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DOE OSTI2020

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Data Quality Methodology (4.2.1)

SECARB-USA Deliverable 4.2.1 utilizes the outputs from the Needs Assessment (Subtask 2.1) to develop a data quality methodology. Many types of data are needed to evaluate a site for technical and financial viability. Several inventories of data types have been produced (for example NETL, 2010). The objective here is to organize the data types so that the needs met are specified. From this cross index (Table 1 in the Appendix), it will be possible in future tasks to (1) determine, on a site-specific basis, how much of each data type is required at each stage of a project to meet the need, and conversely (2) to further specify and define the data collection methods applied such that the data are tailored to fit that need. Derivative tables can then be developed to semi-quantitively evaluate the extent to which need is critical for early go/no decision points, or if it is more important than average, requiring faster or larger capitalization and spend to meet the need. In an additional step, the current availability of data for a site can be semi-quantitively assessed. From the table of data criticality and the table of data availability, site-specific cost for meeting the data needs can be determined, and allow a pre-permit spend estimated for a portfolio of projects. All of the data needs to evaluate a site are somewhat interconnected. We used criterion (2) above to determine if the data collection design would have to be modified to meet the need; if this was commonly true a linkage was shown. The application of this cross index to sites in the subsequent tasks will demonstrate that the demand for data types varies site-to-site and project-to-project. Examples of factors to be considered are the complexity of the geology, the injection goals such as rate and duration of the injection, and the types of risk and risk tolerance of key stakeholders. In future tasks the team will compare the demand for data with existing data availability. This will, in turn, determine when data needs to be acquired to support project development. For example, in a project area with complex structure, 3-D seismic data may be needed earlier and more urgently than in an area with simple rock body geometries. In some locations, a 3-D seismic survey has already been collected and can be purchased. In other locations the project developer will need to collect these data. For another example, a project near an urban area or near to a park may generate earlier and more substantive public concern than a site that is developed in mined lands. A calculation using the derivative from table 1 will show the different investment needs. Project cost will vary corresponding to data criticality and data availability.

42 ENGINEERING↗

DOE OSTI2025

Proposed Classifications of Remote Operations for Nuclear Reactors Based on Physical and Cybersecurity Considerations

