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At least 721 records · Page 40

Molecular Aspects of Transport in Thin Films of Controlled Architecture (Final Technical Report)

The scientific and technological objectives of this project are motivated by problems in energy technologies that utilize differential transport in nanoscale confined volumes to achieve molecular separations. The core scientific phenomena that control observable behavior - wetting/dewetting, hydrophobicity, stochastic fluctuations in fluid flow, electrokinetics, etc. - are fundamentally different on the nanoscale, because the underlying forces that direct molecular motion are altered upon scaling to nanometer dimensions. We proposed to address this overarching problem by pursuing two objectives. Objective 1 targeted the development of single molecule-based electrokinetic, electrochemical and spectroelectrochemical probes of transport in one-dimensional (1D) nanostructures. Objective 2 focused on the interaction between wetting phenomena and nanoconfined flows under active (electrical and/or electrochemical) control. The studies were intended to develop the design rules, structural motifs, and operating principles needed to achieve singular control over molecular transport in nano-confined volumes, thereby impacting a broad spectrum of energy-relevant separations processes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Elastic Flow Modeling for Hydropower Digital Twins

This report details the elastic, unsteady, one-dimensional flow equations that are used to model flow through a penstock in a hydropower facility. The elastic flow model is accurate even in cases of fast transients, long penstock length, and high gravitation head. The compressibility of the water and elasticity of the pipe walls are explicitly accounted for in the developed models so that the water hammer phenomena can be accurately captured. The elastic flow model is coupled to a mechanistic turbine model to resolve the dynamic feedbacks between the elastic water column and the turbine rotation rate. A finite volume method is employed to solve the governing equations, and the method is shown to have low numerical diffusion in sharp gradient phenomena, such as those encountered when simulating water hammer. The method is applied to single dimensional linear advection benchmark problem and numerical results are compared with analytic results. This is followed on by an application to a full hydropower system with a coupled turbine. The elastic flow model results are compared against an inelastic model.

13 HYDRO ENERGY↗

Understanding the Structure and Dynamics of Conjugated Polymers by Advancing Deuteration Chemistry and Neutron Scattering (Final Report)

The overarching goal of the proposed work was to set up a partnership between the University of Southern Mississippi (USM) and Oak Ridge National Laboratory (ORNL) to develop novel approaches to measure the backbone rigidity of conjugated polymers (CPs) and understand the critical role of sidechains on the backbone conformation and the materials macroscopic property. The backbone rigidity greatly influences the electronic properties of CPs, which ultimately determines the functionality and performance of these materials. Improvements in the electronic properties of CPs would allow for enhanced charge transport in semiconductor devices, improved photovoltaic performance, recycling of waste heat in thermoelectrics, and discovery of new phenomena that will enable the next generation of energy technologies. Although significant progress has been made to optimize the optical and electronic properties of CPs, largely through Edisonian methodologies, it remains a challenge to experimentally characterize conjugated backbone conformation (chain rigidity, torsion, planarity, and short-range order) and relate these to the fundamental optical and electronic properties (electronic coupling, charge transport, etc.). This has left fundamental gaps in our knowledge of the most basic structure/property relationships within these systems, precluded the study of fundamental physical phenomena, and constrained the design and realization of new electronic and device functionalities. Thus, the major goal of this work is to use novel deuteration methodologies via systematic synthetic approaches, and neutron scattering techniques to comprehensively characterize the structural and dynamic properties of CPs in contrast-matching solvents. Our work would, for the first time, elucidate the relationship between backbone rigidity and macroscopic properties. They will also allow a rational formulation of design principles for next-generation CPs that are resilient to disorder through precise control of the delocalized electrons along the polymer backbone. Overall, this project will advance our understanding of the structure, dynamics, and fundamental physics of these materials, which is crucial for enabling the prediction, design, control, and manipulation of current and emerging material electronic properties.

