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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 631 records · Page 35

Enhancing the cooling performance of thermocouples: a power-constrained topology optimization procedure

Abstract Heat pumping through thermoelectric devices has many advantages over traditional cooling. However, their current efficiency is a limiting factor in their implementation. In this paper, we approach the non-convex topology optimization of thermoelectrical elements for cooling applications through the method of moving asymptotes (MMA) to improve their cooling capabilities per watt usage. The optimization problem is defined for a given power budget, aiming for the minimum temperature with a known heat pumping need. The introduction of power as a constraint justifies the introduction of the voltage gradient across the thermocouple as a design variable to maintain the thermoelectrical device in its optimum power-to-heat extraction ratio. To better understand the convergence of this non-convex problem, we present a two-variable analytical thermoelectric optimization model. This example provides information on how to select the penalty parameters used to scale the three material coefficients involved in the problem to obtain lower objective values and better convergence using MMA. The analytical model shows the non-convexity of the problem and provides the recommendation to use penalization coefficients of the form $$p_k=p_{\sigma }>p_{\alpha }=1$$ p k = p σ > p α = 1 for the thermal conductivity, electrical conductivity, and Seebeck coefficients. We tested these penalization coefficients through optimizations of a model based on the 1MC10-031 commercial thermoelectric-cooler (TEC) using the finite element method (FEM). These penalization coefficients provided local minima without the need for volume constraints. With this procedure, we found designs that provided temperatures close to 10 degrees lower using 60% less semiconductor material volume compared to the initial design.

Gutiérrez, G. Reales↗

Modeling of ATR Fuel in DOE Standard Canisters with Helium Backfill

One pathway for road-ready and final disposition packaging configurations for the aluminum-clad spent nuclear fuel (ANSF) fuel is storage within helium backfilled sealed Department of Energy (DOE) standard canisters. The typical packaging configuration for the 15-foot DOE standard canisters places 10 advance test reactor (ATR) elements a basket, and three baskets are loaded within each DOE canister. During in-reactor operations and cooling pond storage conditions, oxyhydroxide layers form on the surface of the aluminum clad fuel. These layers produce hydrogen gas over time due to the fuel’s radiation field. As part of the packing procedure, the ATR fuel should be dried to remove any residual physio-/chemi- sorbed water bound to the surface. A 50-year CFD model of the DOE canister packaged with fuel was developed to provide a temperature profile for coupled chemical modeling of the conditions within the canister. The results of this modeling include results at fully saturated and fully dried fuel cladding conditions. In the associated experimental work, radiolysis experiments tests were completed in a helium environment, and G-values for the radiolytic production of hydrogen from the oxyhydroxide layers were provided. That reaction was coupled with the thermal profiles and gas-phase reactions to develop a 50-year model of the conditions within a sealed DOE canister with ATR fuel. For a nominal scenario of stored ATR fuel, after 50 years the model results give a 1.36 atm total pressure, 7% mole percent hydrogen, for the upper decay heat, 1.51 atm total pressure, 16% mole percent hydrogen, and for upper decay heat with undried fuel 2.6 atm total pressure, 15% mole percent hydrogen. No case modeled yields significant oxygen, and for the lower decay heat case that is modeled, hydrogen concentrations are under the 4% flammability limit after 50 years of storage. The modeled pressures for all cases modeled are below the pressure limit for the DOE standard sealed canister.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recovery of DNA from fired and unfired cartridge casings: comparison of two DNA collection methods

