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Catalytic Removal of Oxygen and Pollutants in Exhaust Gases from Pressurized Oxy-Combustors

The primary goal of this project was to develop and validate advanced catalytic materials and systems for purifying the flue gas generated from pressurized oxy-combustors in an effort to achieve the purity specifications of carbon dioxide (CO 2 ) streams required by the U.S. Department of Energy (USDOE) for application in enhanced oil recovery. The technology has shown great potential for improving energy efficiency, simplifying process complexity, and lowering costs compared with current state-of-the-art oxy-combustion flue gas purification technologies. Laboratory studies were conducted for the development, characterization, and screening of metal catalysts for residual oxygen (O 2 ) reduction with methane (CH 4 ) and multifunctional carbon catalysts for combined nitrogen oxides (NO x ), sulfur oxides (SO x ), and mercury (Hg) removal. A bench-scale reverse-flow fixed-bed (RFFB) reactor and a trickle-bed direct-contact cooler (DCC) reactor capable of treating 15 standard liters per min of pressurized oxy-combustion flue gas were fabricated and tested with both a simulated flue gas in the laboratory and a slipstream of actual flue gas at a 100 kW th Staged, Pressurized Oxy-Combustion (SPOC) pilot facility. Process simulation and techno-economic studies were performed to evaluate the energy efficiency and cost of the developed catalytic flue gas purification process integrated into a conceptual 550-MWe SPOC power plant. The goal and objectives of the project have been successfully accomplished. A cobalt-manganese (CoMn) oxide catalyst was developed and demonstrated in the bench-scale RFFB reactor in either a reverse-flow or one-direction flow mode of operation that met the success criterion of performance for residual O 2 reduction. A carbon catalyst was developed and demonstrated in the bench-scale DCC reactor that met the success criterion of performance for combined NO x /SO x /Hg removal. Slipstream testing of the integrated DCC-RFFB system at the SPOC pilot facility demonstrated stable operation and verified the superior performance obtained in the laboratory. The techno-economic analysis showed that a 550-MWe SPOC plant integrated with the catalytic flue gas purification process would result in costs of electricity of $\$$96.94/MWh and $\$$80.27/MWh in two assessed cases compared with $\$$91.07/MWh reported for the USDOE’s Current Technology Case, which generated only a partially pure CO 2 stream. On the basis of the results and findings from this project, scale-up studies of materials production and system demonstration and optimization studies of reactors and processes are recommended at the next stage of technology development.

20 FOSSIL-FUELED POWER PLANTS↗

SAM Code Enhancements for Fission Product Tracking of Noble Gases and Metals in MSRs

This report documents fiscal year 2026 enhancements to the System Analysis Module (SAM) for modeling fission product transport in liquid-fueled molten salt reactors (MSRs). The work advances three principal areas: noble gas transport, noble metal deposition, and user interface improvements. The noble gas transport capability integrates drift-flux gas transport, Henry’s law two-film interphase mass transfer with pressure-based nucleation suppression, Knudsen-regime pore diffusion into porous graphite with a conjugate salt-graphite interface constraint, built-in material properties, five Sherwood-number mass transfer correlations including three derived from high-fidelity NekRS simulations, and xenon-135 reactivity feedback through SAM’s point-kinetics model. This work also presents a comprehensive verification test suite, including new analytically verified cases for pressure-dependent onset of interphase gas transfer in a stagnant vertical pipe, a postulated FLiBe-graphite Xe extraction permeator, a gravity riser with a fission-product source, and a descending pipe with gas redissolution driven by hydrostatic pressure. A machine learning framework for bubble rise velocity prediction in molten salt systems is developed and benchmarked on molten-salt and diverse aqueous bubble datasets. The best-performing fine-tuned transfer-learning networks achieve an 82% reduction in RMSE relative to the Clift correlation, and is implemented directly in SAM. The noble metal transport capability is developed, including a liquid-wall deposition model and a gas-surface flotation mechanism that transfers insoluble particles entrained by sparging gas to wetted structures. Verification tests and demonstration cases cover the surface deposition, flotation efflux, and flotation shedding. Finally, a new [SpeciesTransport] input structure replaces positional global vectors with selfcontained, order-independent, named species blocks, simplifies the specification of multiphase species and decay chains, and remains fully compatible with existing SAM input files. Together, these developments improve the physical fidelity, verification basis, and usability of SAM for system-level analyses of fissionproduct behavior in MSRs.

