extraction techniques” based on the classification introduced by Venter and co-workers.17 Specifically, we include techniques where analyte molecules are desorbed from solid or liquid samples using charged droplet bombardment, liquid extraction, physisorption, chemisorption, mechanical force, laser ablation, or laser capture microdissection. Analyte extraction is followed by soft ionization that generates ions corresponding to intact species. Some of the key advantages of liquid extraction techniques include the ease of operation, ability to analyze samples in their native environments, speed of analysis, and ability to tune the extraction solvent composition to a problem at hand. For example, solvent composition may be optimized for efficient extraction of different classes of analytes from the sample or for quantification or online derivatization through reactive analysis. In this review, we will: 1) introduce individual liquid extraction techniques capable of localized analysis and imaging, 2) describe approaches for quantitative MSI experiments free of matrix effects, 3) discuss advantages of reactive analysis for MSI experiments, and 4) highlight selected applications (published between 2012 and 2015) that focus on imaging and spatial profiling of molecules in complex biological and environmental samples.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2020

Structure of the Electrical Double Layer at the Interface between an Ionic Liquid and Tungsten Oxide in Ion-Gated Transistors

The structure of electrical double layers at electrified interfaces is of utmost importance for electrochemical energy storage as well as printable, flexible, and bioelectronic devices, such as ion-gated transistors (IGTs). Here we report a study based on atomic force microscopy force–distance profiling on electrical double layers forming at the interface between the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and sol–gel films of mesoporous tungsten oxide. Here, we successfully followed, under in operando conditions, the evolution of the arrangement of the ions at the interface with the tungsten oxide films used as channel materials in IGTs. Our work sheds light on the mechanism of operation of IGTs, thus offering the possibility of optimizing their performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Top Launch for Higher Off-axis Electron Cyclotron Current Drive Efficiency

Efficient off-axis current drive is crucial for economic, steady-state tokamak fusion power plants. "Top Launch" electron cyclotron current drive (ECCD) is one promising method for driving strong off-axis current to achieve the desired broad current profile for the Advanced Tokamak regime. New simulations show that by launching the electron cyclotron (EC) waves downwards (or upwards) nearly parallel to the resonance plane with a large toroidal steering, higher current drive efficiency can be obtained at large radii owing to the large Doppler shift, wave-particle interactions on HFS of the plasma, and the long absorption path. Implementations on CFETR and DIII-D are simulated identifying clear benefits and optimal configurations. The design of a prototype test being installed on DIII-D is presented, which will experimentally validate whether top launch ECCD can be an improved efficiency current drive technique for future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

NSTX-U research advancing the physics of spherical tokamaks

Abstract The objectives of NSTX-U research are to reinforce the advantages of STs while addressing the challenges. To extend confinement physics of low- A , high beta plasmas to lower collisionality levels, understanding of the transport mechanisms that set confinement performance and pedestal profiles is being advanced through gyrokinetic simulations, reduced model development, and comparison to NSTX experiment, as well as improved simulation of RF heating. To develop stable non-inductive scenarios needed for steady-state operation, various performance-limiting modes of instability were studied, including MHD, tearing modes, and energetic particle instabilities. Predictive tools were developed, covering disruptions, runaway electrons, equilibrium reconstruction, and control tools. To develop power and particle handling techniques to optimize plasma exhaust in high performance scenarios, innovative lithium-based solutions are being developed to handle the very high heat flux levels that the increased heating power and compact geometry of NSTX-U will produce, and will be seen in future STs. Predictive capabilities accounting for plasma phenomena, like edge harmonic oscillations, ELMs, and blobs, are being tested and improved. In these ways, NSTX-U researchers are advancing the physics understanding of ST plasmas to maximize the benefit that will be gained from further NSTX-U experiments and to increase confidence in projections to future devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Improving Signal-to-Noise Ratio (SNR) for Readout Signals Using Adaptive Filters on Reconfigurable Controls Hardware