For over 10 years, various studies have attempted to increase the recovery of DNA from ammunition by modifying the DNA collection, extraction, purification, and amplification procedures, with varying levels of success. This study focused on the “soaking” method of Montpetit & O’Donnell [1] and the “rinse-and-swab" method of Bille et al. [2]. First, testing for the presence of exogenous DNA, 210 boxed cartridges (brass, steel, and nickel-plated) from nine manufacturers were swabbed and DNA was extracted, concentrated, and quantified. Extracts that quantified > 0 ng/µL (44 of 210) were amplified and genotyped with GlobalFiler™. Of those, only one extract yielded two alleles indicating that the manufacturing and packaging of ammunition was virtually DNA free. Next, to obtain a baseline comparison of two DNA collection methods on a non-metallic substrate and identify a suitable number of cells to spot on cartridges, different DNA input amounts of primary human adult epidermal keratinocytes (HEKa) were tested. Thereafter, 300 brass and 300 nickel-plated, cartridges were spotted with HEKa cells containing ~5 ng of DNA, fired or unfired, and processed with either method. Finally, five methods representing hybrids of the soaking and rinse-and-swab methods were tested to determine if variations of those methods could be used to increase DNA yield and recovery. The results show that the soaking method consistently yielded more DNA than the rinse-and-swab method from a non-metallic substrate. However, the comparison study demonstrated that both methods performed comparably for cartridges. On average, the soaking method recovered 0.25 ng of DNA (5.1% recovery) and the rinse-and-swab method recovered 0.28 ng (5.8% recovery). However, average recoveries were significantly different among three analysts and considerable variation in yields were observed, possibly due to storage time. Furthermore, consistent with prior reports, the DNA recovered from brass casings was only 16% of that recovered from nickel-plated casings and the average yield of DNA from fired casings was reduced to 67% of unfired casings. Moreover, DNA extracts from brass or nickel-plated casings did not appear to contain amplification inhibitors and only 30/596 appeared severely degraded. Finally, both the published rinse-and-swab and soaking methods yielded more DNA than all modifications of the two methods. Overall, both methods yielded equivalent DNA quantities. Additionally, recovery of DNA from any given cartridge casing may be dependent on storage time as well as the skill, proficiency, and experience of the analyst and may reflect stochastic effects, particularly for casings containing low copy and/or degraded DNA.

59 BASIC BIOLOGICAL SCIENCES↗

CODEX: Role of velocity substructure in the scaling relations of galaxy clusters

The use of galaxy clusters as cosmological probes relies on a detailed understanding of their properties. They define cluster selection and ranking linked to a cosmologically significant cluster mass function. Previous studies have employed small samples of clusters, concentrating on achieving the first calibrations of cluster properties with mass, while the diversity of cluster properties has been revealed via detailed studies. The large spectroscopic follow-up on the CODEX cluster sample with SDSS and NOT enables a detailed study of hundreds of clusters, lifting the limitations of previous samples. We aim to update the spectroscopic cluster identification of CODEX by running the spectroscopic group finder on the follow-up spectroscopy results and connecting the dynamical state of clusters to their scaling relations. We implemented a reproducible spectroscopic membership determination and cleaning procedures, based on the redMaPPer membership, running the spectroscopic group finder on the follow-up spectroscopy results and cleaning the membership for spectroscopic outliers. We applied the Anderson-Darling test for velocity substructure and analysed its influence on the scaling relations. We also tested the effect of the X-ray-to-optical centre offset on the scaling relations. We report on the scaling relations between richness, X-ray luminosity, and velocity dispersion for a complete sample of clusters with at least 15 members. Clusters with velocity substructure exhibit enhanced velocity dispersion for a given richness and are characterized by 2.5 times larger scatter. Clusters that have a strong offset in X-ray-to-optical centres have comparable scaling relations as clusters with substructure. We demonstrate that there is a consistency in the parameters of the scaling relations for the low- and high-richness galaxy clusters. Splitting the clusters by redshift, we note a decrease in scatter with redshift in all scaling relations. We localize the redshift range where a high scatter is observed to z < 0.15, which is in agreement with the literature results on the scatter. We note that the increase in scatter for both high- and low-luminosity clusters is z < 0.15, suggesting that both cooling and the resulting active galactic nucleus feedback are at the root of this scatter.