36 MATERIALS SCIENCE↗

Spectroscopy of Degenerate One-Dimensional Electrons in Carbon Nanotubes (Final Report)

The goal of this research program was to understand the fundamental properties of degenerate one-dimensional (1-D) electrons in single-wall carbon nanotubes (SWCNTs). SWCNTs provide an ideal 1-D environment in which to study many-body physics. Semiconducting SWCNTs exhibit rich optical spectra dominated by extremely stable 1-D excitons, whereas metallic SWCNTs contain massless 1-D carriers with ultralong mean-free paths. Despite the large number of electrical, optical, and magnetic studies of SWCNTs during the last two decades, most of the predicted exotic properties of interacting 1-D electrons have yet to be observed, and some reported experimental results remain highly controversial. Here, we report on our research projects for the last 16 years summarizing spectroscopy on SWCNTs using an arsenal of spectroscopic methods from the terahertz to the visible spectral range, including ultrafast optical spectroscopy and ultrahigh magnetic fields. These studies provided a wealth of new insights into the nature of strongly correlated carriers in the ultimate 1-D limit that will lead to novel nanodevice concepts and implementations. Particular emphasis was placed on dynamical 1-D phenomena in the terahertz, infrared, and optical frequency ranges. Because SWCNTs are direct-band-gap materials, they are one of the leading candidates to unify electronic and optical functions in nanoscale circuits and elucidate how electron correlations can affect and control finite-frequency phenomena in 1-D systems. As a result, we have published 78 research articles (Web of Science), including ten reviews and book volumes/chapters. Below, we highlight and summarize several accomplishments that provided new insights into the fundamental properties of1-D carriers, excitons, and phonons of SWCNTs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Studying light–matter interactions and energy transfer at the nanoscale with a trapped–ion quantum computer

A grand challenge in materials sciences is to control energy transduction, transfer and dissipation at the nanoscale. Meeting this challenge requires progress in nanoscale fabrication and synthesis, but equally importantly, also progress in our understanding of how nanoscale structure influences these phenomena. Although detailed quantum mechanical models exist that capture the structure and physics of materials and molecular species, solving these models to calculate the relevant emergent phenomena, which often occur over vastly different time and energy scales, has so far proven difficult. In this project, we studied how to model energy transfer and light-matter interactions using trapped-ion quantum computers. Our studies focused on emulation of critical processes in natural systems, such as the well-known photosynthetic pigment-protein complexes responsible for capturing and transducing light to electrons. In addition, we implemented proof-of-principle experiments demonstrating that such calculations are possible on trapped-ion quantum computing hardware. These studies and experiments pave the way to investigate energy transport and transduction in a detail not accessible with classical computing technologies. We expect that our studies will allow to extract important guiding principles on how to improve the efficiency of nano-scale light-harvesting and transduction devices.

36 MATERIALS SCIENCE↗

Quantum criticality and topology in non-equilibrium systems

A key goal of condensed matter physics research is to identify new phases of matter, and to understand the universal features of the phase transitions between them. In the past decade, physicists have uncovered a wealth of new phases with interesting surface properties, exemplified by the theoretical prediction and subsequent experimental discovery of topological insulators and superconductors. Traditional condensed matter systems are usually in a thermal equilibrium state and typically at very low temperature. Very recently, experimental advances have sparked interest in the non-equilibrium setting. Non-equilibrium systems can host new phases and phenomena with no equilibrium counterpart, and could also enable robust ways to build quantum memory devices to store and manipulate quantum information in a coherent manner. These phases and phenomena are inherently “dynamical”: they are described not by changes in the arrangement or structure of the constituent particles, but instead marked by sharp distinctions in how the particles move and exchange energy or quantum information. The discovery of robust non-equilibrium phases raises many fundamental questions: Can we develop a systematic theory of states of matter and of dynamical transitions between such states? How can such states be realized and probed experimentally? The main goal of this project was to explore the emergence of topological phases and quantum criticality (two cornerstones of modern condensed matter physics in equilibrium) in such non-equilibrium quantum systems. Specific goals included (1) using tensor networks to efficiently represent non-equilibrium states of matter and their phase transitions; (2) studying and designing new probes for periodically driven systems; and (3) developing analytic and numerical tools to analyze non-equilibrium topological phase transitions. Advances in these directions were achieved using novel techniques appropriate to study the non-equilibrium dynamics in many-body quantum systems combining strong interactions and randomness. Taken together, these results provide a new conceptual framework for understanding the emergence of quantum critical and topological properties in quantum systems far from thermal equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Science &Technology Review (September 2022)