Mui, Travis (ORCID:0000000303736470)↗

Numerical schemes for 3-wave kinetic equations: A complete treatment of the collision operator

In our previous work Walton and Tran (2023), numerical schemes for a simplified version of 3-wave kinetic equations, in which only the simple forward-cascade terms of the collision operators are kept, have been successfully designed, especially to capture the long time dynamics of the equation given the multiple blow-up time phenomenon. In this second work in the series, we propose numerical treatments for the complete 3-wave kinetic equations, in which the complete, much more complicated collision operators are fully considered based on a novel conservative form of the equation. Here we then derive an implicit finite volume scheme to solve the equation. The new discretization uses an adaptive time-stepping method which allows for the simulations to be carried to very long times. Our computed solutions are compared with previously derived long-time asymptotic estimates for the decay rate of total energy of time-dependent solutions of 3-wave kinetic equations and found to be in excellent agreement.

97 MATHEMATICS AND COMPUTING↗

Simple analytic fusion hot spot models for fusion reaction history

The measured fusion reaction history is a combination of the temporal evolution of the fusion hot spot temperature, mass, and volume. Depending on the mechanism of evolution in inertial confinement fusion implosions—shocks, compression, convergence, mass ablation, ignition—the evolution of the reaction history varies. Here, we derive and catalog a set of simplified inertial confinement fusion hot spot models with analytic solutions to infer the evolution of the fusion reaction history for each mechanism. The models give valuable insight into the meaning and cause of fusion reaction history and nuclear burnwidth measurements.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Snekmer: a scalable pipeline for protein sequence fingerprinting based on amino acid recoding

Abstract Motivation The vast expansion of sequence data generated from single organisms and microbiomes has precipitated the need for faster and more sensitive methods to assess evolutionary and functional relationships between proteins. Representing proteins as sets of short peptide sequences (kmers) has been used for rapid, accurate classification of proteins into functional categories; however, this approach employs an exact-match methodology and thus may be limited in terms of sensitivity and coverage. We have previously used similarity groupings, based on the chemical properties of amino acids, to form reduced character sets and recode proteins. This amino acid recoding (AAR) approach simplifies the construction of protein representations in the form of kmer vectors, which can link sequences with distant sequence similarity and provide accurate classification of problematic protein families. Results Here, we describe Snekmer, a software tool for recoding proteins into AAR kmer vectors and performing either (i) construction of supervised classification models trained on input protein families or (ii) clustering for de novo determination of protein families. We provide examples of the operation of the tool against a set of nitrogen cycling families originally collected using both standard hidden Markov models and a larger set of proteins from Uniprot and demonstrate that our method accurately differentiates these sequences in both operation modes. Availability and implementation Snekmer is written in Python using Snakemake. Code and data used in this article, along with tutorial notebooks, are available at http://github.com/PNNL-CompBio/Snekmer under an open-source BSD-3 license. Supplementary information Supplementary data are available at Bioinformatics Advances online.

