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DOE OSTI2026

Planetary Boundary-Layer Height (PBLHT) Value-Added Product: Remote-Sensing Retrievals

The planetary boundary layer (PBL) is fundamental to numerous atmospheric processes, including aerosol mixing and transport, cloud evolution, and precipitation formation. A critical parameter in these studies is the PBL height (PBLHT). This vertical depth is essential for characterizing PBL structures in numerical simulations and serves as a primary metric for estimating flux exchanges between the Earth’s surface and the atmosphere. Radiosonde (SONDE) observations provide high-vertical-resolution measurements of temperature and moisture profiles and are widely used to estimate PBLHT (Liu and Liang 2010, Seidel et al. 2010). The U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s PBLHT value-added product (VAP) for radiosonde measurements, known as PBLHTSONDE, applies three commonly used methods—the Heffter (1980) method, the Liu and Liang (2010) method, and the bulk Richardson number approach (Seibert et al. 2000)—to derive PBLHT. The PBLHTSONDE VAP operates routinely at ARM observatories and mobile facilities, with data available from the ARM Data Center shortly after sounding observations are collected (Sivaraman et al. 2013). However, radiosonde observations are limited by their low temporal resolution. Most stations launch soundings only twice daily, which constrains the ability to investigate and characterize the temporal evolution of the PBL using radiosonde data alone. The use of continuous remote-sensing observations provides high temporal resolution of PBLHT estimates. These observations include aerosol lidars (Dang et al. 2019, Su et al. 2020), Doppler lidar (DL; Tucker et al. 2009, Krishnamurthy et al. 2021), and water vapor and/or temperature lidars and radiometers (Turner et al. 2014). These observations provide valuable data on the PBL’s thermodynamic properties (e.g., water vapor and/or temperature lidars and radiometers), dynamic properties (e.g., DL), and distribution of tracer substances (e.g., aerosol lidars), all of which can be used to estimate PBLHT. ARM developed PBLHT estimates from the micropulse lidar (MPL; PBLHTMPL), Doppler lidar (PBLHTDL), and combined Raman lidar (RL)/atmospheric emitted radiance interferometer (AERI) thermodynamic profiles (PBLHTTHERMO). Each estimate captures different physical characteristics of the boundary layer—aerosol tracers, vertical velocity turbulence, and thermodynamic structure—and exhibits distinct strengths and limitations depending on the PBL regime and time of day. In addition, the ARM ceilometer (CEIL) provides three potential PBLHT candidates derived from the vendor's built-in algorithm. Building on these individual retrievals, ARM developed the PBLHTBEML VAP, which combines the four remote-sensing-based estimates with ancillary meteorological variables using the machine learning approach of Zhang et al. (2025) to produce a best-estimate PBLHT at 10-minute resolution.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Reduced Order Model to Predict Dispersion of Flammable Refrigerant into a Space

As the HVAC&R industry mobilizes to deploy more low-GWP refrigerants, relevant standards are being continually reviewed and updated. Those include the general safety standards ISO 5149 and ASHRAE 15, and the equipment standards IEC and UL. The standards systematically set the allowable maximum amount of refrigerant that should be used in different equipment types and different applications. To do so, they rely on predictions of how a leaked refrigerant mass will disperse into a space. Dispersion characteristics, such as total flammable volume and its residence time, determine the risk associated with the presence of the flammable refrigerant. The standards have included provisions for the use of flammable refrigerants for approximately two decades. They relied on limited analytical analyses and test cases in their development. Dispersion of a refrigerant into a space is complex. Computational fluid dynamics (CFD) are the most accurate in predicting a given problem. However, CFD is computationally expensive and requires specialized expertise and resources and is not suitable for use by standards development working group as prediction tool. This paper presents the development of a reduced order model (ROM) that predicts the key dispersion characteristics relevant to the dispersion of a leaked refrigerant into a space for any combination of input variables. The inputs are the refrigerant release height, the total released refrigerant mass and its release flow rate, the refrigerant molecular weight, the ventilation flow rate, the floor area and height of the space, recirculation air flow rate, and the tightness of the space. The outputs are histograms of volume fraction of the room in prescribed concentration bins and the total mass of the refrigerant in each bin normalized by the total refrigerant charge at 13 prescribed simulation time stamps between 1 and 900 seconds. The ROM is constructed from a set of CFD simulations with carefully chosen combinations of input parameters. The selection if done using a multidimensional sparse grid which is a generalization of the classical tensor approach but offers additional flexibility and thus can be more carefully tuned towards a specific model. The tuning is done to improve the accuracy, measured in the difference between the output values of the ROM and the CFD model, while minimizing the computational cost, measured in number of CFD simulations which is orders of magnitude more expensive than the processing the training data.