Computer modeling is essential to scientific research. Models simulate natural phenomena to aid scientists in understanding their underlying principles. While the most complex models running on supercomputers may contain millions of lines of code and generate billions of data points, models never simulate reality perfectly. Experiments—in contrast—have been fundamental to the study of natural phenomena from science’s earliest days. However, some of today’s complex experiments generate too much data for the human mind to interpret.

42 ENGINEERING↗

Unraveling Emergent Quantum States in Magnetic Topological Insulators using High Pressure Neutron Scattering

This proposal aims to uncover novel quantum phenomena under high pressure and understand the pressure effects on the atomic electronic interactions in magnetic topological materials. This program supports a combined neutron scattering and materials discovery of novel magnetic materials that display the coexistence of magnetism plus other physical phenomena such as a non-trivial electronic band topology under high pressure. The goal of this project is to close a long-standing knowledge gap in quantum materials research by developing a high-pressure neutron scattering (HP-NS) toolbox to systematically determine the magnetic structures and electronic interactions present at high pressure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Independent Fuel Property Effects of Fuel Volatility on Low Temperature Heat Release and Fuel Autoignition (Final Report)

This Cooperative Research and Development Agreement (CRADA) project between Argonne National Laboratory (ANL), Oak Ridge National Laboratory (ORNL), and Shell Global Solutions (Shell) was initiated as part of a Directed Funding Opportunity (DFO) call for proposals from the Co-Optimization of Fuels and Engines (Co-Optima) initiative. Shell had observed that volatile fuels suppress low temperature heat release (LTHR) more than expected based on conventional gasoline autoignition metrics: research octane number (RON) and motor octane number (MON). The role of LTHR contributes to autoignition phenomena for both boosted spark ignition (BSI) and advanced compression ignition (ACI) combustion modes. ACI combustion modes are applicable to large engines in the hard-to-electrify applications such as off-road, rail, and marine. Thus, having a reliable understanding of autoignition phenomena, including being able to accurately account for the effects of fuel volatility, is particularly important as new synthetic and bio-fuel compositions are considered.This CRADA project aimed to test the hypothesis that the decreased LTHR is due to preferential evaporation of multicomponent fuels when using direct injection (DI) fueling technology, creating composition and reactivity stratification. A custom set of fuels was designed and blended to test this hypothesis by Shell, with experimental engine studies at ORNL and engine combustion modeling by ANL. However, the initial experimental findings did not show the expected effect of fuel volatility suppressing LTHR. Instead, the LTHR propensity observed was independent of the fuel volatility. Due to the unexpected experimental result, the remainder of the experimental effort was redirected to study the effect of fuel volatility on emissions under spark-ignited cold-start conditions. However, as with the LTHR experiments, the cold start effort did not show a meaningful effect of fuel volatility on cold start emissions. Meanwhile, improved engine CFD models have been developed for both LTHR and cold start operations for the Shell fuels with different volatilities. While the simulation efforts were not pursued further due to the insignificant effects of fuel volatility as shown in experiments, the models developed can be easily retooled for off-road, rail, and marine applications.