59 BASIC BIOLOGICAL SCIENCES↗

Code Benchmark of the HTTF Pressurized Conduction Cooldown Test Using SAM

The High Temperature Test Facility (HTTF) at Oregon State University is an integral system test facility to simulate postulated reactor transients of prismatic high-temperature gas-cooled reactors(HTGRs). A series of test campaigns was launched, providing abundant test data that could be used to benchmark reactor system analysis codes like the System Analysis Module (SAM). In this study, a SAM model of the facility is developed based on the two-dimensional (2D) ring model approach. All components including the ceramic matrix, graphite heaters, helium coolant channels, core barrel, upcomer, pressure vessel, and reactor cavity cooling system are modeled as concentric cylindrical rings. The model is used to simulate one of the benchmark problems-Pressurized Conduction Cooldown (PCC)-within the scope of the Organisation for Economic Co-operation and Development Nuclear Energy Agency International HTTF Benchmark. The simulations consist of two parts. In the first part, operating and boundary conditions as well as thermophysical properties of materials are specified for the benchmark problem. In this work, results from the first part will be used in code-to-code comparison. In the second part, the SAM model is used to simulate Test PG-27, which is the first PCC test carried out in the HTTF, with only two of the ten heater banks activated. The results in the second part are used for code-to-data comparison. Because the helium coolant flow rate is not measured in this facility, it is estimated using the input power and inlet/outlet coolant temperatures. Additionally, radial heat flow in the ceramic blocks is complicated by hundreds of cylindrical coolant channels and heater rods embedded in them. As such, it is necessary to deduce an effective thermal conductivity for the ceramic to analyze the core thermal behavior. SAM predictions of the helium coolant and ceramic temperatures are compared with test data measured in three equivalent sectors. Overall, the SAM results agree reasonably well with test data within the variation of data among the three sectors, which demonstrates SAM's capability in capturing transient effects in HTGR using the simplified 2D ring model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Benchmark Exercise Report for Experimental Study of Bubble Scrubbing in Water Coolant Pool

Mechanistic assessments of radionuclide release during postulated accidents are expected to be included in advanced reactor license applications. The mechanistic source term (MST) provides an opportunity for vendors to realistically evaluate the radiological consequences of an incident, and may aid in justifying reduced emergency planning zones and plant sites. However, the development of MSTs for advanced nuclear reactors is challenging because there are numerous phenomena that can affect the transport and retention of radionuclides. As part of a trial MST assessment for a metal-fueled, pool-type sodium cooled fast reactor (SFR), led by Argonne National Laboratory, a simplified radionuclide transport code (SRT code) was developed, which includes models to estimate the quantity of fission product aerosols scrubbed in the sodium pool during postulated accident scenarios. In a pool-type SFR, when fission products are released into the coolant pool due to failure of fuel pins, most of the radionuclides are scrubbed by the coolant pool, but some have the potential to migrate to the cover gas region through entrainment within gas bubbles. The SRT code contains a model that evaluates this scrubbing behavior and calculates the fraction of fission product aerosols that reach the cover gas. Due to a lack of available validation data for sodium pool scrubbing, the U.S. Department of Energy funded an experiment at the University of Wisconsin-Madison to measure aerosol scrubbing by injecting air bubbles containing aerosol into a coolant pool. Prior to performing an experiment with liquid sodium, a water loop experiment was performed. Their experiment evaluated the effect of changing the aerosol size, aerosol density, aerosol concentration, bubble size, and pool depth on the aerosol scrubbing efficiency of the pool. In this benchmark experiment, the base tests were conducted by repeated tests of isolated bubbles. Afterwards, more prototypic tests with bubble swarms were performed to evaluate the interactions between the bubbles. The bubble swarm test was able to confirm that a larger amount of aerosol scrubbing occurred than the single bubble test. It was also confirmed that as the bubble size, aerosol density, and pool height increase, the extent of pool scrubbing also increases and does not change with the aerosol concentration. In addition, since the degree of scrubbing is the lowest at aerosol sizes between 0.01 and 1 μm, that is, the largest amount of aerosol is emitted, it was confirmed that the analysis of this size in MST is the most important. This benchmark experiment informs the direction of future sodium experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period October 2022-March 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary heat transport system to ensure temperatures in the reactor systems, structures and components with significant safety margins during normal operation and design basis accident scenarios. This third semi-annual report summarized the progress made at Argonne on the two tasks during the first half of FY23. As a part of the RCCS design task, a design process for the water panel and the system configuration was performed to improve the thermal performance of the RCCS. The updated water panel design had achieved enhanced thermal performance with 0.96 MWth capability with major design updates made in structural interfaces with the RPV and initial configuration of the water tanks. The loop configuration of the RCCS has been proposed to have two independently working loops for system redundancy. A water panel material study was performed focusing on the use of carbon steel in water systems. Additional modeling strategies of primary system thermal fluids analyses were developed to meet modeling needs that are not well suited for the 1D-3D assembly level approach. The first of these is a reduced order assembly model, in which fuel centered unit cells are used to represent a fuel assembly. The 2D approach used in this model is much more computationally efficient, making this model useful for full core transient scenarios where fuel to coolant heat transfer is still the dominant flow path. The next model is the 3D core conduction model to be used to analyze decay heat removal in loss of primary system flow scenarios. Because these scenarios require a large domain to be modeled, a homogenized core model is being pursued to reduce the required computational costs. To accurately model decay heat scenarios it is necessary to couple a RCCS model to the 3D core conduction model. A simplified case is presented to demonstrate how the coupling methodology will be applied to the full core 3D conduction model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Advancements in Multiphysics Microdepletion Analysis of an eVinci TM -like Microreactor Leveraging OpenMC-CRAB Workflow

