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The CYBER security – Competency Health and Maturity Progression (CYBER-CHAMP) model: Extending the National Initiative for Cybersecurity Education (NICE) Framework Across Organizational Security

Problem Statement: There is a pervasive talent deficit in the cybersecurity industry that prevents employers from being able to fill their open positions efficiently. A holistic approach to security is required to ensure organizations have adequate prevention and response capabilities in case of a cyberattack. Specifically, industrial control systems (ICS’s) and their operational technology (OT) components have become a constant target for cyberattacks. Research Questions: It is proposed that the NICE Framework should be extended in the following areas: 1) Include guidance regarding the job roles and competencies for both IT and OT professionals. 2) Offer step-by-step solutions, based on the work role mappings from the NICE Framework, to increase cybersecurity through employee training and education. 3) Provide a streamlined, lifecycle approach to building a cybersecurity program. Contribution: The CYBER security – Competency Health and Maturity Progression (CYBER-CHAMP©) model provides a customized solution for businesses to understand their education gaps in organizational security and target areas for improvement. Rationale: The Framework for Improving Critical Infrastructure Cybersecurity v1.1 addresses ICS but does not offer a measurement of cybersecurity maturity or clear methods to ascertain an organization’s current risk profile. In Phases 1 and 5 of the model, measurements are provided to help an organization build their current and target risk profiles. The NICE framework provides a structure for planning an IT cybersecurity workforce, but the OT aspects of cybersecurity are only briefly discussed. The model uses Phases 2-3 to examine the competencies of an organization’s workforce, which includes both IT and OT roles. Current frameworks do not offer next steps to increase an organization’s cybersecurity. During Phase 4, employees’ roles are mapped to training, education, and/or certifications from common vendors. Investigative Approach: The model provides measurements and metrics for both an organization’s status and continual improvement. This improvement methodology includes guidance for creating an overall strategic plan for security improvement via products designed to increase an organization’s operational readiness through workforce competency health. Lessons Learned: Depending on who was participating, there were contradicting answers given in Phase 1 due to different security cultures in the organization. This revelation has influenced the steps listed in the User’s Guide, where Phase 1’s first recommended step is to assemble a team that champions the facilitation and implementation of the model in the organization. During Phase 2, the discovery was made that organizations may be missing roles that are necessary to perform critical cybersecurity functions. By understanding the functional roles and competencies needed, they can contract or hire cybersecurity help to fill these gaps. Implications: Using the model, organizations can discuss quantitative measures for improvement as a business case for advancing their security program. Future research can validate and extend the present theory and model to a variety of environments. It is of interest to investigate additional security roles and knowledge domains that are used to build standardized cybersecurity curriculum.

97 MATHEMATICS AND COMPUTING↗

Y-12 NATIONAL SECURITY COMPLEX LEU-MO FEEDSTOCK FABRICATION UPDATE

The Y-12 National Security Complex (Y-12) participates in the fuel fabrication pillar of lhe National Nuclear Security Administration's (NNSA's) Office of Material Minimization and Management (M3) Office of Conversion Pillar. Y-12's primary responsibility is to establish a reliable fabrication process of low-enriched uranium-molybdenum (LEU-Mo) feedstock tor United States High Performance Research Reactors (US HPRRs). This update compares US HPRR LEU-Mo feedstock fabrication ettorts over the past several casting campaigns at Y-12 which vary in process methodologies and fabrication parameters. With recent changes to the latest feedstock casting campaign, Process Design Standard-2 (PD-STD-2). Y-12 has seen a significant decrease in isotopic uranium variability of the fuel feedstock fabricated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Integration of Safety, Security, and Safeguards During Design and Operations: A Technical Assessment and Regulatory Considerations for Advanced Reactor and Advanced Fuel Fabrication Facilities

This report presents the current state of knowledge, technology, methodologies, and tools that could be implemented to realize the robust integration of safety, security, and safeguards (3S) for advanced nuclear reactors (ARs) and advanced nuclear fuel cycle facilities. This report was motivated by the global development of ARs which are expected to play a key role in meeting domestic energy and climate objectives. Domestically, with many ARs in the early design phase, the integration of 3S provides an opportunity to achieve risk reduction while using less resources than traditional light water reactors by leveraging interdependencies and synergies between each domain. In addition, domestic policy considerations encourage the convergence of each 3S domain through facility design and operations. Therefore, there is a need to better understand the interdependencies and integration between 3S across ARs and advanced reactor fuel cycle facilities’ lifecycles including design, construction, and operational phases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Building Artificial Layered Solids from the Bottom-up: Materials by Design to Enable New Energy Technologies