09 BIOMASS FUELS↗

Particle Theory and Cosmology

This project covered theoretical studies in particle physics, particle astrophysics and cosmology, aiming to bridge theoretical models with observable phenomena. The central focus was on exploring innovative mechanisms that could simultaneously address several outstanding puzzles in these areas, including the nature of dark matter, the muon g-2 anomaly, the existence of topologically stable monopoles, the generation of observable gravitational waves from early universe phenomena and high energy cosmic rays. One of the major achievements of this project was the development of models that predict new physics accessible through current and forthcoming experimental setups, both in particle colliders and astrophysical observations. These models have been instrumental in proposing verifiable predictions concerning supersymmetric extensions, the dynamics of cosmic strings and monopoles, and the intricate processes underpinning baryogenesis and reheating post-inflation. In tackling the dark matter conundrum, the project proposed several candidates within extended frameworks, such as light Z' models, pseudo-Goldstone dark matter, and scenarios integrating dark matter with inflationary cosmology. Each model outlined pathways for detection through direct, indirect, and collider search strategies, marking significant strides in the hunt for dark matter. Another cornerstone of the project was the in-depth analysis of inflationary models compliant with the Trans-Planckian Censorship Conjecture, highlighting the compatibility of axion dark matter within such frameworks. This not only provided a coherent picture of early universe cosmology but also delineated clear experimental signatures. The exploration of grand unified theories yielded insights into the potential discovery of monopoles and novel particle configurations at energy scales accessible to current and future colliders. This endeavor expanded the predictive power of these theories, particularly in the context of proton decay and the properties of Higgs-portal dark matter. Throughout the project, significant emphasis was placed on ensuring the theoretical developments were grounded in experimental testability. This led to a series of publications across prestigious journals, each contributing to the vibrant discourse at the intersection of particle physics and cosmology. In summary, this project has elucidated pathways beyond the Standard Model that are ripe for exploration through both ongoing and upcoming experimental efforts. The comprehensive approach adopted herein not only enhances our understanding of the fundamental forces and constituents of the universe but also propels the field towards new frontiers in high-energy physics and cosmology.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Machine Learning and Data Science to Advance Laboratory Earthquake Prediction and Illuminate the Mechanics of Precursors to Failure

Earthquakes represent one of our greatest natural hazards and in recent years human induced seismicity is adding to the threat. Even a modest improvement in the ability to forecast devastating large earthquakes or smaller shallow events associated with fluid injection could save thousands of lives and billions of dollars. Current efforts to forecast earthquakes are limited by knowledge of earthquake physics and hampered by a lack of reliable lab or field observations. However, recent work has provided a critical opportunity for advancement. We have found: 1) clear and consistent precursors prior to earthquake-like failure in the laboratory and 2) that lab earthquakes can be predicted using machine learning (ML). These works show that stick-slip failure events –the lab equivalent of earthquakes– are preceded by a cascade of micro-failure events that radiate elastic energy in a manner that foretells catastrophic failure. Remarkably, ML predicts the fault zone stress state, the failure time and in some cases the magnitude of lab earthquakes. In addition, the observations include clear precursors to failure in the form of changes in fault zone properties prior to lab earthquakes. Precursors have been observed in previous laboratory studies but their origin is poorly understood and their possible connection to ML based earthquake prediction is unknown. The work conducted under our project has dramatically expanded these efforts. We have developed an integrated data science approach to illuminate the physics of earthquake precursors and lab earthquake prediction. Our work has accelerated the development of ML, artificial intelligence (AI), and related data science approaches by providing massive data sets that are tightly connected to critical scientific problems and by bringing together leading subject matter experts and data scientists. Earthquake physics involves phenomena that are far from equilibrium. Our work has leveraged data science methods to illuminate these phenomena and investigate how they relate to earthquake prediction. In addition to a large database with many types of labeled events that is available to everyone, our work has advanced the fundamental understanding of seismic forecasting, earthquake physics, and fault rheology