Edwards, Dean↗

DOE OSTI2020

Investigation into Reductive Separation of Tc-99 from Low Activity Waste Off-Gas Condensate by Zero Valent Iron Materials - 20311

This study is investigating the potential for reductive separation of technetium-99 (Tc) from off-gas condensate generated from vitrification of legacy tank waste at the Hanford Tank Waste Treatment and Immobilization Plant. Management of Tc is a high-priority activity for the U.S. Department of Energy (DOE) Office of Environmental Management (EM) complex, which must be addressed based on knowledge gaps and technology development needs outlined in the DOE-EM Technetium Management Program Plan [1]. Technetium is one of the main risk drivers in the permanent disposal of low activity waste (LAW) by vitrification at the Hanford Site due to its high volatility and only fractional incorporation into borosilicate glass. Volatilized Tc will be captured by an off-gas treatment system, and the current plan is to continuously recycle generated condensate back to the LAW glass melter feed. Off-gas recycling is effective at increasing Tc loading in the LAW glass, but it also disproportionately increases concentrations of sulfate, halides, and other volatile compounds impeding overall LAW processing leading to significantly greater waste glass volume requirements. Removal of Tc from secondary liquid waste offers an alternative disposal route to continuous off-gas recycling which may result in significant reduction of the volumes of LAW waste glass and substantial cost savings. The objective of this research funded by the DOE-EM Minority Serving Institutions Partnership Program (MSIPP) is to determine the suitability of zero valent iron (ZVI) as a separation technology to remove Tc from the off-gas condensate stream to minimize its recycle. While ZVI has been proposed for various remediation applications with Tc, it has not been studied for its suitability for removing Tc from the LAW off-gas condensate. The goal is to identify the optimal conditions for which Tc{sup (VII)} will be reduced to Tc{sup (IV)} species and incorporated into an iron matrix. This paper presents a programmatic overview of our evaluation of commercial ZVI materials for their efficiency towards Tc{sup (VII)} reductive removal from simplified off-gas simulant solutions under aerobic conditions. Tc concentrations in solutions were monitored for up to 30 days to determine efficiency and kinetics of reductive removal of Tc. The best performing candidate materials were selected for further experiments evaluating the effects of (1) variable ionic strength, (2) the presence of chromium and corrosive anions, and (3) ZVI aging on Tc{sup (VII)} reductive removal in batch experiments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Optimization of the moderators in the STS preliminary design

This report details the results for an optimization of the dimensions of the moderators in the preliminary design of the Spallation Neutron Source Second Target Station (STS). This study uses the optimization algorithms of Dakota and an unstructured mesh model for the moderators in MCNP. More details on the unstructured mesh model and the automated mesh generation can be found in [3]. Parallel to this effort, the same moderator geometries have been optimized using a constructive solid geometry (CSG) MCNP model. More details on this model and its results can be found in [4]. Three optimal designs are selected for each moderator: one that is optimized for maximum peak brightness, one for maximum time-integrated brightness, and one for a combination of peak and time-integrated brightness. The backbone of the optimization work flow is provided by Dakota. For each set of design parameters requested by Dakota, a new solid geometry is automatically built in Creo and SpaceClaim, and subsequently exported to Attila4MC to generate an unstructured mesh geometry for MCNP. After the MCNP calculation is finished, the objective function (e.g., brightness metric) is returned to Dakota. After the new design has been evaluated, a result-file is written, and Dakota proposes the next set of design parameters to be evaluated. The loop continues until a specified convergence criterion has been met. The design parameters of the cylindrical (upper) moderator include the hydrogen radius, the premoderator thickness (top, bottom, radial), the beryllium radius and the horizontal position of the moderator. The crucial design choice is the hydrogen radius. A radius of 62 mm is shown to provide the maximum time-integrated brightness. The maximum peak brightness occurs with a radius of 40 mm. A combined (middle) design, which balances peak and time-integrated brightnesses, is obtained with a hydrogen radius of 50 mm. The premoderator thicknesses and the beryllium radius are slightly larger in the design optimized for time-integrated brightness than in the design optimized for peak brightness. The sensitivity to these two parameters is relatively small close to the optimal configurations. The hydrogen vessel and vacuum vessel wall thicknesses are dependent on the radius of the liquid hydrogen due to structural integrity requirements. The increased wall thicknesses for larger vessels significantly penalize the time-integrated brightness, with the maximum obtainable value reduced by more than 10% relative to earlier studies which used fixed vessel wall thicknesses. The impact of the variable wall thicknesses is much less for the peak brightness and combined brightness designs. The design parameters of the tube (lower) moderator selected for the optimization are the tube length, the annular premoderator thickness, the beryllium radius and the horizontal position of the moderator. The tube length is the crucial parameter and is chosen large (210 mm) and small (125 mm) in the designs optimized for time-integrated and peak brightness respectively. A combined optimal design has a tube length of 170 mm. The premoderator thickness and the beryllium radius are chosen larger in the design optimized for time-integrated brightness.