This study investigates the optimization of Signal-to-Noise Ratio (SNR) in superconducting quantum computing readout signals through adaptive filtering. Quantum computing technology has the potential to revolutionize various fields by delivering exponential speedup in solving certain computational problems. However, the technology's practical implementation is hindered by the difficulty of extracting clean, reliable signals during the readout phase, with various sources of noise presenting a significant barrier to clean signals. This noise, often present in readout profiles due to imperfect isolation, degrades the system's overall SNR, thus impeding the ability to extract the quantum state accurately. The research leverages the power of adaptive filtering to improve the SNR of quantum computing readout signals. Specifically, an adaptive filter is implemented in a PYNQ overlay on an FPGA, and eventually will be connected to a quantum computing system. The system models the noise with a Least Mean Squares (LMS) adaptive filter, and then subtracts the estimated noise from the received signal to improve the SNR. A Direct Memory Access (DMA) channel is used to handle the signal processing, delivering efficient, high-speed data transfer between the PYNQ system and the hardware. The study explores the benefits of this adaptive filtering technique, potentially providing a significant contribution to practical and fast quantum computing.

Johnson, Hans↗
DOE OSTI2019

Experimental Study of Residual Stresses in Hybrid Laser Arc and Submerged Arc-Welded 10-mm-Thick Low-Carbon Steel Plates

Offshore structures are constantly exposed to a multihazard marine environment that threatens their structural integrity. This imposes a high risk for extensive structural failures while various deterioration mechanisms may degrade the available capacity of the structures. Thus, no reliable decisions can be reached regarding design, operation, and survivability of the structures unless a deep comprehension of their fatigue performance is available, including welding-induced residual stresses. In particular, the continuous increase in size of the weldments for the offshore wind industry needs special attention with regard to welding-induced residual stresses, as they can reduce fatigue life, promote distortion, and contribute to stress corrosion cracking. Thus, the current design methods and increased structural dimensions as well as new design and manufacturing methods need to be inspected, understood, and optimized. Related to this, there is a growing need for evaluation of the effect of welding methods with various heat input density distributions. This article deals with the influence of welding method on the welding-induced residual stresses in 10-mm-thick low-carbon structural steel plates. The residual stresses are investigated in hybrid laser-arc welded and submerged arc butt-welded steel plates by means of experimental temperature profile measurements and neutron diffraction measurements and in accordance with existing production procedures. The residual stresses were measured at three different depths in the plates. The goal of the analysis is to gain a comprehensive understanding of the distribution and development of residual stresses in relation to the welding method for better control of the residual stresses and distortion. Furthermore, the repeatability of the neutron diffraction measurements is also investigated and reported in this article.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improving Signal-to-Noise Ratio (SNR) for Readout Signals Using Adaptive Filters on Reconfigurable Controls Hardware

This study investigates the optimization of Signal-to-Noise Ratio (SNR) in superconducting quantum computing readout signals through adaptive filtering. Quantum computing technology has the potential to revolutionize various fields by delivering exponential speedup in solving certain computational problems. However, the technology's practical implementation is hindered by the difficulty of extracting clean, reliable signals during the readout phase, with various sources of noise presenting a significant barrier to clean signals. This noise, often present in readout profiles due to imperfect isolation, degrades the system's overall SNR, thus impeding the ability to extract the quantum state accurately. The research leverages the power of adaptive filtering to improve the SNR of quantum computing readout signals. Specifically, an adaptive filter is implemented in a PYNQ overlay on an FPGA, and eventually will be connected to a quantum computing system. The system models the n oise with a Least Mean Squares (LMS) adaptive filter, and then subtracts the estimated noise from the received signal to improve the SNR. A Direct Memory Access (DMA) channel is used to handle the signal processing, delivering efficient, high-speed data transfer between the PYNQ system and the hardware. The study explores the benefits of this adaptive filtering technique, potentially providing a significant contribution to practical and fast quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

HDSense: An efficient method for ranking observable sensitivity

Identifying which observables most effectively constrain model parameters can be computationally prohibitive when considering full likelihoods of many correlated observables. This is especially important for, e.g., hadronization models, where high precision is required to interpret the results of collider experiments. We introduce the High-Dimensional Sensitivity (HDSense) score, a computationally efficient metric for ranking observable sets using only one-dimensional histograms. Derived by profiling over unknown correlations in the Fisher information framework, the score balances total information content against redundancy between observables. We apply HDSense to rank a set observables in terms of their constraining power with respect to five parameters of the Lund string model of hadronization implemented in Pythia using simulated leptonic collider events at the $Z$ pole. Validation against machine-learning--based full-likelihood approximations demonstrates that HDSense successfully identifies near-optimal observable subsets. The framework naturally handles data from multiple experiments with different acceptances and incorporates detector effects. While demonstrated on hadronization models, the methodology applies broadly to generic parameter estimation problems where correlations are unknown or difficult to model.