This final technical report summarizes the key accomplishments on this DOE Early Career Program award received by PI Guihua Yu at the University of Texas at Austin. The main goal of this ECP award was to develop synthetic methodologies, self-assembly approaches towards structurally controlled nanosheets-like solids from the bottom up, and to understand and characterize their chemical/physical characteristics for the design of future-generation energy devices with novel functions and properties, that will have direct implications for energy science and technologies such as energy storage and conversion, and catalysis. The project accomplished these goals by completing the following objectives: • Rational design, synthesis, and self-assembly of structurally-controlled molecular ‘nanosheets’ materials. Moving beyond conventional van der Waals two-dimensional crystals, this project enables new synthesis and processing strategies to develop ultrathin nanosheets materials, from inorganic transition-metal oxides-based, to hybrid organic-inorganic nanomaterials, with structural factors such as facet, thickness and pore structure being well controlled during synthesis or assembly processes. • Fundamental understanding and electrochemical characterization of these assembled molecular ‘nanosheets’ materials via charge/mass transport studies through electrochemical intercalation of different metal ions for next-generation energy storage, as well as electrocatalytic studies using this new material platform for understanding catalytic reaction kinetics and the roles of surface functionalization and interface interactions owing to atomic thickness, nanoscale porosity, and other structural factors.

36 MATERIALS SCIENCE↗

Unique safety features and licensing requirements of the NuScale small modular reactor

Small modular reactors (SMR) offer a novel approach to the construction and operation of nuclear power plants. The NuScale VOYGR™ plant uses a simplified SMR design that is based on proven light-water reactor technology with substantial improvements in nuclear safety. It consists of a 250 MWt reactor core housed with other primary system components in an integral reactor pressure vessel surrounded by a steel containment vessel, all of which is immersed in a large pool of water that also serves as the ultimate heat sink. At the core of the NuScale safety case are three primary safety systems: the decay heat removal system, the emergency core cooling system, and the containment. The ability of the NuScale Power Module (NPM) passive safety systems to remove core decay heat for an unlimited duration is demonstrated through analysis of a beyond-design-basis extended loss of AC power with no replenishment of water to the ultimate heat sink or operator actions. The NuScale methodology to evaluate an indefinite loss of AC power uses the proprietary NRELAP5 systems analysis computer code. Analysis results show that the reactor coolant system liquid level above the core is maintained and that containment pressure remains below the vessel design pressure. Once full passive air cooling is established, containment pressure and temperature will decrease over time with decreasing core decay heat. NuScale received standard design approval in September 2020 and design certification in January 2023 for its 50 MWe NPM configured as a 12 module plant. NuScale is currently seeking standard design approval to increase its core power to 250 MWt, nominally 77 MWe per module, in a 6-module plant (VOYGR™-6) configuration. The high-level safety of NuScale’s SMR technology is foundational to a new standard of nuclear power plant resilience.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

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↗

Predictive design of novel nickel-based superalloys beyond Haynes 282

Nickel-based superalloys are in great demand for harsh-service conditions involving high temperatures and oxidative environments. Haynes 282 stands out due to its excellent high-temperature properties and easy fabricability. However, the upper operation temperature of Haynes 282 is limited due to its relatively low liquidus temperature. Equipped with high-fidelity density-functional theory calculations and high-throughput experimentation methodology, we explored new compositional spaces that exhibit higher liquidus temperature and higher strength. While maintaining the manufacturability, the newly designed alloy shows improved strength and ductility at room temperature and better oxidation resistance up to 800°C. Here, the new compositions showcase a minor change in the refractory and metalloid content can significantly impact the mechanical and oxidation performance of superalloys.