42 ENGINEERING↗

DOE OSTI2021

Climate Drives Modeled Forest Carbon Cycling Resistance and Resilience in the Upper Great Lakes Region, USA

Forests dominate the global terrestrial carbon budget, but their ability to continue doing so in the face of a changing climate is uncertain. A key uncertainty is how forests will respond (resistance) and recover from (resilience) to rising levels of disturbance of varying intensities. This knowledge gap can optimally be addressed by integrating manipulative field experiments with ecophysiological modeling. We used the ED-2.2 model to project carbon fluxes for a northern temperate deciduous forest subjected to a real-world disturbance severity manipulation experiment. ED-2.2 was run for 150 years, starting from near bare ground in 1900, and subjected to three disturbance treatments under an ensemble of climate conditions. Both disturbance severity and climate strongly affected carbon fluxes, and interacted with one another. We then calculated metrics of functional ecosystem stability. Modeled gross primary production exhibited a mean resistance of -0.13, -0.23, and -0.42 (unitless) in response to increasing disturbance severity of 45%, 65%, and 85% mortality, respectively; and resilience of 0.002, 0.004, 0.008 (yr-1) respectively. This pattern held true for other carbon fluxes, meaning that in general simulated GPP declined more initially but recovered more quickly from higher mortality. Notably, however, heterotrophic respiration responded more slowly to disturbance, and its highly variable response was affected by different drivers. This work provides insight into how future conditions might affect the functional stability of mature forests in this region under ongoing climate change and changing disturbance regimes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Vitrification of Hanford Tank 241-AP-107 with Recycled Condensate

During the vitrification of nuclear waste at the Hanford Waste Treatment and Immobilization Plant (WTP) – the primary mission of the U.S. Department of Energy Office of River Protection – the offgas condensate generated from the waste-to-glass conversion is currently planned to be concentrated by evaporation in the Effluent Management Facility (EMF). This concentrated condensate can then be recycled back to the incoming waste and vitrified. To test the recycle process, a test apparatus was designed to mimic the EMF evaporator and used to concentrate a volume of condensate that had been previously produced during the vitrification of Hanford tank 241-AP-107 (referred to herein as AP-107) waste in a continuous laboratory-scale melter (CLSM). The test apparatus successfully concentrated the AP-107 condensate by a factor of 10 while retaining over 90 % of the technetium-99 ( 99 Tc), Cs, and I inventory. A second portion of AP-107 waste was retrieved by Washington River Protection Solutions, LLC, given to Pacific Northwest National Laboratory, and combined with the AP-107 condensate concentrate after undergoing solids filtration and cesium removal by ion exchange. This combination served to approximate the recycling action to be performed at the WTP. After the addition of glass-forming chemicals (GFCs), the combined AP-107 waste and AP-107 condensate concentrate were processed in the CLSM to produce a glass, called AP-107-1R, that was designed to satisfy the WTP baseline requirements (Kim et al. 2012). During the 8.87 hours of processing, 7.27 kg of AP-107-1R glass were produced for an average glass production rate of 1739 kg m 2 d -1 . Compared to the previous run in the CLSM without recycled condensate, the run with the recycle had a greater average glass production rate, but the rate was within the potential range of variability when processing melter feeds with similar composition in the CLSM. The glass produced from the AP-107 recycle run in the CLSM was within 10 % of the target AP-107-1R glass composition with respect to the primary glass components. Analysis of the minor component impurities revealed that their content in the glass product had approached their nominal target after 2 turnovers of the glass inventory in the CLSM while the activity of the minor radionuclides was retained in the glass product. The 99 Tc and total cesium content in the combined AP-107 waste and recycled condensate were maintained at concentrations expected to be experienced at the WTP. During processing in the CLSM, at discrete sampling time periods, the target 99 Tc/Cs mass ratio in the glass formulation varied from 0.9 to 62.9. Across this range, the Cs retention in the glass ranged from 53 to 60 %, while the retention from the entire runtime totaled 68 %, values which align with Cs retention in other scaled melter systems while processing LAW melter feeds at 99 Tc/Cs mass ratios ranging from 1 to 100. The 99 Tc retention in the glass ranged from 22 to 32 %, primarily due to the cold-cap coverage on the glass melt surface, the area covered by reacting melter feed, varying from ~80 % to ~95 % during processing, demonstrating greater volatility of 99 Tc from the glass while more surface was exposed, as expected based on previous 99 Tc volatility studies.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Creating a Simulation Platform for Research and Development of Advanced Control Methods

