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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Wavelength selective transfer of optical energy

An all fiber wavelength selective coupler provides wavelength selective transfer of optical energy between two or more separated waveguides. The coupler includes signal cores that are separated enough that they can be fusion spliced to standard fibers as lead-in and lead-out pigtails. A bridge between the signal cores facilitates transfer of the optical energy through a process of evanescent coupling. In one example, the bridge is formed of a series of graded index cores.

Allen, Graham S.↗
DOE OSTI2023

HEPnOS: a Specialized Data Service for High Energy Physics Analysis

In this paper, we present HEPnOS, a distributed data service for managing data produced by high-energy physics (HEP) experiments. Using HEPnOS, HEP applications can use HPC resources more effciently than traditional fle-based applications. The fle-based model leads to a rigid, chunk-based allocation of computational resources and limits the number of cores that can be used concurrently by an HEP application. The fundamental problem is that organizing domain-specifc data into fles inadvertently introduces a single, artifcial, confated tuning parameter that puts key optimization goals into confict: larger fle sizes reduce metadata overhead and thus improve I/O effciency, but smaller fle sizes provide more opportunity for workfow parallelism and load balancing. In this work, we introduce a domain-specifc data service that decouples that constraint so that data can be accessed and processed in its natural granularity while still maintaining I/O effciency. By removing the constraints introduced by fle handling we are able to obtain better scaling and make effcient use of more cores for processing a fxed-sized data sample. We demonstrate the improved scalability by using an application developed in the fle-based paradigm and comparing it to a version modifed to use HEPnOS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Stochastic representation and conditioning of process-based geological model by deep generative and recognition networks

Accurate and realistic geological modeling is the core of oil and gas development and production. In recent years, process-based methods are developed to produce highly realistic geological models by simulating the physical processes that reproduce the sedimentary events and develop the geometry. However, the complex dynamic processes are extremely expensive to simulate, making process-based models difficult to be conditioned to field data. In this work, we propose a comprehensive generative adversarial network framework as a machine-learning-assisted approach for mimicking the outputs of process-based geological models with fast generation. The main objective of our work is to obtain a continuous parametrization of the highly realistic process-based geological models which enables us to calibrate the models and condition the models to data. Numerical results are presented to illustrate the capability of our proposed methodology.

58 GEOSCIENCES↗
DOE OSTI2024

Fuel Behavior Implications of Reactor Design Choices in Pressurized Water SMRs

Small pressurized water reactors (PWRs) can feature boron free operation, natural circulation mode, reduced height assemblies and/or long refueling cycles. This paper attempts to explore core design optimization for each of these design evolutions. In consequence, five core design layouts are developed incorporating boron free operation with continuous control rods insertion, natural circulation with low burnup/low power density design, natural circulation with high burnup/low power density design, forced circulation with standard core power density design, and forced circulation with high power density design. These cores’ performance is compared to a standard 4-loop PWR. The design process aims to improve the fuel cycle cost under safety constraints through core design optimization using CASMO4E/SIMULATE3 reactor physics codes and FRAPCON4.1 fuel performance assessment tool. Core modeling assumes standard 17x17 PWR fuel assemblies loaded with low enriched uranium (LEU) up to 5wt% or LEU+ (i.e., below 10wt% enrichment) pellets with gadolinium oxide (Gd2O3) as the burnable poison. Satisfactory core and fuel performances are obtained for all the designed cores under steady state and considered overpower transients. For low power density operation, long cycle lengths are achieved reaching a 2.5- and a 5-year cycles and peak rod-average burnup is pushed to 83 MWd/kgU. Other cycle lengths are maintained at 18 months. Boron free operation exhibits the ability to achieve longer cycle lengths at the cost of higher peaking factors leading to high local power and fuel temperatures which prevents sizable power uprates and is deemed uneconomical. Fuel assembly height reduction allows coolant velocity retrofit which enables higher core power density without violating structural integrity of the fuel assembly. As a result, a core power density of 123 kW/l is reached where total cladding hoop strain becomes the limiting parameter.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Leveraging High-resolution Molecular Composition of Soil Organic Matter to Enhance Carbon Cycling Modeling