79 ASTRONOMY AND ASTROPHYSICS↗

(2 + δ)-dimensional theory of the electromechanics of lipid membranes: Electrostatics

The coupling of electric fields to the mechanics of lipid membranes gives rise to intriguing electromechanical behavior, as, for example, evidenced by the deformation of lipid vesicles in external electric fields. Electromechanical effects are relevant for many biological processes, such as the propagation of action potentials in axons and the activation of mechanically gated ion channels. Currently, a theoretical framework describing the electromechanical behavior of arbitrarily curved and deforming lipid membranes does not exist. Purely mechanical models commonly treat lipid membranes as two-dimensional surfaces, ignoring their finite thickness. While holding analytical and numerical merit, this approach cannot describe the coupling of lipid membranes to electric fields and is thus unsuitable for electromechanical models. In a sequence of articles, we derive an effective surface theory of the electromechanics of lipid membranes, called the (2 + δ)-dimensional theory, which has the advantages of surface descriptions while accounting for finite thickness effects. The present article proposes a generic dimension reduction procedure relying on low-order spectral expansions. This procedure is applied to the electrostatics of lipid membranes to obtain the (2 + δ)-dimensional theory that captures potential differences across and electric fields within lipid membranes. Finally, this model is tested on different geometries relevant for lipid membranes, showing good agreement with the corresponding three-dimensional electrostatics theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Validating Synthetic Galaxy Catalogs for Dark Energy Science in the LSST Era

Large simulation efforts are required to provide synthetic galaxy catalogs for ongoing and upcoming cosmology surveys. These extragalactic catalogs are being used for many diverse purposes covering a wide range of scientific topics. In order to be useful, they must offer realistically complex information about the galaxies they contain. Hence, it is critical to implement a rigorous validation procedure that ensures that the simulated galaxy properties faithfully capture observations and delivers an assessment of the level of realism attained by the catalog. We present here a suite of validation tests that have been developed by the Rubin Observatory Legacy Survey of Space and Time (LSST) Dark Energy Science Collaboration (DESC). We discuss how the inclusion of each test is driven by the scientific targets for static ground-based dark energy science and by the availability of suitable validation data. The validation criteria that are used to assess the performance of a catalog are flexible and depend on the science goals. We illustrate the utility of this suite by showing examples for the validation of cosmoDC2, the extragalactic catalog recently released for the LSST DESC second Data Challenge.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Multiphysics Coupling of PROTEUS-NODAL and SAM for Molten Salt Reactor Simulation

The purpose of this report is to document the new features and capabilities that have been implemented in the PROTEUS-NODAL code and the coupling procedure of PROTEUS-NODAL with SAM to analyze MSRs. This report is organized as follows. Section 2 presents the variational nodal P 1 solver for cylindrical geometries and its verification test results. Section 3 discusses the transient analysis capability implemented in the P 1 solvers of PROTEUS-NODAL. The solution methods for the coupled system of TFSP and precursor drift equations, the coarse mesh finite difference (CMFD) acceleration, the kinetics parameter evaluation method, and the thermal feedback are discussed. The verification test results against the SP 3 solutions are also discussed. Section 4 describes the coupling scheme of PROTEUS-NODAL and SAM under the MOOSE framework for MSR applications. The developed MOOSE applications named “TreeFrog” and “TreeKangaroo” are discussed. Verification test results for the coupled system are also discussed by comparing the MSFR steady state solution with that obtained from a manually coupled PROTEUS-NODAL and ANSYS CFX computational fluid dynamics (CFD) calculations and the MSFR transient analysis results with the open literature solutions and the PROTEUS-NODAL solutions obtained with the standalone thermal-hydraulics solver. Section 5 provides conclusions and future works.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Estimation of High-Altitude Electromagnetic Pulse Signal Leakage into Power Generation Facilities: Simulations and Measurements

The coupling of early-time high-altitude electromagnetic pulse signals into a power generation facility was investigated. This study encompasses both electromagnetic simulation and on-site experimental efforts that are relevant to shielding effectiveness estimation with a passive technique. As an initial step in understanding the attenuation models involved, simulations were carried out as a function of frequency, building properties, and signal incidence angle. Testing was then performed at the US Department of Energy’s Oak Ridge National Laboratory campus to identify the equipment needed for signal collection and to fine-tune the experimental procedure. Finally, as an application of the models and methods presented, measurements were conducted at a power generation plant to derive the field transfer functions and coupled high-altitude electromagnetic pulse waveforms for various locations within the facility.