Advanced nuclear reactors are essential to meet the changing energy requirements throughout both the United States and the rest of world. In addition to other features, they are designed to enable deployment in remote locations and operate in a fully (or near-fully) autonomous manner, which will require a new control paradigm. To realize autonomously operating reactors, the U.S. Department of Energy’s Nuclear Energy Enabling Technologies Advanced Sensors and Instrumentation (NEET ASI) program conducts research and development into the enabling technologies and methods needed, including digital twins, machine learning, and risk modeling, in addition to various types of control methods. These technologies and methods are the key foundations needed to achieve fully autonomous systems. To develop and evaluate the technologies and methods necessary for achieving autonomous operations, it is critical to identify a software tool capable of integrating all the required elements. In surveying the available solutions, no software platforms were identified that could accomplish what was needed without introducing drawbacks. This challenge was the motivation for the current effort: to develop a software platform that can seamlessly integrate autonomouscontrol-enabling technologies and methods, allowing for accelerated research and development and transfer of ideas. The resulting platform, known as the Control and Optimization Modular Modeling Application for Nuclear Deployment (COMMAND), is Python-based, and leverages open-source tools to provide flexibility and facilitate building upon prior research. It is designed to enable advanced reactor developers to deploy and test advanced control technologies and methods coupled with their own models, solutions, and hardware. Given the substantial undertaking of developing such a platform, the current effort focused on laying down scalable, flexible software foundations and infrastructure, then demonstrating the platform via a use case. These foundations included developing generic modules, which contain the base variable and system blocks (the information and functional building blocks, respectively, that can be used to design a simulation) and the data handling and storage blocks needed to exchange information between the various blocks; as well as enablingtechnology-specific modules. This platform was evaluated via a use case, which was to simulate and control a process for the Microreactor Automated Control System (MACS) test bed. While MACS is not currently directly coupled to any specific microreactor physics, it was initially developed in concert with the Microreactor Applications Research Validation and Evaluation (MARVEL) microreactor, and so the MARVEL physics are used here. As part of this use case, several enabling-technology-specific blocks within COMMAND were integrated, including a proportional integral derivative (PID) control block, a Reactor Excursion and Leak Analysis Program (RELAP5-3D) block, and an anomaly detection block. The COMMAND software platform was successfully demonstrated to achieve the scalability and flexibility objectives of this effort and will be leveraged by the program’s research efforts to advance state of the art control methodologies towards autonomous operations of advanced reactors. As new use cases are created and implemented, it is anticipated that COMMAND will continue to grow and evolve to meet new requirements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

A simple introduction to the SiMPL method for density-based topology optimization

We introduce a novel method for solving density-based topology optimization problems: Sigmoidal Mirror descent with a Projected Latent variable (SiMPL). The SiMPL method (pronounced as “the simple method”) optimizes a design using only first-order derivative information of the objective function. The bound constraints on the density field are enforced with the help of the (negative) Fermi–Dirac entropy, which is also used to define a non-symmetric distance function called a Bregman divergence on the set of admissible designs. This Bregman divergence leads to a simple update rule that is further simplified with the help of a so-called latent variable. Because the SiMPL method involves discretizing the latent variable, it produces a sequence of pointwise-feasible iterates, even when high-order finite elements are used in the discretization. Numerical experiments demonstrate that the method outperforms other popular first-order optimization algorithms. In conclusion, to outline the general applicability of the technique, we include examples with (self-load) compliance minimization and compliant mechanism optimization problems.