36 MATERIALS SCIENCE↗

REGULATORY TESTING AND 3D SCANNING METHODOLOGY OF THE DPP-1 TYPE SHIPPING CONTAINER FOR NCT AND HAC TESTS

The safe transportation of radioactive material using appropriately designed and certified transportation packages is important to protect the public and environment. In the United States of America all transportation of radioactive material is regulated by the Department of Transportation (DOT) along with input by the Nuclear Regulatory Commission (NRC). All packages that contain radioactive material requires that it be transported and regulated by the requirements set by the DOT Class 7 hazardous material transportation. Federal regulations place strict administrative controls on the transport of radioactive materials. The two main goals for transporting radioactive materials are 1. Safety should be the primarily focused on the package because it is the first line of defense. 2. Package integrity should be directly related to the degree of the hazard of the radioactive material contents. The two-part goal ensures that the right package is used. Type B packages are designed to transport radioactive materials with the highest level of radioactivity. Examples of material transported in Type B packagings include spent nuclear fuel, high-level radioactive waste, and high concentrations of other radioactive materials. The purpose of this test protocol is to determine the effects of drop and thermal testing on package performance in a Type B shipping package (DPP-1). Required physical tests for the DPP-1 package include free drop, crush, puncture, penetration, compression, vibration, water spray, water immersion, and thermal. The preparation, regulatory testing, and post-test evaluation of a Type B shipping package tested to the 10 CFR 71.71 and 10 CFR 71.73 requirements will be presented. Six packages were tested and the responses when subjected to the HAC sequence of free drop, puncture, and thermal tests according to 10 CFR 71.73(c)(1), (c)(2), (c)(3) and (c)(4) were measured. The Free Drop, Crush and Puncture tests were performed at the NTRC in Knoxville, TN, and the Thermal tests were performed Southwest Research Institute in San Antonio, TX. The test units were subjected to a pre-operational leak testing before the NCT and HAC tests and a post-operational leak test and a helium leak test once regulatory testing was complete. Finally, all test units were scanned with a handheld blue light scanner to capture a 3D CAD geometry of the test units in the deformed shape. The handheld scanner provided the most effective and reliable way to acquire accurate 3D measurements of the test unit. The scanned geometry was sectioned in areas with deformation and the cross-section profile was measured to determine accurate and repeatable results of the deformed shape of the test units.

Martinez, Oscar↗

Analysis and Optimization of a Novel Hexagonal Waveguide Concentrator for Solar Thermal Applications

This paper analyzes a novel, cost-effective planar waveguide solar concentrator design that is inspired by cellular hexagonal structures in nature with the benefits of facile installation and low operation and maintenance cost. A coupled thermal and optical analysis of solar irradiation through an ideal hexagonal waveguide concentrator integrated with a linear receiver is presented, along with a cost analysis methodology, to establish the upper limit of performance. The techno-economic model, coupled with numerical optimization, is used to determine designs that maximized power density and minimized the cost of heat in the temperature range of 100–250 °C, which constitutes more than half of the industrial process heat demand. Depending on the incident solar irradiation and the application temperature, the cost of heat for the optimal design configuration ranged between 0.1–0.27 $/W and 0.075–0.18 $/W for waveguide made of ZK7 glass and polycarbonate, respectively. A techno-economic analysis showed the potential of the technology to achieve cost as low as 80 $/m2 and 61 $/m2 for waveguide made of ZK7 glass and polycarbonate material, respectively, which is less than half the cost of state-of-the-art parabolic trough concentrators. Overall, the hexagonal waveguide solar concentrator technology shows immense potential for decarbonizing the industrial process heat and thermal desalination sectors.

14 SOLAR ENERGY↗

An Energy Codes Gap Analysis Field Study in the Southwest (Final Technical Report)