58 GEOSCIENCES↗

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

This report represents the milestone deliverable M2SF-23SN010301072 “Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies” The report provides a status update of FY23 activities for the work package Argillite Disposal work packages for the DOE-NE Spent Fuel Waste Form Science and Technology (SFWST) Program. Clay-rich geological media (often referred as shale or argillite) are among the most abundant type of sedimentary rock near the Earth’s surface. Argillaceous rock formations have the following advantageous attributes for deep geological nuclear waste disposal: widespread geologic occurrence, found in stable geologic settings, low permeability, self-sealing properties, low effective diffusion coefficient, high sorption capacity, and have the appropriate depth and thickness to host nuclear waste repository concepts. The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress (through experiment, modeling, and testing) in the study of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in clay/shale/argillaceous rock. International collaboration activities comprising field-scale heater tests, field data monitoring, and laboratory-scale experiments provide key information on changes to the engineered barrier system (EBS) material exposed high thermal loads. Moreover, consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the engineered barrier system (EBS) design concepts. Chemical and structural analyses of sampled bentonite material from laboratory tests at elevated temperatures are key to the characterization of thermal effects affecting bentonite clay barrier performance. The knowledge provided by these experiments is crucial to constrain the extent of sacrificial zones in the EBS design during the thermal period. Thermal, hydrologic, mechanical, and chemical (THMC) data collected from heater tests and laboratory experiments have been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches to assess issues on coupled processes involving porous media flow, transport, geomechanical phenomena, chemical interactions with barrier/geologic materials, and the development of EBS concepts. These lines of knowledge are central to the design of deep geological backfilled repository concepts where temperature plays a key role in the EBS behavior, potential interactions with host rock, and long-term performance in the safety assessment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Post-irradiation examination of legacy high burnup fuel to support safety testing

Safety/transient testing to evaluate performance under off-normal conditions is an essential pillar for both the development of Accident Tolerant Fuels (ATF) and the optimization of fuel operation economics beyond current discharge burnups. Among other factors, the successful interpretation of the transient testing results relies upon the knowledge of the initial conditions of the test, including the characteristics of the fuel system under scrutiny. When testing pre-irradiated material, the assumptions that the fuel and the cladding still have the same properties as in the pre-irradiation stage is obviously wrong and could affect the results of the test. This is particularly true the more burnup accumulates in the fuel rod and irradiation progresses. The knowledge of the initial microstructure of both fuel and cladding allows a clearer interpretation of the subsequent transient testing results, provides validation of the physical phenomena underlying the model predictions and eliminates the uncertainties related to the limited knowledge of the sample status before the test. One example is the phenomenon of fine fragmentation that occurs in Light Water reactor (LWR) fuel. During a Loss of Coolant Accident (LOCA) or Reactivity Initiated Transient (RIA) the fuel can severely fragment. During LOCA, high burnup fuel tend to finely fragment, which has raised safety concerns due to the increased likelihood of dispersal of such small particles once the cladding has burst and due to the increased fission gas release. Therefore, efforts have been devoted to the assessment of a pulverization threshold that could determine the conditions under which fine fragmentation is predominant. However, the lack of information regarding the initial conditions of the fuel, and the connections between those conditions and the pre-transient irradiation history, have hindered the development of a fully mechanistic fragmentation and pulverization criterion. The empirical relationships rely on conservative estimations, due to the lack of information on critical material properties and characteristics. More generally, experimental evidence of the irradiation-induced modifications at microstructural scale are necessary to determine the behavior of the material at the macroscopic scale, with the latter being the one of technological interest. Significant progress has been made in the last two decades in the developments of analytical materials science techniques that can be applied to highly radioactive materials, such as high burnup fuels. The availability of new techniques and the improvement of existing ones has enabled investigations previously not possible that can deepen the understanding of the fuel characteristics and properties at high burnup. The better knowledge of material behavior and irradiation-induced phenomena could help the prediction of its performance. In this context, the scope of the present work is to apply a wide portfolio of advanced characterization techniques to determine properties that are relevant for safety and performance. The results are interpreted in the context of engineering scale post-irradiation examinations and available information on the irradiation conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Compact Bremsstrahlung Diode Development on HERMES-III

Testing of a compact Bremsstrahlung diode at the High Energy Radiation Megavolt Electron Source III (HERMES-III) was performed at Sandia National Laboratories in November, 2023. The compact diode described here is the first prototype diode in a campaign to optimize a Bremsstrahlung diode in terms of size and dose production. The goal was to test the diode at 13MV, and the experiment realized between 10-12MV at the diode. Modeling and simulation of this geometry was performed after the test, shedding insight into several phenomena seen by experimental diagnostics. Modifications to the diode and experiment are proposed for future experiments to help explain the phenomena and approach a better final design.