Calculus of Variations and Optimization↗

DOE OSTI2025

Modeling and Optimization of a Rotating Packed Bed Contactor with a Tetraamine-Appended Metal−Organic Framework for CO 2 Capture

A potential contactor technology for sorbent-based CO 2 capture is the rotating packed bed that contains separate sections for continuous adsorption and desorption. A heat exchanger can be embedded to remove heat in the adsorption section and add heat in the desorption section. In this work, we develop a two-dimensional (2D) model of a rotating packed bed for use in CO 2 capture applications. Mass and energy balances for the model are developed based on a Ljungström-type air preheater, which accounts for the counter-current axial flow of gas phases in separate sections of the bed and the rotation of a solid sorbent, which cycles between adsorption and desorption sections. The sorbent used for this analysis is the tetraamine-appended metal−organic framework Mg 2 (dobpdc)(3−4− 3), chosen for its stability and affinity for CO 2 at low partial pressures, such as those from a natural gas power plant source. An optimization problem is solved that considers the trade-off between maximizing the productivity of the bed and minimizing energy consumption. Maximum productivity and minimum energy are found to be 8.53 kg/h/m 3 and 3.84 MJ/kg, respectively, when these objectives are optimized independently. It is observed that the flue gas pressure and bed rotational speed are the desired operating variables to vary for model-based design of experiments to reduce uncertainty in parameter estimation, as these two variables yielded the most information content based on the Fisher information matrix.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2020

Factors Impacting Nuclear Energy Share in U.S. Energy Markets

The purpose of this report is to collate information and findings from recent studies conducted by national and international bodies/institutes to identify approaches for maintaining/enhancing the role of nuclear energy in the current and future energy mix of the United States. This report shows how nuclear generation grew quickly to provide 20% of U.S. electricity, sustaining that level for three decades without the benefit of new construction, but is now projected to decline going forward. Nuclear construction costs in the U.S. spiraled out of control, ending construction for two decades and the recent resumption of construction has continued the pattern of schedule delays and cost overruns. However, nuclear operations exhibited strong learning, achieving and sustaining the highest capacity factor of any electricity generation technology and license extensions and uprates have sustained nuclear market share. The share of nuclear energy in the U.S. electricity market is projected to decline by ~1/3rd over the next 30 years The report provides an overview of how the markets work in theory and in practice. It indicates how market deregulation and clean energy policies have created conditions where nuclear plants are being retired for economic rather than technical reasons. The report also shows how many of the markets do not in practice have free competition but instead have outcomes that are being determined more and more by policy instead of market forces. While electricity costs from existing nuclear plants are low, electricity from new builds is projected to be too expensive to be competitive head-to-head with natural gas, even for nth-of-a-kind costs. Wind and solar energy have enjoyed an extended period of sustained subsidy. This protected environment has resulted in a sustained reduction in plant level costs to the point that some of these Variable Renewable Energy (VRE) technologies are becoming competitive even if their direct subsidies are removed. But plant level costs underestimate total VRE costs which include a number of system-level externalities. The incremental system value of additional VRE capacity was shown to decline as market share increases, with solar value declining more quickly than wind. The report closes with examination of a possible future for nuclear generation as part of deep decarbonization of the electricity sector. This approach avoids direct competition with natural gas. The two options for achieving 100% decarbonization are to use only renewables or to use all zero emissions technologies, and the report shows the second approach is much less expensive than the first.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2022