Assi, Benoît [Cincinnati U.] (ORCID:00000003092433↗
DOE OSTI2015

Research on long pulse ECRH system of EAST in support of ITER

Experimental Advanced Superconducting Tokamak (EAST), as a fully superconducting tokamak in China, aims to achieve high performance plasma under steady-state operation. To fulfill the physical objectives of EAST, a program of 4-MW long pulse electron cyclotron resonance heating and current drive (EC H&CD) system, which would offer greater flexibility for plasma shape and plasma stabilization has been launched on EAST since 2011. The system, composed of 4 gyrotrons with nominal 1MW output power and 1000s pulse length each, is designed with the feature of steerable power handling capabilities at 140 GHz, using second harmonic of the extraordinary mode(X2). The missions of the ECRH system are to provide plasma heating, current drive, plasma profile tailoring and control of magneto-hydrodynamic (MHD) instabilities. Presently, the first two 140-GHz 1-MW gyrotrons, provided by GYCOM and CPI, respectively, have been tested at long pulse operation. The tubes, the associated power supplies, cooling system, cryogenic plant, 2 transmission lines and an equatorial launcher are now installed at EAST. The power generated from each tube will be transmitted by an evacuated corrugated waveguide transmission line and injected into plasma from the low field side (radial port) through a front steering equatorial launcher. Considering the diverse applications of the EC system, the beam’s launch angles can be continuously varied with the optimized scanning range of over 30° in poloidal direction and ±25° in toroidal, as well as the polarization could be adjusted during the discharge by the orientations of a pair of polarizers in the transmission line to maintain the highest absorption for different operational scenarios. The commissioning of the first 2MW ECRH plant for EAST is under way. The design, R&D activities and recent progress of the long pulse 140-GHz ECRH system are presented in this paper. As the technological requirements for EAST ECRH have many similarities with ITER devices, the installation and experience of EAST ECRH system may provide valuable data for the ITER.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Multidimensional simulations of Mckenna-driven flow tube configuration: Investigating non-ideality in NO x formation flow tube experiments

Multidimensional simulations have been conducted to simulate atmospheric pressure, flat-flame/McKenna-burner-driven-flow tube experiments targeted to obtain NO x speciation data for predicting/analyzing syngas combustion emissions. In a prior work, we demonstrated the impacts of multidimensional transport on post flame region prediction departures from those assuming unidimensional flow/transport conditions. In this work, we develop and utilize a multidimensional laminar reacting flow solver to simulate the fully coupled flame and post flame regions to further elucidate the impacts of the earlier unidimensional modeling assumptions on interpreting post flame NO x experimental data. The model is used to simulate a lean, premixed syngas/air flame and its associated post flame regions within a cylindrical flow-tube-like arrangement. The combustion process takes place under atmospheric condition with trace amount of NO x seeding fed into the inlet gas stream. The spatial evolution of NO x species (NO and NO 2 ) in the flame and in the post-combustion zone suggests two distinct regions: 1) a region encompassing the flame structure itself; and 2) a post flame region in which the temperature decays due to both axial and radial transport processes. The predictions show that for the conditions studied, a pulsatile flow field exists due to the formation of an expanding and contracting recirculation zone in the outer periphery of the flow tube. By resolving the nature of the flow, the resulting time-averaged temperature and species concentrations show improved agreement with existing experimental measurements. The flow-field interaction results in radial inhomogeneities in the NO 2 profiles with the maximum concentration offset from the flow centerline. The location of the peak in NO 2 is coupled with radial temperature gradients from wall cooling effects and their significant influence on NO/NO 2 interconversion kinetics, producing notable NO 2 accumulation in regions near the wall. Geometrical configurations capable of suppressing/minimizing the pulsatile nature are also investigated and the results are compared. Other experimental configurations could be considered in parametric simulations to determine the optimal configuration that would minimize non-idealities in the observations. The work shows the value in performing such computations in advance of settling on a particular design for flow tube/flow reactor experiments.