Nuclear microreactors (MRs) are a class of nuclear reactor technology, characterized by reduced dimensions, modular design, and reduced power output in contrast to conventional Light Water Reactors (LWRs). MRs are proposed for supplying electricity and eventual process heat to remote locations, such as military installations and disaster-affected areas. Current research work sponsored by the US Department of Energy Microreactor Program (MRP) is devoted to the development of novel modeling and simulation tools to better support MR vendors and regulatory bodies. Notably, the NRC is projected to utilize the CRAB multiphysics software driver for executing both design and beyond-design-basis accident analyses. Furthermore, the NRC has been utilizing the MELCOR code to calculate mechanistic source terms during accidents. Since MELCOR relies on isotopic inventory and reactor temperature/power profiles under accident conditions, which theoretically can be derived from CRAB, the goal is to establish a comprehensive CRAB-MELCOR computational framework. Past work was focused on testing and demonstrating CRAB's capability to generate results that can be used to inform mechanistic source term calculations in MELCOR. In particular, a computational workflow leveraging OpenMC-generated microscopic cross sections and CRAB was first applied to perform multiphysics microscopic depletion calculation followed by an accident scenario for a stylized microreactor problem. In fiscal year 2024, the research work has been focused on applying the OpenMC-CRAB workflow, which was first tested in fiscal year 2023, to a realistic 3D heat-pipe cooled MR problem representative of the eVinci TM design. The latter computational problem was developed with inputs from WEC to conserve selected neutronic and thermal characteristics of the eVinci TM design without releasing proprietary data. The results of this simulation, encompassing isotopic inventory, power density distribution, and kinetic parameters, will inform both MELCOR and the WEC-developed FATE code for mechanistic source terms calculations. The results from the two codes will then be compared for code verification purposes. This report contains the design characteristics of the realist heat pipe cooled microreactor developed as a use-case for the verification exercise, and the current results for the multiphysics microscopic depletion performed with the OpenMC-CRAB workflow. The results include eigenvalue as a function of time, power distribution at EOL, in addition to nuclides inventory's time evolution and spatial distribution. Finally, we report improvements to the workflow efficiency achieved through a collaboration with the NEAMS programs. Through this collaborative effort, we were able to strongly decrease the computational time for the multiphysics microdepletion calculation (i.e., from 17.4 hours to 5.7 hours on 280 processors) in addition to simplifying the interface to generate isotopics spatial distribution utilizable by FATE and MELCOR. Future work, including the improvement of the current microscopic cross-sections' library and the simulation of an accident scenario at EOL, is also discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Skeletides: A Modular, Simplified Physical Model of Protein Secondary Structure

Three-dimensional (3D) models are essential for visualization and conceptual understanding of complex architectures such as protein structure. Although there is a plethora of software platforms that allow digital depictions of protein structure at an atomic level in silico, physical models are needed to convey an intuitive understanding of biomolecular architecture. However, it is a challenge to represent all the relevant features of proteins in a single physical model due to their sheer structural complexity. Here, we describe a modular protein model that focuses only on representation of the secondary structure—the underlying structural skeleton. The simplified model consists of amino acid units, which can be linked together to reproduce the two most fundamental structural features of protein secondary structure: the relative positions of the amino acid alpha carbon atoms, and the intra-main chain hydrogen bonding pattern. We use 3D printing and magnets to create a set of three modular amino acid building blocks, which when linked together into a chain, can faithfully represent alpha helices, beta sheets, and turns. These simple to make models can be used to quickly assemble the alpha carbon trace of an entire protein domain, which conveys a tactile experience of the complexity of protein skeletal architecture. These models highlight the modularity of protein structure: where a single structural unit, the amino acid, can be linked together to form a larger, regular secondary structure. These models also have a propensity to spontaneously organize into alpha helices and beta sheets, as demonstrated by their ability to autonomously assemble when placed in a circulating water tank. These models provide a missing educational tool to expand knowledge of protein structure, foster deeper insight into protein folding, and inspire greater interest in biomacromolecular architecture.