Cloud Radiative Effects on MJO Development in DYNAMO

Observed Madden-Julian Oscillation (MJO) events are examined with the aid of regional model simulations to understand the role of cloud radiative effects in the MJO development. The importance of this role is demonstrated by the absence of MJO in the model simulations that contain no cloud radiative effects. Comparisons of model simulations with and without the cloud radiative effects and observation help identify the major processes arising from those effects. Those processes develop essentially from heating in the upper-troposphere due to shortwave absorption within anvil clouds in the upper troposphere and the convergence of longwave radiation in the middle-upper troposphere, with a peak at 300-hPa, during deep convection. First, that heating adds extra buoyancy and accelerates the rising motion in the upper troposphere in deep convection. The vertical acceleration in the upper troposphere creates a vacuum effect and demands for more deep convection to develop. Second, in response to that demand and required by mass balance arises the large-scale horizontal and vertical mass, moisture, and energy convergence. It strengthens deep convection and, with the feedback from continuing cloud radiative effect, creates conditions that can perpetuate deep convection and MJO development. That perpetuation does not occur however because those processes arising from the cloud radiative heating in the upper troposphere stabilize the troposphere till it supports no further deep convection. Weakening deep convection reduces cloud radiative effects. The subsequent reduction of the vacuum effect in the upper troposphere diminishes deep convection completing an MJO cycle. These results advance our understanding of the development of the MJO in the radiative-convective system over warm waters in the tropics. They show that while the embryo of intraseasonal oscillation may exist in the system its growth/development is largely dependent on cloud radiative effects and feedbacks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Interspecies Transmission from Pigs to Ferrets of Antigenically Distinct Swine H1 Influenza A Viruses with Reduced Reactivity to Candidate Vaccine Virus Antisera as Measures of Relative Zoonotic Risk

During the last decade, endemic swine H1 influenza A viruses (IAV) from six different genetic clades of the hemagglutinin gene caused zoonotic infections in humans. The majority of zoonotic events with swine IAV were restricted to a single case with no subsequent transmission. However, repeated introduction of human-seasonal H1N1, continual reassortment between endemic swine IAV, and subsequent drift in the swine host resulted in highly diverse swine IAV with human-origin genes that may become a risk to the human population. To prepare for the potential of a future swine-origin IAV pandemic in humans, public health laboratories selected candidate vaccine viruses (CVV) for use as vaccine seed strains. To assess the pandemic risk of contemporary US swine H1N1 or H1N2 strains, we quantified the genetic diversity of swine H1 HA genes, and identified representative strains from each circulating clade. We then characterized the representative swine IAV against human seasonal vaccine and CVV strains using ferret antisera in hemagglutination inhibition assays (HI). HI assays revealed that 1A.3.3.2 (pdm09) and 1B.2.1 (delta-2) demonstrated strong cross reactivity to human seasonal vaccines or CVVs. However, swine IAV from three clades that represent more than 50% of the detected swine IAVs in the USA showed significant reduction in cross-reactivity compared to the closest CVV virus: 1A.1.1.3 (alpha-deletion), 1A.3.3.3-clade 3 (gamma), and 1B.2.2.1 (delta-1a). Representative viruses from these three clades were further characterized in a pig-to-ferret transmission model and shown to exhibit variable transmission efficiency. Our data prioritize specific genotypes of swine H1N1 and H1N2 to further investigate in the risk they pose to the human population.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

Experimental and Analytical Verification of ASME Section IiII Division 5 Creep-Fatigue Design Rules

The continuous advancement of structural materials and the growing demands for more reliable and economical structural components in high-temperature reactor applications have necessitated the development of comprehensive design methodologies and design rules. Mechanical degradation of structural components at elevated temperatures subjected to cyclic deformation is controlled by the creep-fatigue damage. Over the past few decades, diligent research efforts have been dedicated to refining the development of elevated temperature design rules in the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section III, Division 5 and to develop conservative design rules that can effectively guard against the risk of creep-fatigue failure. In ASME Section III, Division 5, for a design to pass the creep-fatigue acceptance criteria, creep damage and fatigue damage are evaluated separately, and these damages must not violate the bi-linear creep-fatigue interaction diagram, i.e., the so-called D-diagram. The creep-fatigue damage evaluation procedure assumes that the effects of the actual cyclic loading sequence can be bounded by assuming that the individual loading cycles are uniformly distributed throughout the component design life. In this study, creep-fatigue experiments with variable amplitudes and loading sequencies were designed and performed on Alloy 617 at high temperatures. The results were analyzed to evaluate the loading history effect on creep-fatigue damage accumulation and to verify the assumptions for the creep-fatigue evaluation design rules.