The incorporation of remote operations into reactor operations is a topic of high interest among advanced and small modular reactor (A/SMR) vendors, with some considering it essential to the success of their business models. However, remote operations are a concept novel to the nuclear industry. While various technical aspects of remote operations have been explored, a significant gap remains in understanding the security implications of integrating remote operations into reactor designs, particularly concerning the security requirements for remote-operations facilities and infrastructure. This report aims to address this gap by first defining classes of remote operation based on the extent of remote access to reactor control systems and grounded in the existing regulatory framework with compatible terminology. Secondly, the report outlines the physical and cybersecurity requirements applicable to remote-operations facilities and infrastructure at each defined class. These requirements are based on existing licensing frameworks provided by 10 Code of Federal Regulations (CFR) Part 50 and 10 CFR Part 52, as well as the upcoming A/SMR licensing framework in the proposed Part 53. The assessment focuses specifically on security regulations, such as 10 CFR Part 73, which includes provisions for both cybersecurity (§ 73.54) and physical security (§ 73.55). This report proposes five classes of remote reactor operations. Class 1 involves remote monitoring only, with no control over reactor systems. Class 2 allows for the remote issuance of allowlisted commands to the reactor facility. Class 3 extends control to non-safety-significant, non-safety-related, or not important to safety systems and equipment. Class 4 permits remote control of safety-significant systems. Finally, Class 5 allows remote control of safety-related systems. It is important to note that these classes were defined purely with functionality in mind, without considering the practicality or feasibility of implementation for each class under current or upcoming regulatory guidance. The intention behind this approach is to enable an assessment of which security requirements apply to each class, allowing readers to evaluate the implementation possibilities for their specific use cases. Following the definition of remote-operation classes, the report assesses the specific physical and cybersecurity requirements applicable to the remote-operations facility and infrastructure within each defined class. This includes defining the types and locations of operators that are possible at each class of operation and, based on operator type and location, as well as functionality within each class, outlining the physical and cybersecurity requirements. By detailing the security requirements by class, the report provides readers with the information needed to determine the type of security program they may need to implement for their desired concept of operation. The next contribution of this report was to assess the practicality of implementing each proposed class of remote operations based upon the security requirement assessment. In short, three of the five proposed remote-operation classes were found to possibly have a practical path forward to implementation under the U.S. regulatory framework. Class 1 remote operations are currently in use in the U.S. while Class 2 and 3 remote operations may be logistically possible to implement under the U.S. regulatory framework. The final two Classes, 4 and 5, would likely be logistically difficult, if not infeasible to implement within the current U.S. physical- and cybersecurity regulatory framework. Given the results of the feasibility assessment, an example architecture is proposed for both Class 2, remote allowlisted commands, and Class 3, remote control of non-safety systems as well as security implication assessments of each architecture. These example implementations are not meant to be prescriptive in terms of how Class 2 or Class 3 remote operations should be deployed; instead, they are intended to be informative to stakeholders on how Class 2 or Class 3 could potentially be applied in order to inform their system design. An example architecture for Class 1 remote monitoring was not provided as Class 1 in already in use in U.S. nuclear operations. Example architectures for Class 4 and Class 5 were not provided due to their assessment of being likely infeasible to implement. The final contribution is an assessment of the physical- and cybersecurity implications of introducing autonomous operations into an A/SMR. What was found was that the security implications can be separated into two cases. Autonomous operations supported by SSCs located only at the reactor site, and autonomous operations supported by SSCs outside of the reactor site. For the first case, the introduction of autonomous systems will likely not change the facility’s requirement to comply with existing cyber and physical security regulation

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Hydropower Infrastructure - LAkes, Reservoirs, and RIvers (HILARRI), v4

HILARRI is a database of links between major datasets of operational hydropower dams and powerplants, and inland water bodies. These connections are critical for conducting large-scale analysis of hydropower infrastructure and their associated natural and engineered water systems. Features include: – Dams from the National Inventory of Dams (2025) and the Global Reservoir and Dam Database (GRanD v1.3) – Hydropower plants from the Existing Hydropower Assets dataset (EHA 2025) – Power plants that are listed in the 2025 U.S. Hydropower Development Pipeline Data or were listed in previous versions of the dataset These hydropower infrastructure features are linked to several major datasets that provide hydrologic and hydraulic information relevant for analysis of hydropower systems that includes the integral water resources. That information comes from: – Products from the National Hydrography Dataset (NHD) – NHDPlusV2 Medium Resolution river network flowlines, – NHD waterbodies (limited to lakes and reservoirs), – NHD Watershed Boundary Dataset (HUC12-level for the Conterminous United States (CONUS)) – NHD High Resolution waterbodies – HydroLAKES water bodies (lakes and reservoirs) – LAGOS-US lakes and reservoirs – EPA National Lakes Assessment (2007, 2012, 2017, and 2022) – The Reservoir Sedimentation Database (RESSED) – EPA SuRGE sampling locations Unique identifiers are used to facilitate joining to the original full datasets. For example, characteristics of NHD flowlines such as estimated average flow rate can be joined from the NHDPlusV2 dataset to a dam or power plant listed in HILARRI based on the ID field, “COMID”, that is common to both datasets. HILARRI only includes basic information about identifiers, location, and data quality or usage notes. It does not contain the attributes or time series data associated with these sites. The HILARRI dataset incorporates information from several datasets to facilitate more effective and accurate analysis of hydropower infrastructure and their associated waterbodies. For example, dams were checked against the most recent American Rivers Dam Removal Database to identify and flag facilities that may no longer exist. Additionally, dams that are listed multiple times in the NID are identified and flagged to avoid double-counting when analyzing and summarizing information. Other quality flags include certainty of operational hydropower (i.e., if one or more datasets indicates hydropower at a particular location), whether an associated water body is accurate or composed of multiple polygons, or whether there is a known issue with reported characteristics in one of the underlying datasets. These additional data flags are designed to increase confidence in data usage for individual to large-scale analyses.