36 MATERIALS SCIENCE↗

Fast and Accurate Intersections on a Sphere

We introduce a fast, high-precision algorithm for calculating intersections between great circle arcs and lines of constant latitude on the unit sphere. We first propose a simplified intersection point formula with improved speed and numerical robustness over the ones traditionally implemented in geoscience software. We then show how algorithms based on the concept of error-free transformations (EFT) can be applied to evaluate this formula within a relative error bound that is on the order of machine precision. Here, we demonstrate that, with a vectorized and parallelized implementation, this enhanced accuracy is achieved with no compute time overhead compared to a direct calculation in hardware floating point, making our algorithm suitable for performance-sensitive applications like regridding of high-resolution climate data. In contrast, evaluating our formula using high-precision data types like quadruple precision and arbitrary precision, or using the robust intersection computation routines from the Computational Geometry Algorithms Library, leads to significant computational overhead, especially since these alternatives inhibit vectorization. More generally, our work demonstrates how EFT techniques can be combined and extended to implement nontrivial geometric calculations with high accuracy and speed.

Environmental sciences↗

An Applied Strategy for Using Empirical and Hybrid Models in Online Monitoring

The monitoring of plant equipment for failure prediction is one of the key contributors to operation and maintenance (O&M) costs for a nuclear power plant (NPP) because O&M monitoring depends on labor-intensive activities that are required to meet high equipment reliability standards. These activities rely primarily on humans for information gathering, condition diagnosis, and predictive analysis. Online monitoring aims to automate these activities by relying on sensors to replace human information gathering and machine learning to replace human analysis and decision making. To facilitate automated monitoring, a systematic strategy for anomaly detection is needed to optimally use the available sensor data, empirical models, and physics-supported models. This strategy is essential to provide credible reasoning on why and when an empirical (i.e., purely data-driven) versus hybrid (i.e., physics-supported) approach should be used and to determine the ideal mix of these two approaches for a defined anomaly detection scope. The extant methods usually adopt an ad hoc trial-and-error approach that, in addition to being time-consuming and costly, is also highly subjective; it is impacted by the background and the skill set of the personnel making the decisions. Thus, such an approach cannot guarantee an optimum outcome. This represents the motivation of the current research effort, which is focused on devising a scientifically supported strategy for the optimum selection of anomaly detection methods. This report presents a detailed assessment of the main anomaly detection techniques within the empirical or hybrid method streams. Empirical methods include pattern, statistical, and causal inference. Hybrid methods include the use of physics models to train and test data methods, reduce data dimensionality, reduce data-model complexity, augment data, and reduce empirical uncertainty; hybrid methods also include the use of data to tune physics models. The listed techniques within these two streams represent the vast majority of techniques performed for anomaly detection. Using the techniques as outcomes, a strategy was developed to enable a systematic decision-making process to lead to one of these techniques. The strategy is driven by key decision points related to data relevance, simple modeling feasibility, data inference, physics-modeling value, data dimensionality, physics knowledge, method of validation, performance, data availability and suitability for training and testing, cause-effect, entropy inference, and model fitting. Each of these decision points in the strategy is explained in detail in this report with examples, along with the scientific basis behind the decisions and outcomes in common and simplified terminology. The strategy is developed for use by any NPP staff with basic engineering or science knowledge. A user-friendly graphical state flow diagram was also developed as a visual presentation of the strategy. The strategy was tested and demonstrated through two pilot projects for the application of anomaly detection at an NPP. Each pilot had two use cases: an initial case in which certain decisions were made that resulted in one or more empirical techniques and a revised use case where one or more key decisions were modified resulting in using a set of hybrid methods.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Overview of Upcoming Process Improvement Efforts at the Saltstone Facilities at the Savannah River Site - 20474