Soils store more carbon than the atmosphere and vegetation combined, yet Earth system models still struggle to predict how this vast reservoir will respond to environmental change. A central limitation is that most soil biogeochemical models represent organic matter using bulk conceptual pools or chemically homogeneous fractions, preventing direct use of rapidly expanding molecular-scale datasets. Here we develop and test a new soil decomposition framework that explicitly integrates high-resolution information on organic matter composition. First, we construct a molecularly informed litter decomposition module in which plant inputs are partitioned into five functional compound classes—carbohydrates, proteins, lignin-like aromatics, lipids, and carbonyls—using a molecular mixing model calibrated to solid-state 13 C Nuclear Magnetic Resonance (NMR) spectra. Class-specific kinetics, lignin-dependent physical protection, and substrate-driven microbial carbon use efficiency allow the module to capture metabolic tradeoffs associated with enzyme production and nutrient limitation. We then embed this litter module within a microbially explicit whole-soil model that tracks the transformation of these compound classes through particulate organic matter, dissolved organic matter, mineral-associated organic matter, and microbial biomass. High-resolution Fourier Transform Ion Cyclotron Resonance mass spectrometry (FTICR-MS) data are used to link internal pools to measurable soil organic matter fractions and to constrain key process parameters. Applications at soil-core and ecosystem scales demonstrate that the new model reproduces observed soil respiration dynamics while providing mechanistic attribution of CO 2 fluxes to specific chemical classes and pools. Compared to existing frameworks such as the Community Land Model soil biogeochemistry module and the Millennial model, our approach maintains competitive predictive skill while substantially improving interpretability and opportunities for data–model integration. This work illustrates a viable pathway for leveraging molecular-scale observations to reduce structural uncertainty in soil carbon–climate feedback projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

A Computational Tool Compatible with NEAMS Code Packages for Optimizing the Shape of Nuclear Reactor Components and of Whole Core Performance

We designed and implemented a shape optimization tool that functions with NEAMS codes, and that nuclear scientists and engineers can employ to optimize the shape of individual components and the whole core under the applicable single- or multi-physics model comprising the employed code(s). The shape-optimization tool enables varying the geometric shape itself as well as its dimensions to yield, potentially, new component designs that are not limited by the designer’s intuition and previous experience. In cases where the optimal-shape object is an individual component, we provide the capability for additional verification that the whole-core performance using the optimized component performs better, under the prescribed optimization criteria, than the initial design. Our shape-optimization tool couples to NEAMS codes via a flexible input- composer interface and enables the user to constrain the shape’s evolution to ensure the component’s manufacturability. Finally, we demonstrate our shape-optimization tool with single- and multi-physics NEAMS codes. This objective is motivated by the recent advances in manufacturing technology that, combined with rising interest in novel reactor concepts, are creating new opportunities for innovation in the design of individual components that affect the performance of the full reactor system. In particular, Additive Manufacturing (AM) enables mass production of highly precise, intricate and complex component shapes that are not feasible with traditional manufacturing techniques. To accomplish this goal we developed and implemented in MOOSE: (1) discrete shape optimization capability based on a state-space search that uses Artificial Intelligence strategies to find the optimal state/shape; (2) smooth shape optimization tool that employs PETSc’s toolkit for advanced optimization (TAO) to optimize node-displacement of the components’ model sidesets; (3) hierarchical core optimization workflow that recognizes the repeating patterns typical in a nuclear reactor and performs the optimization one level at a time with increasing length scale. Each of these tools is equipped with user-specified constraints to avoid optimal shapes that are not manufacturable. The developed shape optimization tool is verified and demonstrated on various nuclear reactor core components and models. The optimization process accounts for tightly coupled physics that govern the behavior of these target reactors, and exercises several NEAMS codes in a coupled multiphysics fashion. The impact of the delivered shape optimization tool will materialize in the optimal design, from the outset, of advanced reactors currently contemplated to regain the US’s leadership in nuclear energy R&D. Novel reactor concepts, e.g. Molten Salt Reactors, and sizes/capacities, e.g. micro- reactors, provide a unique opportunity to optimize performance from the early stages of development, before the investment in components’ production lines, validation experiments, and licensing regimes make future improvements in performance prohibitively expensive and force sub-optimal performance on the affected reactor concept in perpetuity. This benefit will be realized by the delivered shape optimization tool regardless of the applicable manufacturing process whether traditional or AM, thereby broadening the impact of this project on current and future reactor concepts and technologies