Hansen, Carly [ORNL] (ORCID:0000000193280838)↗

DOE OSTI2023

MESA-Web: A cloud resource for stellar evolution in astronomy curriculum

Here, we present MESA-Web,a cloud resource with an online interface to the Modules for Experiments in Stellar Astrophysics (MESA) software instrument. MESA-Web allows learners to evolve stellar models without the need to download and install MESA. Since being released in 2015, MESA-Web has delivered over 17,000 calculations to over 2,200 unique learners and currently performs about 11 jobs per day. MESA-Web can be used as an educational tool for stars in the classroom or for scientific investigations. We report on new capabilities of MESA-Web introduced since its 2015 release including learner-supplied nuclear reaction rates, custom stopping conditions, and an expanded selection of input parameters. To foster collaboration we have created a Zenodo MESA-Web community hub, where instructors can openly share examples of using MESA-Web in the classroom. We discuss two examples in the current community hub. The first example is a lesson module on Red Giant Branch stars that includes a suite of exercises designed to fit a range of learners and a Jupyter workbook for additional analysis. The second example is lesson materials for an upper-level Astronomy majors course in Stars and Radiation that includes an assignment verifying some of the expected trends that are presented in a popular stellar physics textbook.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Grand unified file indexing

Systems and methods are disclosed for a unified file index for a file system. In one example, a Grand Unified File Index (GUFI) includes a tree replicating the directory hierarchy of one or more primary filesystems, and individual metadata stores for each directory. The GUFI tree permits fast traversal, efficient user space access controls, and simple tree directed operations such as renames, moves, or permission changes. In some examples, the individual metadata stores can be implemented as embedded databases on flash storage for speed. In some examples, use of summary tables at the directory or subtree level can eliminate wasteful executions, prune tree traversal, and further improve performance. In various examples, efficient operation can be achieved from laptop to supercomputer scale, across a wide mix of file distributions and filesystems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Iron-based nanoparticles and grains

Example nanoparticles may include an iron-based core, and a shell. The shell may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example alloy compositions may include an iron-based grain, and a grain boundary. The grain boundary may include a non-magnetic, anti-ferromagnetic, or ferrimagnetic material. Example techniques for forming iron-based core-shell nanoparticles may include depositing a shell on an iron-based core. The depositing may include immersing the iron-based core in a salt composition for a predetermined period of time. The depositing may include milling the iron-based core with a salt composition for a predetermined period of time. Example techniques for treating a composition comprising core-shell nanoparticles may include nitriding the composition.

Wang, Jian-Ping↗

DOE OSTI2022

Hand Calculations for Nuclear Criticality Safety – Primer Revision

The document “ Hand Calculation Methods for Criticality Safety – A Primer, ” was published by the authors (Los Alamos National Laboratory report LA-14244-M) in December 2006 to provide an overview of the most common hand calculation methods used for criticality safety analysis. Hand calculation methods can be used as a starting point for more advanced calculations, and in many circumstances, they can provide sensitivity and perturbation information quicker than using a criticality code, such as KENO or MCNP. This report has been revised to augment existing basis information and example problems for each of the methods discussed: 1-group and modified 1- group diffusion theory, core-density conversions, buckling conversions, limiting surface density method, density analog method, surface density method, and solid angle method. This primer discusses the applicability of the various methods, illustrates how they are used, and provides an interpretation of the example problem results. The example problems provided are simple, practical problems, and the reference data to solve each example problem is provided. This paper will provide an overview of the Primer revision and how it can be useful for new Nuclear Criticality Safety practitioners.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Hand Calculations for Nuclear Criticality Safety — Primer Revision [Abstract]