The primary goal of the “An Energy Codes Gap Analysis Field Study in the Southwest” project was to improve housing through strengthened building energy code implementation in two states, Colorado and Nevada, leading to greater energy and utility bill savings for households. Colorado is a home rule state. Nevada adopts a statewide code, but cities and counties must also adopt the code, making the state function like a home rule state. To broaden the impact of the project, an additional goal was to share and amplify project experiences, findings, and lessons that can be applied in other states. To achieve these goals, the project’s key objectives were to examine how residential energy codes are implemented in partner states; to use these findings to strengthen codes implementation through enhanced education, training, and outreach; and to enhance energy code technical assistance capabilities in the two partner states. In both partner states, the project led to the creation of a quantitative baseline understanding of compliance with high-impact energy code requirements, such as foundation, wall, and ceiling R-value; window U-factor and SHGC; envelope air tightness; duct tightness; and high-efficiency lighting. It then applied this baseline information to directly inform training in geographic areas with high levels of building and construction activity. The project has placed Colorado and Nevada among 23 states across the country that have conducted a single-family residential field study based on the established U.S. Department of Energy (DOE) methodology since 2014. It has also helped each State Energy Office test models for partnership- and relationship-building among government agencies and key stakeholder groups, including the State Energy Office and relevant code administration and professional licensing agencies, building officials, designers, builders, trades and utilities. At the national level, the project helped educate and inform State and Territory Energy Offices on a replicable methodology to assess energy code construction practices, effective stakeholder engagement strategies, and tailored energy code education and training. These findings are particularly pertinent for home-rule states, such as Colorado and Nevada, which rely on local government awareness and action to advance and implement building energy codes. By raising awareness of code adoption and compliance, this project has helped to equip each partner state with data on code compliance, strategies, education, and partnership models to advance building energy codes. This in turn will have an important impact on new construction practices in Colorado and Nevada, leading to more energy efficient and affordable housing. Currently, more than 62 percent of Colorado’s population lives in one of the 55 jurisdictions that have adopted the 2021 IECC to date, while nearly 95 percent of the state's population lives in one of the 208 jurisdictions that have adopted a code at 2015 IECC levels or higher. In Nevada, the 2018 IECC was adopted by the Governor’s Office of Energy in July 2018. By July 2020, 47 percent of the adopted energy code in the state was 2018 IECC which covers 96.5 percent of Nevada’s population. The training materials funded by this project focus on the 2021 IECC and will continue to be relevant in the two states as additional jurisdictions update their building energy codes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Linking Perfluorosulfonic Acid Ionomer Chemistry and High-Current Density Performance in Fuel-Cell Electrodes

Transport phenomena are key in controlling the performance of electrochemical energy-conversion technologies and can be highly complex, involving multiple length scales and materials/phases. Material designs optimized for one reactant species transport however may inhibit other transport processes. We explore such trade-offs in the context of polymer-electrolyte fuel-cell electrodes, where ionomer thin films provide the necessary proton conductivity but retard oxygen transport to the Pt reaction site and cause interfacial resistance due to sulfonate/Pt interactions. We examine the electrode overall gas-transport resistance and its components as a function of ionomer content and chemistry. Low-equivalent-weight ionomers allow better dissolved-gas and proton transport due to greater water uptake and low crystallinity but also cause significant interfacial resistance due to the high density of sulfonic acid groups. These effects of equivalent weight are also observed via in situ ionic conductivity and CO displacement measurements. Of critical importance, the results are supported by ex situ ellipsometry and X-ray scattering of model thin-film systems, thereby providing direct linkages and applicability of model studies to probe complex heterogeneous structures. Structural and resultant performance changes in the electrode are shown to occur above a threshold sulfonic-group loading, highlighting the significance of ink-based interactions. Furthermore, our findings and methodologies are applicable to a variety of solid-state energy-conversion devices and material designs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Comparison of Generation of Higher-Order Neutron Scattering Cross Sections

The generation of high-order neutron scattering cross sections consistent with high-fidelity simulations remains an area of active research. Popular options include generating cross sections from continuous energy Monte Carlo calculations or generating cross sections from a deterministic neutron transport calculation with high-fidelity tabulated cross sections. Both options present challenges. Monte Carlo simulations can naturally process continuous energy cross section data and allow for the general description of anisotropic neutron scattering given a scattering law. However, Monte Carlo simulations are inherently related to particle weighting and it has been suggested that this may be unacceptable for generating high-order neutron scattering cross sections. Deterministic neutron transport calculations can easily calculate high-order moments of the flux to appropriately calculate higher-order neutron scattering cross sections but are generally limited by discretization of space, energy, and angle. In this work, the trade-offs between generation of high-order neutron scattering cross sections via Monte Carlo and deterministic neutron transport methods are investigated. The methods implemented in the Monte Carlo computer program Serpent and the deterministic fast reactor neutron cross section generator MC2-3 are compared. Cross sections resulting from these methods are used in Rattlesnake, a deterministic neutron transport code developed by Idaho National Laboratory (INL), and results are compared to a reference continuous energy Monte Carlo calculation. Whereas previous work investigating the effects of anisotropic neutron scattering has focused on light water reactor (LWR) simulations, this work focuses on high-order neutron scattering cross sections as they relate to fast reactor simulations. To investigate the consequences of the Serpent and MC2-3 methodologies, a test problem is developed. The test problem is a one-dimensional geometry with fast reactor materials designed to demonstrate deep penetration and exacerbate the effects of high-order neutron scattering. Based on the results of the deep penetration test problem, it is concluded that P3 neutron scattering cross sections are sufficient to describe anisotropic scattering in fast reactor materials. Any neutron scattering of order higher than P3 offers negligible change in the eigenvalue of the test problem. Additionally, it is determined that the methodology as implemented in Serpent is applicable for generating high-order neutron scattering cross sections through at least P3 in fast reactor materials.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Issue Summary of INL Phase IV Transient Results for IAEA CRP on HTGR UAM Benchmark