42 ENGINEERING↗

Performance Limits for Airborne Weather Detection Radar

An aircraft commander needs to be aware of weather phenomena that might be hazardous to his aircraft and mission. An important tool for this is airborne weather (WX) detection radar. The airborne WX radar needs to map weather for the aircraft commander that might be relevant to the safety of the aircraft, which involves both detecting a weather phenomenon, and to some extent seeing through it to detect weather phenomena behind it. Many factors influence the performance of an airborne WX radar

47 OTHER INSTRUMENTATION↗

Nanostructured Alumina Forming Austenitic Alloy (NAFA) Production Using Mechanical Alloying and High-Temperature Consolidation

Alumina-forming austenitic (AFA) alloys are a promising class of nuclear materials because of their high-temperature oxidation/corrosion resistance and mechanical properties. Unfortunately, these alloys are limited in use for core material applications, and they are specifically limited for use as nuclear fuel cladding because of their high Ni-transmutation and helium generation rate in-service. Improving these alloys through a fine dispersion of oxide precipitates and thus increasing the effective irradiation sink strength of the alloy system may mitigate many of the degradation phenomena expected during alloy deployment. These phenomena include high-temperature helium embrittlement and cavity swelling for lead-cooled fast reactor applications. This work effort uses combination of conventional and advanced manufacturing approaches are being used to fabricate nanostructured AFA (NAFA) materials. As the first objective of this initiative, a conventional AFA was modified using mechanical alloying and extrusion to alter the precipitation characteristics to include a fine dispersion of nanoscale oxides intended to serve as traps for irradiation-induced point defects and transmuted He within the lattice. This analysis compared the efficacy of the conventional mechanical alloying and extrusion approach with the unalloyed AFA consolidated approach using hot isostatic pressing (HIP). It was found that, although the mechanical alloying approach is successful in producing a fine distribution of oxides within the first nanostructured AFA (NAFA-1), the distribution is heterogeneous because of the mild milling parameters used to prevent cold welding of powder to the spherical milling media. The additional dispersion of oxides, coupled with a higher volume fraction of other secondary phases in the NAFA-1, produces higher alloy strengths that range up to 600°C in comparison to the unalloyed HIP AFA, thus exceeding the operating temperature of lead-cooled fast reactors. However, the strength of the NAFA-1 is lower than that of the HIP AFA at 800°C, which is presumed to be a function of increased secondary phases from the nonoptimized AFA chemistry. Future work is planned on a newly procured NAFA-2 chemistry that is more suitable for advanced reactor applications exploring new manufacturing routes.

36 MATERIALS SCIENCE↗

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗

Enhanced Models for the Simulation of Two-Phase Boiling Flow and Critical Heat Flux with the STAR-CCM+ and NEK-2P CFD Codes: Executive Summary (Final Report)

The goal of the project was to develop, verify and validate an advanced two-phase boiling flow modeling capability that enhances the existing two-phase flow modeling of the STAR-CCM+ Computational Fluid Dynamics (CFD) code. The project focused on the simulation of two phase flow and heat transfer phenomena that occur in Boiling Water Reactor (BWR) and Pressurized Water Reactor (PWR) fuel bundles under various operating conditions. The extended STAR-CCM+ two-phase flow models implemented during the project follow the approach similar to the Extended Boiling Framework [1-6] previously developed at Argonne but include more fundamental physical models of boiling phenomena. The development and validation of the extended two-phase models is supported by the U.S. DOE GAIN program and performed in collaboration with Framatome U.S. Inc.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