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

ODIN: Confirmation and 3D Reconstruction of Six Massive Protoclusters at Cosmic Noon

Protoclusters represent sites of accelerated galaxy formation and extreme astrophysical activity characteristic of dense environments. Identifying massive protoclusters and mapping their spatial structures are therefore crucial for understanding how large-scale environment influences galaxy evolution. We combine wide-field Lyα imaging from the One-hundred-deg$^{2}$ DECam Imaging in Narrowbands survey with extensive Dark Energy Spectroscopic Instrument and ancillary spectroscopy across the extended COSMOS and XMM Large Scale Structure (LSS) fields (≈14 deg$^{2}$) to search for massive protoclusters. We confirm six systems at z ≈ 2.4 and ≈ 3.1, including three newly identified structures and three which overlap with previously known structures and/or systems detected using other tracers. We reconstruct their three-dimensional structures, estimate descendant halo masses, and for one structure at z ≈ 3.12, demonstrate that overlapping narrowband filters (NB497 and N501) provide accurate redshift tomography for emission-line galaxies. One protocluster at z ≈ 2.45 overlaps with one of the LATIS tomographic fields, enabling direct comparison between galaxy and H i overdensities traced by Lyα forest absorption. Another at z ≈ 3.12 hosts a massive quiescent galaxy (M$_{*}$ ≈ 1.2 × 10$^{11}$M$_{⊙}$), suggesting that overdense environments may play a role in accelerating galaxy assembly and quenching. Comparing Lyα emission properties across environments, we find that protocluster galaxies exhibit higher median line fluxes and a deficit of faint emitters relative to the field. The effect is strongest when combining 2D and 3D density information, indicating that galaxies in the densest protocluster cores are most affected by environmental processes. This effect is stronger at z ≈ 3.1 than at z ≈ 2.4, suggesting possible redshift evolution.

Ortiz, Ashley [Purdue U.] (ORCID:000900083184304X)↗
DOE OSTI2026

High-Speed Layup and Forming of Automotive Composite Components

This Project is focused on the design and manufacture of automotive components that meet functional and environmental requirements of an existing automotive application at a cost of ≤ $\$$11.00 per kilogram weight reduction. This project fosters the development of composite material technologies suitable for high volume automotive processes and run rates as well as industry workforce development with these technologies. Current automotive manufacturing involves utilizing steel or aluminum in sheet form which is rapidly stamped into components at rates up to 3600 per hour. The metallic sheets are available in many different thicknesses, strength levels, and manufacturing rates are reasonable independent of part size. While composite materials are available for use in automotive applications, the material cost, labor to manufacture and the processing of the waste far exceed the cost compared to metallic designs. Typical composite layer by layer layup procedures don’t meet the desired 60 second layup time that current automotive processes require and are also restricted by part size. Due to these factors, composites have not yet made advances into today’s high volume automotive applications. Industry partners DURA, BASF, Ford, and IACMI core innovation partner MSU collaborated to develop a manufacturing process technology that is capable of manufacturing composite blanks at high volume and independent of part size. IACMI core innovation partner Purdue provided FEA analysis and cost modelling. The objective of this project was to demonstrate a composite sheet layup and consolidation process that can be commercialized for high volume requirements, identify potential layup equipment suppliers, and develop a process of 60 second layup, forming, and trimming of a continuous fiber automotive component for the mainstream market.