42 ENGINEERING↗

On the Rapid Calculation of Binding Affinities for Antigen and Antibody Design and Affinity Maturation Simulations

The accurate and efficient calculation of protein-protein binding affinities is an essential component in antibody and antigen design and optimization, and in computer modeling of antibody affinity maturation. Such calculations remain challenging despite advances in computer hardware and algorithms, primarily because proteins are flexible molecules, and thus, require explicit or implicit incorporation of multiple conformational states into the computational procedure. The astronomical size of the amino acid sequence space further compounds the challenge by requiring predictions to be computed within a short time so that many sequence variants can be tested. In this study, we compare three classes of methods for antibody/antigen (Ab/Ag) binding affinity calculations: (i) a method that relies on the physical separation of the Ab/Ag complex in equilibrium molecular dynamics (MD) simulations, (ii) a collection of 18 scoring functions that act on an ensemble of structures created using homology modeling software, and (iii) methods based on the molecular mechanics-generalized Born surface area (MM-GBSA) energy decomposition, in which the individual contributions of the energy terms are scaled to optimize agreement with the experiment. When applied to a set of 49 antibody mutations in two Ab/HIV gp120 complexes, all of the methods are found to have modest accuracy, with the highest Pearson correlations reaching about 0.6. In particular, the most computationally intensive method, i.e., MD simulation, did not outperform several scoring functions. The optimized energy decomposition methods provided marginally higher accuracy, but at the expense of requiring experimental data for parametrization. Within each method class, we examined the effect of the number of independent computational replicates, i.e., modeled structures or reinitialized MD simulations, on the prediction accuracy. We suggest using about ten modeled structures for scoring methods, and about five simulation replicates for MD simulations as a rule of thumb for obtaining reasonable convergence. We anticipate that our study will be a useful resource for practitioners working to incorporate binding affinity calculations within their protein design and optimization process.

59 BASIC BIOLOGICAL SCIENCES↗

Fabrication and installation of the Mu2e cryogenic distribution system

The muon-to-electron conversion (Mu2e) experiment at Fermilab will be used to search for the charged lepton flavor-violating conversion of muons to electrons in the field of an atomic nucleus. The Mu2e experiment is currently in the construction stage. The scope of this paper is the cryogenic distribution system and superconducting power leads for four superconducting solenoid magnets: Production Solenoid (PS), an Upstream and Downstream Transport Solenoids (TSu and TSd) and Detector Solenoid (DS). The design of the cryogenic distribution system and the fabrication of several sub-systems was reported previously. This paper reports on additional fabrication and installation progress that has been performed over the past two years. Lessons learned during fabrication and testing of the cryogenic distribution system components are described. In particular, the challenges and solutions implemented for aluminum welding are reported. A description of the process used to qualify the welding procedure and welders for welding the aluminium stabilized NbTi superconducting power leads is provided. Additionally, the progress made with regards to installing the power leads into the cryogenic Feedboxes is covered.

White, Michael J.↗

Concrete Thermal Energy Storage Enabling Flexible Operation without Coal Plant Cycling