The Saltstone Facilities at the Savannah River Site (SRS) process and dispose of low activity salt solution waste generated by other liquid waste facilities. Today in the Liquid Waste System (LWS), approximately 125 million liters of salt waste remain to be processed. The Saltstone Production Facility (SPF) receives the decontaminated salt waste, which is mixed with dry feeds consisting of cement, fly ash and slag to produce the saltstone. The mixed slurry is pumped to the Saltstone Disposal Units (SDUs) for safe disposal in the Saltstone Disposal Facility (SDF). To support continuous Salt Waste Processing Facility (SWPF) operations at annual processing volumes many times higher than present, significant modifications are required to ensure that the SPF has the capacity to support the throughput of salt waste. These changes include several infrastructure upgrades that are being worked through the Enhanced Low Activity Waste Disposal (ELAWD) project. In addition to infrastructure upgrades, Savannah River Remediation (SRR), the Savannah River Site's Liquid Waste Contractor for the U.S. Department of Energy, has identified a flowsheet improvement opportunity of implementing a cement-free saltstone formulation to eliminate cement from the current three component formulation. This two-component formulation would simplify the procurement, transport, off-loading, and storage of the premix materials, and increase the storage capacity for the individual components. This flowsheet, when implemented, will reduce operational risk and improve throughput necessary to achieve disposal rates necessary for SWPF operations. Research has been completed to confirm the feasibility of this formulation, with the new cement-free flowsheet expected to be implemented in the next few years. Improvements have also been identified downstream of the SPF to increase SDU utilization. Specifically, a concentrated effort has taken place to raise the fill height in SDU 6 to the full disposal height, 13 meters, to maximize the usage of each SDU in support of the liquid waste disposal mission. This improvement has been made through additional thermal modeling and improved process understanding to create a SDU flammability model and control strategy more representative of facility operations. This work will allow for the completion of construction and operational readiness for SDU 7 while filling SDU 6 to ensure there is no lapse in available space once SWPF starts up. A summary of these improvements as they relate to increased throughput will be provided along with associated status. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Estimation of the Thermal-Fluids and Thermal-Structural Performance of Helium-Cooled Modular Finger-Type Divertors

Over the past decade, our group has investigated the thermal-fluid performance of the helium-cooled modular divertor with multiple jets (HEMJ) and a simplified “flat” design of the HEMJ for long-pulse magnetic fusion energy (MFE) reactors. Experimental studies were performed in a helium (He) loop at the prototypical pressure of 10 MPa, nearly prototypical He temperatures and incident heat fluxes using test sections made from stainless steel and tungsten alloys. Correlations for average Nusselt numbers and pressure loss coefficients were developed from the data and are used to validate computational fluid dynamics (CFD) models. Here, this work presents updated thermal-fluids performance curves based on these correlations that estimate the maximum heat flux that can be accommodated by the plasma-facing surface and coolant pumping power requirements at prototypical operating conditions. Thermal-structural performance curves developed from ITER structural design criteria are introduced, which include protection against ductile and non-ductile failure, ratcheting fatigue, and creep fatigue. The performance design curves for these finger-type divertors demonstrate that the “flat” design, with a significantly less complicated geometry than the HEMJ, has thermal-fluid and thermal-structural performance comparable to the original HEMJ concept, and may be superior in terms of non-ductile failure criteria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Simplified Model and Approach to Transform Infrared Surface Temperature to Film Effectiveness in a Conjugate Heat Transfer Experiment

In the pursuit of more efficient gas turbines, film cooling is a critical technology. This article describes a simplified engineering model based on a one-dimensional thermal resistance network. The model is used to relate film-cooling effectiveness and heat transfer augmentation to local overall cooling effectiveness in a conjugate flat plate experiment. Here, this article presents experimental proof-of-concept data to demonstrate the potential for this model. In contrast to previous approaches, neither the wall heat flux nor the adiabatic wall temperature is required to estimate the local film-cooling performance parameters. The model predicts surface temperatures that are within the experimental uncertainties over the range for which the model is trained and to within five percent when the model is extrapolated to higher coolant channel Reynolds numbers. This article is relevant to conjugate test rigs that can measure the hot-surface temperature distribution with and without film cooling. This information may also be relevant to designers as a method to approximate surface temperatures or used as an approximate heat transfer model for optimization studies.