42 ENGINEERING↗
DOE OSTI2022

Analysis of Deformation Mechanisms, Strain Localization, and Fracture in Highly Irradiated Austenitic Steels – Light-Water Reactor Core Materials – via Advanced inSEM Techniques

The present report describes the establishing of an advanced experimental approach – high-resolution digital image correlation or µDIC – for testing miniature irradiated specimens in the ORNL’s Low Activation Materials Development and Analysis (LAMDA) facility. As expected, the µDIC approach will allow for studying strain localization inside grains, for instance, during dislocation channel-grain boundary interaction processes. This information is of high importance for understanding degradation processes in irradiated austenitic steels – in-core materials of Light Water Reactors. The Level 4 report provides a brief introduction, lists materials designated for µDIC testing and delivered in LAMDA this FY, discusses methodical concerns and preliminary observations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Cathode Upcycling for Direct Recycling of Lithium‐Ion Batteries Using a Precipitation Approach

With the increased production of electric vehicles to reduce carbon emissions, the lithium-ion battery market to supply those vehicles has grown dramatically. To enhance battery sustainability and circularity, direct recycling methods aim to recover intact cathode materials. However, end-of-life cathode materials are typically 15–20 years old and often have lower energy density compared to current cathode materials. To address this challenge, a rapid precipitation process is developed to boost energy density by converting low Ni-compositions, LiNi 0.33 Co 0.33 Mn 0.33 O 2 (NMC111), into higher Ni-compositions (NMC622). This process forms a Ni-rich coating on cathode particles that diffuses into the core upon high-temperature relithiation, increasing compositional homogeneity. The upcycling process leverages existing infrastructure, offering low capital cost and minimal additional chemical input. Through ex situ tomographic transmission X-ray microscopy (TXM), 3D Ni:Co elemental mixing is quantified, confirming that elemental content evens at the secondary particle level with a mean NMC622 composition upon relithiation. However, elemental gradients remain in the single crystalline primary particles. Ex situ high-resolution and in situ wide-angle X-ray diffraction reveals concurrent structural changes during the relithiation process. These findings provide key insights into the structural and chemical mechanisms of elemental diffusion to obtain further improvements of increased capacity and retention through compositional conversion of cathode materials.

Cathode Upcycling↗
DOE OSTI2025

Automatic building energy model development and debugging using large language models agentic workflow

Building energy modeling (BEM) is a complex process that demands significant time and expertise, limiting its broader application in building design and operations. While Large Language Models (LLMs) agentic workflow have facilitated complex engineering processes, their application in BEM has not been specifically explored. This paper investigates the feasibility of automating BEM using LLM agentic workflow. Here, we developed a generic LLM-planning-based workflow that takes a building description as input and generates an error-free EnergyPlus building energy model. Our robust workflow includes four core agents: 1) Building Description Pre-Processing, 2) IDF Object Information Extraction, 3) Single IDF Object Generator Suite, and 4) IDF Debugging Agent. These agents divide the complex tasks into manageable sub-steps, enabling LLMs to generate accurate and reliable results at each stage. The case study demonstrates the successful translation of a building description into an error-free EnergyPlus model for the iUnit modular building at the National Renewable Energy Laboratory. The effectiveness of our workflow surpasses: 1) naive prompt engineering, 2) other LLM-based workflows, and 3) manual modeling, in terms of accuracy, reliability, and time efficiency. The paper concludes with a discussion on the interplay between foundational models and LLM agent planning design, advocating for the use of fine-tuned, specialized models to advance this field.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Origin of core-to-core x-ray emission spectroscopy sensitivity to structural dynamics

Recently, coherent structural dynamics in the excited state of an iron photosensitizer was observed through oscillations in the intensity of Kα x-ray emission spectroscopy (XES). Understanding the origin of the unexpected sensitivity of core-to-core transitions to structural dynamics is important for further development of femtosecond time-resolved XES methods and, we believe, generally necessary for interpretation of XES signals from highly non-equilibrium structures that are ubiquitous in photophysics and photochemistry. Here, we use multiconfigurational wavefunction calculations combined with atomic theory to analyze the emission process in detail. The sensitivity of core-to-core transitions to structural dynamics is due to a shift of the minimum energy metal–ligand bond distance between 1s and 2p core-hole states. A key effect is the additional contraction of the non-bonding 3s and 3p orbitals in 1s core-hole states, which decreases electron– electron repulsion and increases overlap in the metal–ligand bonds. The effect is believed to be general and especially pronounced for systems with strong bonds. The important role of 3s and 3p orbitals is consistent with the analysis of radial charge and spin densities and can be connected to the negative chemical shift observed for many transition metal complexes. The XES sensitivity to structural dynamics can be optimized by tuning the emission energy spectrometer, with oscillations up to ±4% of the maximum intensity for the current system. The theoretical predictions can be used to design experiments that separate electronic and nuclear degrees of freedom in ultrafast excited state dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Optimization Methodology of Pebble Bed HTGR Start-Up and Running-in Strategy