The work described in this report is responsive to the Office of Fossil Energy program “Energy Storage for Fossil Power Generation.” The pilot plant built as a result of this project demonstrated the feasibility and performance of a concrete thermal energy storage (CTES) system integrated with a supercritical coal power plant. The 10 MWh electrical (>25 MWh thermal) CTES unit, developed by Storworks Power, was designed to enable flexible operation of coal plants without cycling damage. The project's key technical achievements showcase a significant advancement in energy storage technology. A modular CTES system using 42 “Bolderblocs” units was successfully designed and constructed at Alabama Power’s Plant Gaston Unit 5, with each block containing embedded stainless-steel coils in specialized, cost-effective high-temperature concrete. The system interfaced seamlessly with the plant's 3500 psig (241 barg), 1000°F (538°C) supercritical steam, demonstrating operational flexibility. Over 86 full cycles, the CTES exhibited rapid charging and discharging capabilities, effectively mimicking steam turbine feed conditions and handling varying load profiles and storage durations. Performance validation confirmed the system's ability to consistently meet design target steam conditions of 75 bar-a and ~400°C for nominal baseline discharge. The concrete material withstood repeated thermal cycling without degradation, validating earlier lab-scale tests. Integration of balance of plant components, including a condensate management system with storage tank and air-cooled condenser, minimized plant interfaces and water consumption. A robust control scheme ensured safe, automated operation across various scenarios. Key learnings from the project were invaluable: 1. Initial concrete drying and commissioning procedures were refined for future deployments, enhancing efficiency in subsequent installations. 2. System flexibility exceeded expectations, with rapid response to changing conditions. 3. Design improvements were identified including optimized insulation and piping that will enhance overall system efficiency in future deployments 4. Full cycle thermal roundtrip efficiencies exceeded 88%. While the roundtrip electrical efficiency was somewhat limited by known challenges using input steam, such constraints may be mitigated by swapping steam for hot air as thermal input. 5. A summary of key performance parameters for the pilot test and predicted performance of a full scale commercial system with specified improvements determined from the pilot are shown in Section 8. The project faced challenges, including COVID-19 delays and host plant availability constraints. However, these were overcome through adaptive planning and execution. The successful management of these obstacles demonstrated the resilience and adaptability of the project team and the robustness of the CTES technology. This successful pilot demonstrates the potential for CTES to enhance coal plant flexibility, supporting grid stability as renewable penetration increases. The validated design and operational data provide a solid foundation for scaling up to utility-scale implementations, potentially transforming how thermal plants operate in evolving energy landscapes. The system's ability to rapidly respond to changing grid conditions while maintaining high efficiency makes it a promising solution for balancing intermittent renewable energy sources. Furthermore, the project highlighted the potential for even greater efficiencies in future iterations. The use of air as an input medium could potentially eliminate the limitations observed with steam input, opening new possibilities for energy storage applications beyond coal plant integration. In conclusion, this pilot project not only achieved its primary goals but also uncovered additional benefits and potential applications of the CTES technology. It represents a significant step forward in addressing the challenges of grid stability and flexibility in an increasingly renewable-driven energy landscape.

01 COAL, LIGNITE, AND PEAT↗

Experimental studies on the effects of sheet resistance and wettability of catalyst layer on electro-catalytic activities for oxygen evolution reaction in proton exchange membrane electrolysis cells

As the most important part of electrochemical reaction in proton exchange membrane electrolysis cells (PEMECs) for water splitting, oxygen evolution reaction (OER) occurs at the anode catalyst layer (CL). The distribution of the OER site is affected by many factors, such as properties of CL, operation parameters, procedures, etc. To study the effects of properties of CLs on the distribution of OER site on the CL, and consequently affect the performance of PEMECs, CLs with different sheet resistances are tested under different operation conditions. Furthermore, the phenomena of OER on CLs are captured by a high-speed and micro-scale visualization system in-situ and analysed coupled with electrochemical results. The results in this work show that both sheet resistance and wettability of CLs have significant impact on the distribution of the OER site, which can help optimize the design of membrane electrode assembly and improve the operating parameters for electrochemical devices.

08 HYDROGEN↗

Examination of How Well Long-Range-Corrected Density Functionals Satisfy the Ionization Energy Theorem