advanced turbines↗

Robust estimation of charge carrier diffusivity using transient photoluminescence microscopy

Transient microscopy has emerged as a powerful tool for imaging the diffusion of excitons and free charge carriers in optoelectronic materials. In many excitonic materials, extraction of diffusion coefficients can be simplified because of the linear relationship between signal intensity and local excited state population. However, in materials where transport is dominated by free charge carriers, extracting diffusivities accurately from multidimensional data is complicated by the nonlinear dependence of the measured signal on the local charge carrier density. To obtain accurate estimates of charge carrier diffusivity from transient microscopy data, statistically robust fitting algorithms coupled to efficient 3D numerical solvers that faithfully relate local carrier dynamics to raw experimental measurables are sometimes needed. Here, we provide a detailed numerical framework for modeling the spatiotemporal dynamics of free charge carriers in bulk semiconductors with significant solving speed reduction and for simulating the corresponding transient photoluminescence microscopy data. To demonstrate the utility of this approach, we apply a fitting algorithm using a Markov chain Monte Carlo sampler to experimental data on bulk CdS and methylammonium lead bromide (MAPbBr 3 ) crystals. Parameter analyses reveal that transient photoluminescence microscopy can be used to obtain robust estimates of charge carrier diffusivities in optoelectronic materials of interest, but that other experimental approaches should be used for obtaining carrier recombination constants. Additionally, simplifications can be made to the fitting model depending on the experimental conditions and material systems studied. Our open-source simulation code and fitting algorithm are made freely available to the scientific community.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

University of Hawai‘i, Shallow Geothermal Resources: Energy Technology Innovation Partnership Project (Final Report)

Scientists at Lawrence Berkeley National Laboratory (Berkeley Lab) have teamed up with the University of Hawai‘i at Manoa (UH Manoa) through the U.S. Department of Energy’s Energy Technology Innovation Partnership Project to evaluate the technological and market feasibility of shallow geothermal heat exchanger (GHE) technology. UH requested this analysis to evaluate opportunities in building cooling, energy efficiency, and emissions reduction applications in Hawai‘i. UH has an abundance of geologic and geothermal data and is looking to the national labs’ expertise to execute this analysis. UH is also interested in investigating policy, regulatory, and business conditions advantageous for implementation of a pilot project and more broad deployment of this technology in Hawai‘i. In many locations around the world, the demands for heating and cooling are roughly balanced over the course of the year, so GHEs do not cause significant long-term changes in subsurface temperature. This is not the case in Hawai’i, where the demand for heating is very small, meaning that, over time, GHEs will add heat to the subsurface. If temperatures increase significantly, GHE systems will not work as designed. Regional groundwater flow has the potential to sweep heated water away from boreholes, thereby maintaining the functionality of the GHE system. Significant regional groundwater flow requires two things: a sufficiently large driving hydraulic head gradient (usually closely related to surface topography), and sufficient porosity and permeability to enable groundwater to flow in large enough quantities to enable near-borehole temperatures to be maintained at ambient values. Hawai‘i’s volcanic terrain offers ample surface topographic variation. The lava itself shows an extremely large range of porosity and permeability, so sites with large enough values of these properties must be selected. Numerical modeling of coupled groundwater and heat flow can be used to determine how large is large enough. Primarily, closed-loop systems have been investigated. Other options considered are open-loop systems and using cool seawater as the chilling source. Project work investigated the feasibility of GHE technology at two scales. At the island scale, GIS layers of various attributes relevant for GHE were combined to develop an overall favorability map for employing GHE in Hawai‘i. At the local scale, a hydrogeologic model for the subsurface component of a closed-loop system was developed for the Stan Sheriff Center at the UH Manoa campus. This site is considered promising because the rock below and immediately downgradient of the borefield is highly permeable, consisting of a subsurface karst system (limestone containing high-permeability open channels), which is underlain by a thick, high-permeability fractured basalt. Moreover, the site is near the base of the Ko‘olau Range, providing a large hydraulic head gradient. Thus, groundwater flow through the site is expected to be large, enabling efficient removal of heated groundwater. A full-GHE-system model of the site was also developed, with a simplified representation of the subsurface, in which groundwater flow is not considered and heat transfer is purely by conduction. Using the building cooling load data provided by UH, simulation results show that with groundwater flow present, a GHE can operate successfully for at least 10 years, but with no groundwater flow, the subsurface begins to heat up after only one year of operation, making the GHE unviable within 2-6 years. The team also developed a techno-economic model for this site to compare the cost of cooling using a GHE system with the costs of operating the current air-conditioning system. The GHE system is advantageous economically if favorable tax incentives and interest rates can be obtained.