42 ENGINEERING↗
DOE OSTI2020

Accelerated version of NUBEAM capabilities in DIII-D using neural networks

A neural network model of the effects of neutral beam injection on DIII-D has been developed. The training and testing data used by the model have been generated by the NUBEAM module of TRANSP for experimental discharges from the 2018 DIII-D campaign. Using a principle component analysis to reduce the dimensionality of profile data, the model has been shown to reproduce the results of the Monte Carlo code NUBEAM with a high level of accuracy and an execution time orders of magnitude faster than the execution time of NUBEAM. Furthermore, this makes the neural network model uniquely suited to applications in model-based scenario planning (off-line) and active control (on-line), where a large number of simulation runs are required by the associated optimization tasks that need to be performed before and during the discharge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Leveraging Calibration Transfer Techniques for Remote Monitoring of Samarium and Europium in LiCl Using Laser-Induced Florescence Spectroscopy for Radioisotope Production Applications

Radioisotope production relies on complex chemical processes that must be performed in radiological hot cells or glove boxes because of the radioactive and otherwise hazardous materials being used. In these situations, optical sensors can provide real-time monitoring to users, which is unobtainable by more traditional methods. This study explores the use of calibration transfer methods to train a model on one instrument and date and then transfer it to another instrument of the same or different configuration on a different date. By performing laser-induced fluorescence measurements of Eu(III) and Sm(III) in 10 M LiCl over the course of 6 months using two disparate spectrometers and two different training sets, a strategy for calibrating and deploying models for online monitoring was established. Three transfer techniques were compared: direct standardization (DS), piecewise direct standardization (PDS), and external parameter orthogonalization (EPO). DS and PDS outperformed EPO for day-to-day transfers, and EPO was not effective for instrument-to-instrument transfers. Transferring the initial date’s full factorial model provided better prediction performance compared with retraining models the day of measurements using a D-optimal designed calibration set. For both day-to-day and instrument-to-instrument transfers, five Kennard–Stone selected samples were sufficient. Based on this choice, the initial-date, high-resolution spectrometer model was transferred to a lower-resolution, compact spectrometer 6 months later to monitor a simulated, real-time demonstration. Here, the combined predictions of the DS and PDS transferred models were able to accurately track the anticipated concentration profiles, maintaining root-mean-square error of prediction values below 10 ppm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

ELM–Wet: Inclusion of a Wet–Landunit With Sub–Grid Representation of Eco–Hydrological Patches and Hydrological Forcing Improves Methane Emission Estimations in the E3SM Land Model (ELM)

Wetlands are the largest emitters of biogenic methane (CH 4 ) and represent the highest source of uncertainty in global CH 4 budgets. Here, we aim to improve the realism of wetland representation in the U.S. Department of Energy's Exascale Earth System Model land surface model, ELM, thereby reducing uncertainty of CH 4 flux predictions. We develop an updated version, ELM-Wet, where we activate a separate landunit for wetlands that handles multiple wetland-specific eco-hydrological patch functional types. We introduce more realistic hydrological forcing through prescribing site-level constraints on surface water elevation, which allows resolving different sustained inundation depth for different patches, and if data exists, prescribing inundation depth. We modified the calculation of aerenchyma transport diffusivity based on observed conductance per leaf area for different vegetation types. We use Bayesian Optimization to parameterize CO 2 and CH 4 fluxes in the developed wet-landunit. Site-level simulations of a coastal non-tidal freshwater wetland in Louisiana were performed with the updated model. Eddy covariance observations of CO 2 and CH 4 fluxes from 2012 to 2013 were used to train the model and data from 2021 were used for validation. Patch-specific chamber flux observations and observations of CH 4 concentration profiles in the soil porewater from 2021 were used for evaluation of the model performance. Our results show that ELM-Wet reduces the model's CH 4 emission root mean squared error by up to 33% and is able to represent inter-daily CO 2 and CH 4 flux variability across the wetland's eco-hydrological patches, including during periods of extreme dry or wet conditions.

54 ENVIRONMENTAL SCIENCES↗