For this work, we calculated the vertical ionization energies (VIE) of 99 species in two ways to examine the accuracy of several long-range-corrected (LC) hybrid meta functionals in comparison with a gradient approximation (GA), global hybrids, and doubly hybrids. In the category of LC functionals, we examined both those with meta ingredients (i.e., that depend on the kinetic energy density) and those without them. The LC-hybrid meta functionals examined are M11, revM11, M11plus, and ωB97M-V. The reference data used to assess accuracy consist of 95 molecules and 4 atoms in the GW100 set. The two methods studied are the ΔSCF method (involving the difference of neutral and cation self-consistent field (SCF) energies) and the ionization energy theorem (involving the orbital energy of the highest occupied molecular orbital, HOMO). We calculated linear correlation coefficients (r 2 ) and mean absolute deviations (MADs) between each approach and the reference VIE value from the CCSD(T)/def2-TZVPP level of theory. We compared the new LC-hybrid meta calculations to calculations with the 10 functionals in a previous VIE study by Brémond et al. and to the calculations with LC-BLYP (LC-Becke, Lee–Yang–Parr), CAM-B3LYP (Coulomb-attenuating-method Becke-3-parameter Lee–Yang–Parr), LC-ωHPBE, and ωB97X-D. The results show that Minnesota LC-hybrid meta functionals have the smallest mean absolute deviation of ionization energy theorem VIEs with the reference data; the LC-ωHPBE functional also does quite well in this test. This is very encouraging and indicates that LC-hybrid meta functionals would be the best starting points for the tuning strategy that has been shown to be a very good procedure for improving time-dependent density functional calculations, and it also helps explain the good success of LC-hybrid meta functionals for molecular excitation energies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DONKEY: A Flexible and Accurate Algorithm for Clustering

We propose an accurate clustering algorithm suitable for the varied and multidimensional data sets that correspond to temporal snapshots from on-the-fly nonadiabatic trajectory-based simulations of photoexcited dynamics. The algorithm approximates the underlying probability density function using variable kernel density estimation, with local maxima corresponding to cluster centers. Each data point is then assigned to one of the maxima by employing a maximization procedure. Finally, clusters artificially separated by minor fluctuations in the probability density are merged. The algorithm does not require parameter tuning, which ensures flexibility and reduces the risk of bias. It is tested on several synthetic data sets, where it consistently outperforms conventional clustering algorithms. As a final example, the algorithm is applied to the excited dynamics of the norbornadiene ⇌ quadricyclane (C 7 H 8 ) molecular photoswitch, demonstrating how distinct reaction pathways can be identified.

algorithms↗

An Adaptive-Importance-Sampling-Enhanced Bayesian Approach for Topology Estimation in an Unbalanced Power Distribution System

The reliable operation of a power distribution system relies on a good prior knowledge of its topology and its system state. Although crucial, due to the lack of direct monitoring devices on the switch statuses, the topology information is often unavailable or outdated for the distribution system operators for real-time applications. Apart from the limited observability of the power distribution system, other challenges are the nonlinearity of the model, the complicated, unbalanced structure of the distribution system, and the scale of the system. To overcome the above challenges, we, in this paper, propose a Bayesian-inference framework that allows us to simultaneously estimate the topology and the state of a three-phase, unbalanced power distribution system. Specifically, by using the very limited number of measurements available that are associated with the forecast load data, we efficiently recover the full Bayesian posterior distributions of the system topology under both normal and outage operation conditions. This is performed through an adaptive importance sampling procedure that greatly alleviates the computational burden of the traditional Monte-Carlo (MC)-sampling-based approach while maintaining a good estimation accuracy. The simulations conducted on the IEEE 123-bus test system and an unbalanced 1282-bus system reveal the excellent performances of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Differential Scanning Calorimetry Calibration and Heat Capacity

The differential scanning calorimeter (DSC) 404 F3 is a machine that heats up to 1500 degrees Celsius, and collects/evaluates thermal properties such as heat capacity, crystallization, glass transition, and more. The first part of the project is based around calibrating the DSC 404 F3 using the given procedures and manuals. This ensures that the DSC 404 F3 is working properly and does not have any issues moving forward. After the calibration is complete, the second part is to start testing. There will be tests conducted on known metals, such as steel and aluminum, in which there is data to compare it to. If the data collected is not accurate compared to its known values, further troubleshooting will need to ensue to ensure that the following process does not give wrong readings. Then, testing will begin for High Entropy Alloys(HEA) and the interesting issue with these is that there is no data to compare these to. The goal of finding the values of the HEA is to find a compatible alloy that we can use in future projects.