15 GEOTHERMAL ENERGY↗

Daily grass reference evapotranspiration with Meteosat Second Generation shortwave radiation and reference ET products

Here we assess the accuracy of estimating daily grass reference evapotranspiration (PM-ET o ) using daily shortwave radiation (R s ) and reference evapotranspiration (ET REF ) products provided by the Meteosat Second Generation (MSG) geostationary satellite delivered by the Satellite Applications Facility on Land Surface Analysis (LSA-SAF) framework. The accuracy of using reanalysis ERA5 shortwave radiation data (R s ERA5 ) provided by the European Center for Medium-Range Weather Forecasts (ECMWF) is also evaluated. The assessments were performed using observed weather variables at 37 weather stations distributed across continental Portugal, where climate conditions range from semi-arid to humid, and 12 weather stations located in Azores islands, characterized by humid, windy and often cloudy conditions. This study&#x27;s use of data from a variety of climate conditions contributed to a unique and innovative assessment of the usability of LSA-SAF and ERA5 products for ET o estimation. The first assessment focused on comparing LSA-SAF estimates of R s (R s LSA-SAF ) against ground stations (R s ground ). The results showed a good matching between the two R s data sets for continental Portugal but a tendency for R s LSA-SAF to under-estimate R s ground in the cloudy islands of Azores. ET o values computed using R s LSA-SAF data and observed temperature, humidity and wind speed (ET o LSA-SAF ) were then compared with PM-ET o estimates with ground-based data, which were used as benchmark; input data of temperature and humidity needed for PM-ET o were quality checked for surface aridity effects. It was observed that ET o LSA-SAF is strongly correlated with PM-ET o (R 2 > 0.97) for most locations in continental Portugal, with regression coefficient of a linear regression forced to the origin ranging between 0.95 and 1.05, mean root mean square error (RMSE) of 0.13 mm d –1 , and Nash and Sutcliff efficiency of modeling (EF) above 0.95. For most Azores locations, ET o LSA-SAF over-estimated PM-ET o . This is likely a consequence of the high spatio-temporal heterogeneity of weather conditions that occur in these oceanic islands together with the different footprints of satellite (averaged over the pixel) and station observations. Reanalysis ERA5 shortwave radiation data presented similar behavior to the LSA-SAF products, however with slightly lower accuracy. The daily LSA-SAF ET REF product (ET REF LSA-SAF ) was assessed and results have shown a good accuracy of this product, with acceptable RMSE and high EF values, for continental Portugal but a low accuracy for the Azores islands. A simplified bias correction approach was shown to improve both ET o derived from the LSA-SAF products, namely for Azores stations, which seem to be representative of smaller areas. The use of the FAO-PM temperature approach (PMT) was also assessed using the R s LSA-SAF and R s ERA5 data, which showed a superiority of the LSA-SAF product for ET o estimations (ET o PMT LSA-SAF ). No significant differences (p < 0.05) were observed in terms of the median value of the RMSE when adopting ET o PMT and ET REF LSA-SAF . Differently, results showed that using the R s LSA-SAF in the PMT approach (ET o PMT LSA-SAF ) produces significantly better RMSE results than ET o PMT and ET REF LSA-SAF . Overall, the performed assessment allows concluding that the use of R s LSA-SAF, and to a lesser extent the use of the R s ERA5 , highly improves the accuracy of computation of ET o when R s observations are not available, including when only temperature data are accessible. The use of the ET REF LSA-SAF product is a good alternative when observed weather data are not available.

54 ENVIRONMENTAL SCIENCES↗