The document “ Hand Calculation Methods for Criticality Safety –A Primer, ” was published by the authors (Los Alamos National Laboratory report LA-14244-M) in December 2006 to provide an overview of the most common hand calculation methods used for criticality safety analysis. Hand calculation methods can be used as a starting point for more advanced calculations, and in many circumstances, they can provide sensitivity and perturbation information quicker than using a criticality code, such as KENO or MCNP. This report has been revised to augment existing basis information and example problems for each of the methods discussed: 1-group and modified 1-group diffusion theory, core-density conversions, buckling conversions, limiting surface density method, density analog method, surface density method, and solid angle method. This primer discusses the applicability of the various methods, illustrates how they are used, and provides an interpretation of the example problem results. The example problems provided are simple, practical problems, and the reference data to solve each example problem is provided. This paper will provide an overview of the Primer revision and how it can be useful for new Nuclear Criticality Safety practitioners.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2023

Hollow lattice thermal energy storage heat exchanger

Example heat exchangers and methods of use are described herein. An example heat exchanger includes a lattice structure including a plurality of conduits defining a plurality of interstitial voids between the plurality of conduits. Each of the plurality of conduits includes an inlet and an outlet, and the plurality of conduits are arranged such that, between the inlet and the outlet, each of the conduits intersects at least one other conduit to enable flow between the intersecting conduits. The example heat exchanger also includes a first manifold formed unitarily with the lattice structure, the first manifold comprising a first plurality of openings in fluid communication with each inlet of the plurality of conduits. The example heat exchanger further includes a phase change material (PCM) disposed within and substantially filling the plurality of interstitial voids.

Stoia, Michael F.↗

DOE OSTI2023

Iron-based nanoparticles and grains

Wang, Jian-Ping↗

DOE OSTI2020

Designing Flexibility into the Authorized Radioactive Contents of the 9982 Shipping Package

The 9982 radioactive material shipping package, or the 9982, differs from the others by allowing a multitude of radionuclides instead of a single defined set. While allowing flexibility, this requires more justification on why these contents would be worthwhile and why they would not cause various safety hazards when shipped together. The latter was covered through mass limit calculations, and the potential uses for the package are shown through comparison with historical shipments. Here, the mass limits were already calculated[1] and used to show three example shipments are suitable for the 9982 as well. Plutonium stored in 3013 containers[2], training sources shipped in 9977 packages[3], and americium standards shipped in 9978 packages[4] were all analyzed. The mass of each radionuclide and the corresponding mass limit were used to first determine if the listed content could be shipped. If so, the maximum allowed mass of such contents is also calculated in order to see if the 200-gram fissile limit for the 9982 would be violated if additional material was packed. The sum-of-the-fractions method produces contents that do not violate the mass limits or exceed the 200-gram fissile limit. These sets also serve as realistic examples of what may be shipped in the 9982. Well-founded example contents will help the approval of the package by showing its compatibility with previously shipped material. Unfounded hypothetical contents would not show the usefulness of having a wide variety of allowed radionuclides. More contents may be developed in order to incorporate other radionuclides that were not present in these three examples. The light elements will also need to be evaluated due to their exclusion currently preventing some materials from being allowed in the 9982.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

IDAES-PSE 2.3.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications.. New Features and Models • New diagnostics toolboxes and examples o Tutorial for using the DiagnosticsToolbox o Methods to identify potential evaluation errors in models o SVDToolbox for performing singular value decomposition analysis on models to identify possible degeneracies and poor scaling o DegeneracyHunter for identifying irreducible degenerate sets in models • Model for solid-liquid separation which takes two inputs (solid and liquid streams) and produces three outlets (solids, liquid entrained with solids and pure liquid) • Example of temperature swing adsorption in models_extra Deprecation Warnings • With the update to Pyomo 6.7.0, the plate heat exchanger model has begun failing tests on some CI platforms. If this is not addressed by the February release, this model may be removed due to failing tests. See #1294. Offers to help identify the cause and fix this issue are welcome. Improvements and bug fixes • Fixed oversight which precluded using Mixer and Separator models when inherent reactions were present in property package • Added reporting methods to the MSContactor model • Minor corrections in some examples where values were being fixed outside of declared variable bounds