Szczech, Sebastian↗

Comparison of Infiltration Test Methods for Soil Health Assessment

Infiltration rate (IR) has been commonly used as a metric to evaluate soil quality and health. For the USDA Soil Quality Test Kit, a 15-cm (6-in) diameter (ID) cylinder is used to measure IR with 444 cm 3 (equivalent to 2.54 cm or 1 in) of water while other standard IR procedures require substantially larger volumes of water. The general objective of this study was to compare different methods for IR measurement. Using three replications, IR measurements were conducted along a 9-m (27-ft) long transect in two different soil types by the double-ring infiltrometer (DRI) using 25- and 50-cm (10-and 20-in, respectively) cylinders, single-ring infiltrometer (SRI) using 25- and 50-cm cylinders, Cornell sprinkle infiltrometer (CSI) using a 24.1-cm (9.5-in) cylinder, the USDA recommended procedure using a 15-cm diameter cylinder (hereafter referred to as USDA-15 method), and a modified USDA method using a 24.1-cm diameter cylinder. Although the USDA-15 method is simple and requires a small amount of water, based on high variability among replications and significant reduction in IR during early stages of water entry into the soil, the procedure does not offer an accurate estimate of the soil infiltration potential. The CSI procedure was reproducible, but it is more cumbersome to perform than other methods. The DRI, SRI, and CSI methods required a much greater volume of water than the USDA-15 method but produced results that are more consistent. The most consistent results were obtained by the CSI and DRI methods. The modified USDA method results were similar to the SRI method and were an improvement over the original USDA-15 method. For assessing soil health, additional investigations should be conducted to evaluate a modified version of the USDA procedure using a larger cylinder.

54 ENVIRONMENTAL SCIENCES↗

Quantification of Residual Water in Spent Fuel Dry Storage Canisters Using Mass Spectrometry

The purpose of this report is to document updates on the apparatus to simulate commercial vacuum drying procedures at the Nuclear Energy Work Complex at Sandia National Laboratories. Validation of the extent of water removal in a dry spent nuclear fuel storage system based on drying procedures used at nuclear power plants is needed to close existing technical gaps. Operational conditions leading to incomplete drying may have potential impacts on the fuel, cladding, and other components in the system during subsequent storage and disposal, such as fuel degradation; cladding corrosion, embrittlement, or breaching; and the creation of a flammable environment via radiolysis of water. A general lack of data suitable for model validation of commercial nuclear canister drying processes necessitates well-designed investigations of drying process efficacy and water retention. Scaled tests that incorporate relevant physics and well-controlled boundary conditions are essential to provide insight and guidance to the simulation of prototypic systems undergoing drying processes. This report documents details on the quantification of residual water in the Advanced Drying Cycle Simulator (ADCS), an apparatus built to simulate commercial drying procedures and quantify the amount of residual water remaining in a pressurized water reactor (PWR) fuel assembly after drying. The ADCS was constructed with a prototypic 17×17 PWR fuel skeleton and waterproof heater rods to simulate decay heat. The ADCS is outfitted with thermocouples to measure the thermal response of the ADCS to simulated decay heats and internal helium fill pressures relevant to commercial drying procedures. The ADCS is also instrumented with pressure transducers to measure the pressures and vacuum levels observed during simulated commercial drying. The most unique instrumentation used for quantifying residual water in the ADCS is a Hiden Analytical HPR-30 mass spectrometer (MS), which measures gas compositions of the ADCS internal free volume, based on partial pressures calculated from relative proportions of gas molecules detected by the MS. This report details the methodology used to implement MS measurements in quantifying residual water in the ADCS. This methodology includes the calibration of the HPR-30 MS to a Buck Research Instruments CR-4 chilled mirror hygrometer, which itself is calibrated to a NIST-traceable standard. Data collected by both the MS and the chilled mirror hygrometer from water/helium mixtures ranging from 150 to 500,000 ppmv water in helium were used to generate calibration curves, establishing a source of verification of MS measured water contents. Details regarding water content measurement uncertainties are included in this report, defining the accuracy and verifiability of the HPR-30 MS in measuring residual water content in simulated dry storage canister environments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