36 - MATERIALS SCIENCE↗

DOE OSTI2025

Identifying Potential Geochemical and Microbial Impacts of Hydrogen Storage in a Deep Saline Aquifer

Hydrogen is valuable commodity and a promising energy carrier for variable energy production. Storage of hydrogen may occur through injection of hydrogen or a hydrogen/methane gas blend in subsurface reservoirs. However, the geochemical and biological reactions that may impact the stored hydrogen are not yet understood. Therefore, we collected samples from a deep storage aquifer located in the St. Peter Formation in southern Illinois. The reservoir material was primarily quartz with sulphur and iron deposits, while the major constituents of the fluid were chloride and sulphate. 16S rRNA gene amplicon sequencing revealed a low biomass microbial community that contained no obvious hydrogen-consuming bacteria. Next, we enriched a field sample to increase the biomass and completed a metagenomic analysis, finding a low number of genes present that are associated with hydrogen consumption. Then, we completed a series of reactor experiments under reservoir conditions with 15% H2/85% CH4 gas simulating a short-term hydrogen storage, high withdrawal scenario. We found minimal changes in the geochemistry or microbiology for the reactor experiments. This work suggests that short-term storage may be highly successful, although significant additional work needs to be completed in order to accurately evaluate the risks associated with long-term hydrogen storage scenarios. It is essential we continue to expand our understanding of the dynamics present in saline aquifers and provide new insights into how hydrogen storage may impact underground geological storage environments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Comparison and validation of the QuEChERSER mega-method for determination of per- and polyfluoroalkyl substances in foods by liquid chromatography with high-resolution and triple quadrupole mass spectrometry

Instances of food contamination with per- and polyfluoroalkyl substances (PFAS) continue to occur globally, but sample preparation and analytical methods are quite limited and often monitor for a small percentage of known PFAS. This study aimed to evaluate, validate, and compare performance of two instruments with the recently developed “quick, easy, cheap, effective, rugged, safe, efficient, and robust” (QuEChERSER) sample preparation mega-method – a method developed to monitor chemicals over a broad range of physicochemical properties. Initial evaluation of the QuEChERSER mega-method for determination of PFAS in food demonstrated recoveries, matrix interferences, and co-extractive removal comparable to (or better than) US Food and Drug Administration (FDA) and USDA Food Safety and Inspection Service (FSIS) methods. Subsequent validation of QuEChERSER in beef, catfish, chicken, pork, liquid eggs, and powdered eggs on a high-resolution mass spectrometer achieved acceptable recoveries (70–120%) and precision (RSDs ≤20%) for all 33 target analytes at the 1 and 5 ng g –1 levels and 67–88% of analytes at the 0.1 ng g –1 level, depending on the matrix. Additional validation was performed by tandem mass spectrometry on a triple quadrupole instrument. This approach provided no non-detects and better recoveries at the 0.1 ng g –1 level than the HRMS method but exhibited more variability at 1 and 5 ng g –1 spiking levels. Analysis of NIST SRMs 1946 and 1947 gave accuracies of 70–117%. Furthermore, these results demonstrate the capability of combining PFAS analysis with a mega-method previously validated for 350 analytes, while collecting non-target data for future retrospective analysis of emerging alternatives with a high-resolution mass spectrometry method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Nature of innovations affecting photovoltaic system costs

Innovations improve technology costs through various kinds of engineering advancements, including changes to materials choices and device or process designs. Understanding how these innovations relate to cost change can reveal aspects of the process of technology evolution, yet developing such understanding is often not possible with a strictly quantitative approach due to data limitations. In this paper we develop a hybrid quantitative-qualitative framework for relating specific innovations to cost change by using the variables in a quantitative technology cost change model as an organizing principle. We demonstrate this framework by applying it to the cost decline in photovoltaic (PV) systems over the last five decades. This framework generates new understanding of a set of innovations that contributed to PV modules’ sustained cost decline and the more modest trends observed in balance-of-system (BOS) costs. The results show the great diversity of innovations that affected PV costs, drawing on wide-ranging fields of expertise within scientific research and practice. We find that there are differences in the characteristics of innovations that reduced the cost of PV modules compared to innovations influencing BOS costs. Numerous module innovations reduced costs by advancing manufacturing tools and processes that improved material quality. Many BOS innovations reduced costs through a combination of component design changes, integration, automation, digitalization, and standardization. Overall, most innovations in our sample affected PV hardware. However, some also target ‘soft technologies’ such as task durations through innovations like fast-track permitting, which require improved collaboration and process streamlining. This framework also provides insight into the nature of knowledge spillovers between technologies. Both module and BOS hardware innovations show the benefits of PV’s position within an ‘ecosystem’ of continuously advancing technologies in many industries, in particular semiconductors and electronics, and also point to the importance of public institutions for accelerating testing, permitting, and training.