DiagnosticsToolbox,IDAES,PSE,Process Systems Engin↗

DOE OSTI2021

State changes: insights from the U.S. Long Term Ecological Research Network

Understanding the complex and unpredictable ways ecosystems are changing and predicting the state of ecosystems and the services they will provide in the future requires coordinated, long-term research. This paper is a product of a U.S. National Science Foundation funded Long Term Ecological Research (LTER)network synthesis effort that addressed anticipated changes in future populations and communities. Each LTER site described what their site would look like in50 or 100 yr based on long-term patterns and responses to global change drivers in each ecosystem. Common themes emerged and predictions were grouped into state change, connectivity, resilience, time lags, and cascading effects. Here, we report on the “state change” theme, which includes examples from the Georgia Coastal (coastal marsh), Konza Prairie (mesic grassland), Luquillo(tropical forest), Sevilleta (arid grassland), and Virginia Coastal (coastal grassland) sites. Ecological thresholds(the point at which small changes in an environmental driver can produce an abrupt and persistent state change in an ecosystem quality, property, or phenomenon) were most commonly predicted. For example, in coastal ecosystems, sea-level rise and climate change could convert salt marsh to mangroves and coastal barrier dunes to shrub thicket. Reduced fire frequency has converted grassland to shrubland in mesic prairie, whereas overgrazing combined with drought drive shrub encroachment in arid grasslands. Lastly, tropical cloud forests are susceptible to climate-induced changes in cloud base altitude leading to shifts in species distributions. Overall, these examples reveal that state change is a likely outcome of global environmental change across adverse range of ecosystems and highlight the need for long-term studies to sort out the causes and consequences of state change. The diversity of sites within the LTER network facilitates the emergence of overarching concepts about state changes as an important driver of ecosystem structure, function, services, and futures.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Interfacial Effects on the Dielectric Properties of Elastomer Composites and Nanocomposites

Elastomer-based composites and nanocomposites are discussed, with the emphasis on the filler and interfacial effects on their dynamics, and the resulting manifestation in their macroscopic dielectric or mechanical response. Specifically, selected polydimethylsiloxane (PDMS)/barium-titanate and styrene-butadiene rubber (SBR)/graphene oxide nanocomposites are discussed, as examples where controlled spatial distribution of filler (structured composites) gives rise to significantly different dielectric and thermomechanical behaviors. Also, ethylene–propylene–diene (EPDM)/carbon black (CB) composites are presented, as examples of systems that exhibit an abnormal temperature dependence of dielectric relaxation; and this response is discussed in the context of CB cluster polarization and quantified through a simple scaling model of the same. Finally, multi-filler EPDM/CB/ceramic elastomer nanocomposites are discussed, as examples of systems with antagonistic interfacial effects between conductive and dielectric fillers, as well as with strong interphase responses that can overwhelm the dielectric contributions from the fillers; in these systems, interphasial responses result in counter-intuitive dielectric behaviors and in strong deviations from standard design principles typically employed in the design of dielectric composite systems.