This report details the Parallel and Highly Innovative Simulation for Idaho National Laboratory (INL) Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the transient core exercises defined for Phase IV of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase III models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the Uncertainty/Sensitivity Assessment (U/SA) of the prismatic modular high-temperature gas cooled reactor (MHTGR)-350 design, and specifically for Exercises IV-1 and IV-2 of the benchmark: the Control Rod Withdrawal (CRW) and Pressurised Loss of Cooling (PLOFC) events. The statistical U/SA methodology is implemented and demonstrated using the RAVEN code, based on perturbed cross-section libraries obtained from the SCALE/Sampler sequence. Uncertainties in nuclear data (cross-sections and the average number of neutrons produced per fission, 235U[¯v ]) lead to standard deviations (uncertainties of one s) of approximately 0.5% in the core eigenvalues of the MHTGR-350 and core models. For the coupled neutronics/thermal fluid model, local power density uncertainties up to 3.6% were observed in the colder regions of the core, while the local maximum fuel temperature uncertainties reached 1.5% for the models that included thermal fluid uncertainties. The addition of thermal fluid uncertainties dominated the impacts of nuclear data uncertainties in all cases. The main contributors to uncertainties in the power density and fuel temperatures during the transients were uncertainties in the reactor operating conditions (total power, inlet mass flow rate and inlet gas temperature). Variations in the bypass flows did not have significant impact on any of the output variables. For the nuclear data uncertainties it was found that the 235U(¯v ) / 235U(¯v ) covariance produced the largest sensitivities in terms of its impact on the eigenvalue and peak reactor power. It was also observed that the impact of any nuclear data uncertainties on the maximum fuel temperature was much less significant that the impact on eigenvalue and power. Another important finding was that although the use of eight or more energy groups is recommended for best-estimate HTGR simulation, two-group models produced acceptable uncertainty and sensitivity results for most FOMs. Since the statistical U/SA methodology is computationally expensive, and most transient solver requirements will scale directly with the number of energy groups, two energy groups could be used by HTGR developers during the early stages of design when larger uncertainty margins can be tolerated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Koopman-Based Approach to Nonintrusive Reduced Order Modeling: Application to Aerodynamic Shape Optimization and Uncertainty Propagation

A methodology for nonintrusive projection-based nonlinear model reduction originally presented by Renganathan et al. is further extended here toward parametric systems with a focus on application to aerospace design. Specifically, the method is extended to address static systems with parametric geometry (that deforms the mesh) in addition to parametric freestream boundary conditions. The main idea is to first perform a transformation on the governing equations such that it is lifted to a higher-dimensional but linear underdetermined system. This enables one to extract the system matrices easily as compared to that of the original nonlinear system. The underdetermined system is closed with a set of model-dependent nonlinear constraints upon which the model reduction is finally performed. The methodology is validated on the subsonic and transonic inviscid flows past the NACA0012 and the RAE2822 airfoils with parametrized shapes. The utility of the approach is further demonstrated by applying it to two common problems in aerospace design, namely, derivative-free global optimization and parametric uncertainty quantification with Monte Carlo sampling. Overall, the methodology is shown to achieve accuracy up to 5% and computational speedup of two to three orders of magnitude relative to the full order model. Comparison against another nonintrusive model reduction method revealed that the proposed approach is more robust, accurate, and retains the consistency between the state variables.