14 SOLAR ENERGY↗

DOE OSTI2024

Identifying Controlling Variables for Mercury Vapors in Alpha-4 at Y-12: Two Year Data Collection Update

Multiple sensor packages were deployed at Alpha-4 by SRNL, in collaboration with United Cleanup Oak Ridge LLC (UCOR), to monitor mercury vapor concentrations and meteorological parameters. These sensors collected data, inside and outside of the legacy-use facility, for approximately two years. Though data gaps still exist, particularly in colder months, several controlling variables were identified that govern mercury vapor concentrations within Alpha-4. Temperature, barometric pressure gradients, humidity, and wind speed have been identified as controlling variables. A strong positive correlation was seen between mercury vapor concentrations and temperature which generally followed diurnal fluctuations. Temperatures below approximately 10 degrees Celsius did not show any spikes above the PEL, indicating more work can be performed at any time during the winter months – more data should be collected to confirm consistency in this finding. Additionally, spikes in mercury vapor concentrations above that of the permissible exposure limit (PEL; 100 µg/m 3 ) occurred primarily in late afternoon or evening/overnight hours (between 3 PM and 6 AM), which suggests D&D operations might be best scheduled during morning or daytime hours prior to the late afternoon. However, a limited number of spikes did occur outside of the identified window, although this may be attributed to disturbances in air flow and mercury vapor release from work activities performed inside of the Alpha-4 building. The analysis conducted allows for a strong predictive capability for estimating mercury vapor concentrations based upon accurate meteorological parameters. Still, additional data collection, particularly in the winter months, could help to strengthen the predictive power and validate the identified data trends. Further, increased temporal resolution could also help to better characterize the incipient stages of the increases and decreases in the mercury vapor concentration. Continued monitoring support by SRNL at Y-12 is underway at Alpha-4 to further close remaining data gaps and support deactivation and decommissioning work. Within a collaborative effort with UCOR, the SRNL team is collecting mercury vapor data to study the efficacy of a novel mercury suppressant, FerroBlack® which was recently deployed at Alpha-4. In addition, modifications to the current monitoring setup to increase measurement resolution is also being investigated.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Long-term trends in urban NO 2 concentrations and associated paediatric asthma incidence: estimates from global datasets

Combustion-related nitrogen dioxide (NO 2 ) air pollution is associated with paediatric asthma incidence. We aimed to estimate global surface NO 2 concentrations consistent with the Global Burden of Disease study for 1990-2019 at a 1 km resolution, and the concentrations and attributable paediatric asthma incidence trends in 13 189 cities from 2000 to 2019. We scaled an existing annual average NO 2 concentration dataset for 2010-12 from a land use regression model (based on 5220 NO 2 monitors in 58 countries and land use variables) to other years using NO 2 column densities from satellite and reanalysis datasets. We applied these concentrations in an epidemiologically derived concentration-response function with population and baseline asthma rates to estimate NO 2 -attributable paediatric asthma incidence. We estimated that 1.85 million (95% uncertainty interval [UI] 0.93-2.80 million) new paediatric asthma cases were attributable to NO 2 globally in 2019, two thirds of which occurred in urban areas (1.22 million cases; 95% UI 0.60-1.8 million). The proportion of paediatric asthma incidence that is attributable to NO 2 in urban areas declined from 19.8% (1.22 million attributable cases of 6.14 million total cases) in 2000 to 16.0% (1.24 million attributable cases of 7.73 million total cases) in 2019. Urban attributable fractions dropped in high-income countries (-41%), Latin America and the Caribbean (-16%), central Europe, eastern Europe, and central Asia (-13%), and southeast Asia, east Asia, and Oceania (-6%), and rose in south Asia (+23%), sub-Saharan Africa (+11%), and north Africa and the Middle East (+5%). The contribution of NO 2 concentrations, paediatric population size, and asthma incidence rates to the change in NO 2 -attributable paediatric asthma incidence differed regionally. Despite improvements in some regions, combustion-related NO 2 pollution continues to be an important contributor to paediatric asthma incidence globally, particularly in cities. Mitigating air pollution should be a crucial element of public health strategies for children.

60 APPLIED LIFE SCIENCES↗