Li, Bo↗

DOE OSTI2023

Isometries and the double copy

In the standard derivation of the Kerr-Schild double copy, the geodicity of the Kerr-Schild vector and the stationarity of the spacetime are presented as assumptions that are necessary for the single copy to satisfy Maxwell’s equations. However, it is well known that the vacuum Einstein equations imply that the Kerr-Schild vector is geodesic and shear-free, and that the spacetime possesses a distinguished vector field that is simultaneously a Killing vector of the full spacetime and the flat background, but need not be timelike with respect to the background metric. We show that the gauge field obtained by contracting this distinguished Killing vector with the Kerr-Schild graviton solves the vacuum Maxwell equations, and that this definition of the Kerr-Schild double copy implies the Weyl double copy when the spacetime is Petrov type D. When the Killing vector is taken to be timelike with respect to the background metric, we recover the familiar Kerr-Schild double copy, but the prescription is well defined for any vacuum Kerr-Schild spacetime and we present new examples where the Killing vector is null or spacelike. While most examples of physical interest are type D, vacuum Kerr-Schild spacetimes are generically of Petrov type II. We present a straightforward example of such a spacetime and study its double copy structure. Our results apply to real Lorentzian spacetimes as well as complex spacetimes and real spacetimes with Kleinian signature, and provide a simple correspondence between real and self-dual vacuum Kerr-Schild spacetimes. This correspondence allows us to study the double copy structure of a self-dual analog of the Kerr spacetime. We provide evidence that this spacetime may be diffeomorphic to the self-dual Taub-NUT solution.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Stringy ER = EPR

The ER = EPR correspondence relates a superposition of entangled, disconnected spacetimes to a connected spacetime with an Einstein-Rosen bridge. We construct examples in which both sides may be described by weakly-coupled string theory. The relation between them is given by a Lorentzian continuation of the FZZ duality of the two-dimensional Euclidean black hole CFT in one example, and in another example by continuation of a similar duality that we propose for the asymptotic Euclidean AdS 3 black hole. This gives a microscopic understanding of ER = EPR: one has a worldsheet duality between string theory in a connected, eternal black hole, and in a superposition of disconnected geometries in an entangled state. The disconnected description includes a condensate of entangled folded strings emanating from a strong-coupling region in place of a bifurcation point. Our construction relies on a Lorentzian interpretation of Euclidean time winding operators via angular quantization, as well as some lesser known worldsheet string theories, such as perturbation theory around a thermofield-double state, which we define using Schwinger-Keldysh contours in target space.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Strings in Ramond-Ramond backgrounds from the Neveu-Schwarz-Ramond formalism

We treat RR flux backgrounds of type II string theory in the framework of closed superstring field theory based on the NSR formalism, focusing on two examples: (1) the pp-wave background supported by 5-form flux, and (2) AdS 3 × S 3 × M 4 supported by mixed 3-form fluxes. In both cases, we analyze the classical string field solution perturbatively, and compute the correction to the dispersion relation of string states to quadratic order in the RR flux. In the first example, our result is in a delicate way consistent with that obtained from lightcone quantization of the Green-Schwarz string. In the second example, we will obtain numerically the mass corrections to pulsating type IIB strings in AdS 3 × S 3 × M 4 . Our results, valid at finite AdS radius, agree with previously known answers in the semiclassical limit and in the BMN limit respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Coupled Thermo-Hydro-Mechanical Processes in Fractured Rocks: Some Past Scientific Highlights and Future Research Directions

Abstract Coupled thermo-hydro-mechanical (THM) processes in fractured rocks have been a topic of intense scientific research for more than 30 years. The present paper takes a look into the past and highlights some scientific advances which are of an unusual “out-of-the-box” nature, and then looks forward and discusses possible directions of future research in this interesting field of study. Concerning future research directions, we see a trend from a focus on coupled THM processes in single fractures or a few interacting fractures, to the study of coupled THM behavior in complex fracture network systems where the fractures act collectively giving rise to local stress concentration points and points of large pressure gradients. Three examples of future research directions are presented. First is an effort towards identifying characterizing parameters of a fracture network that play a direct controlling role in major coupled THM phenomena (such as induced seismicity and flow channeling), rather than parameters of stochastic distributions of fractures in the network. The second example of research direction is accounting for the heterogeneity and hierarchy of fractures in a fault or fracture zone which has been associated with major THM events in a number of geo-energy projects. The third example is at the opposite end of the first; here it is recognized that in some cases, the coupled THM processes in fractured rocks may be controlled dominantly by only a few key bridges. Identification, characterization, and evaluation of these key bridges should be one of the important research directions in the coming days.

58 GEOSCIENCES↗