97 MATHEMATICS AND COMPUTING↗

Uncertainty amplification due to density/refractive index gradients in background-oriented schlieren experiments

Here, we theoretically analyze the effect of density/refractive index gradients on the measurement precision of background-oriented schlieren (BOS) experiments by deriving the Cramer–Rao lower bound (CRLB) for the 2D centroid estimation process. A model is derived for the diffraction limited image of a dot viewed through a medium containing density gradients that includes the effect of the experimental parameters such as the magnification and f-number. It is shown using the model that nonlinearities in the density gradient field lead to blurring of the dot image. This blurring amplifies the effect of image noise on the centroid estimation process, leading to an increase in the CRLB and a decrease in the measurement precision. The ratio of position uncertainties of a dot in the reference and gradient images is shown to be a function of the ratio of the dot diameters and dot intensities. We termed this parameter the amplification ratio (A F ), and a methodology for reporting position uncertainties in tracking-based BOS measurements is proposed. The theoretical predictions of the dot position estimation variance from the CRLB are compared to ray tracing simulations, and agreement is obtained. The uncertainty amplification is also demonstrated on experimental BOS images of flow induced by a spark discharge, where it is seen that regions of high amplification ratio correspond to regions of density gradients. This analysis elucidates the dependence of the position uncertainty on density and refractive index gradient-induced distortion parameters, provides a methodology for accounting its effect on uncertainty quantification and provides a framework for optimizing experiment design.

42 ENGINEERING↗

Identifying Disadvantaged Communities in the United States: An Energy-Oriented Mapping Tool that Aggregates Environmental and Socioeconomic Burdens

This paper defines a policy-relevant nationwide composite index to identify communities disproportionately impacted by environmental, energy, and climate injustices in the United States. We review existing vulnerability indicators and indices to assess the tradeoffs of different design parameters, including variable selection, geographic unit, dimensionality reduction, weighting, and aggregation methods. From this methodological review, we create the first nationwide, census tract-level index of cumulative burden that includes energy-relevant indicators alongside climate, social, environmental, and economic indicators, and is flexible to the inclusion of additional data sources. We provide a summary of the sources of inputs used to develop a definition for "disadvantaged communities" that can be used to prioritize energy investments. We discuss use-cases for this index including the implementation of the Justice40 Initiative, which calls for 40% of certain federal clean energy benefits to flow to disadvantaged communities in the United States. We use our results to examine historic allocations of federal energy investments and show that communities that we identify as disadvantaged received about 37% fewer funds per capita than non-disadvantaged communities.

cumulative burden↗

Multiscale study of helium diffusion in Ni-Cr alloys: Short-range trapping versus long-range channeling

Ni-Cr alloys are widely employed as structural materials in fast nuclear reactors but are vulnerable to high-temperature helium (He) embrittlement (HTHE) under fast neutron irradiation. A comprehensive understanding of He diffusion in Ni-Cr alloys, which governs the kinetics of HTHE, is therefore essential for developing resilient materials and preventing failure. In this work, we reveal the underlying mechanisms of He diffusion in pure Ni and Ni-Cr alloys by integrating density functional theory (DFT) with atomic kinetic Monte Carlo (AKMC) simulations. Our findings uncover a non-monotonic dependence of He diffusivity on Cr concentration, contradicting the monotonic trends predicted by DFT-parameterized theories. At low Cr concentrations, He diffusion is dominated by short-range trapping, characterized by multiple trapping sites and a distinct mechanism within the first nearest neighbor of Cr, differing from that in pure Ni. At high Cr concentrations, these local traps become interconnected, forming long-range fast diffusion channels that enhance He mobility. The competition between localized trapping and extended channeling results in a diffusivity that first decreases, then increases with rising Cr content. These atomic-scale insights offer critical guidance for the design of radiation-tolerant Ni-based alloys. Moreover, the combined DFT-AKMC methodology and the concept of random walker diffusion through interconnected energy basins present a broadly applicable framework for studying transport phenomena in disordered systems.

36 - MATERIALS SCIENCE↗

Guidelines for Phase Change Material Selection Based on a Holistic System Model

Concentrating solar power (CSP) has potential to increase the amount of renewable energy on electric grids and reduce global carbon emissions, in particular because of its capability to incorporate inexpensive thermal energy storage. To realize this potential, development of latent heat storage with phase change materials (PCMs) is attractive because of its high energy density and low material cost. Research in this area has identified many promising materials, and has developed effective storage system designs that could be used to deploy PCMs. However, the field has lacked a rigorous methodology to select the optimal material for a particular CSP system. To address this need, here we present a holistic model that evaluates all important influences of PCM properties on the performance and cost of an entire CSP plant. We apply this model to over 100 of the most widely considered candidate materials, including both salts and metals. We quantify the relative value of each PCM property, and identify leading materials for application in CSP systems. This method and our results may aid future efforts to develop latent heat storage by providing a more informed view of how material selection impacts an entire CSP system.

14 SOLAR ENERGY↗