In recent years interest in advanced reactor technologies has increased significantly. However, the methods used for analysis of traditional nuclear reactors are insufficient to consider all the different and varied advanced reactor designs without further development. One promising advanced reactor design is the pebble bed reactor (PBR). PBRs possess unique operational and fuel cycle features that require the development of specific analysis methodologies to adequately design and analyze the systems. There is a need in PBR research for a capability to analyze and optimize the process of transitioning from the start-up reactor core to the equilibrium core (known as the “running-in” of the reactor). The start-up of a PBR and the transition to the equilibrium core is a complex, multi-physics challenge that has not yet been well researched and has many opportunities for design, analysis, and optimization of the process. In this research, a methodology is defined to consider the potential strategies in PBR start-up and run-in to the equilibrium core. Multiple candidate software are considered, and their pros and cons are discussed for the PBR-specific application in the methodology. A preliminary software selection for the physics engine is made, and initial verification of key modules is performed. Software to support optimization of the reactor run-in strategies through reduced order modeling (ROM) and machine learning are considered. Challenges for a full implementation of the methodology are discussed. Additional code selections and verification of models relevant to the application are needed before full demonstration of the methodology can be achieved and an optimal strategy determined.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Practical Introduction to Benchmarking and Characterization of Quantum Computers

Rapid progress in quantum technology has transformed quantum computing and quantum information science from theoretical possibilities into tangible engineering challenges. Breakthroughs in quantum algorithms, quantum simulations, and quantum error correction are bringing useful quantum computation closer to fruition. These remarkable achievements have been facilitated by advances in quantum characterization, verification, and validation (QCVV). QCVV methods and protocols enable scientists and engineers to scrutinize, understand, and enhance the performance of quantum information-processing devices. In this tutorial, we review the fundamental principles underpinning QCVV, and introduce a diverse array of QCVV tools used by quantum researchers. We define and explain QCVV’s core models and concepts—quantum states, measurements, and processes—and illustrate how these building blocks are leveraged to examine a target system or operation. We survey and introduce protocols ranging from simple qubit characterization to advanced benchmarking methods. Along the way, we provide illustrated examples and detailed descriptions of the protocols, highlight the advantages and disadvantages of each, and discuss their potential scalability to future large-scale quantum computers. This tutorial serves as a guidebook for researchers unfamiliar with the benchmarking and characterization of quantum computers, and also as a detailed reference for experienced practitioners.

open quantum systems & decoherence↗
DOE OSTI2022

Hierarchical 3D Printed Porous Silicones with Porosity Derived from Printed Architecture and Silicone-Shell Microballoons

A method is reported to prepare siloxane microballoons that can be loaded into a direct ink write siloxane ink for 3D printing. The resulting structure is subjected to a solvent removal and supercritical drying process to provide a final printed siloxane having both macroscopic and microscopic porosity. Core-shell particles are generated by an emulsion template and phase separation process. Intra-strand closed-cell porosities can be achieved between 10 and 40 vol% thus facilitating additional compressive strain before lockup. Here short term compression set testing highlights the excellent shape retention properties of these elastomers, which have less than 8% relative compression set under load.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Physics of Edge-Core Coupling by Inward Turbulence Propagation

The dynamics of edge-core coupling is critically important to the optimization of magnetically confined fusion plasmas. Since early proposals, there has been persistent speculation that inward propagation of turbulence from the boundary is a possible means to energize the edge-core coupling region. However, the detailed mechanism of this process has remained a mystery until recent experiments observed that regular, intense gradient relaxation events generated blob-void pairs very close to the last closed flux surface. Blobs ($\tilde{n}$ >0) propagate outward and detach from the bulk plasma, while voids ($\tilde{n}$ <0) propagate inward, and so stir the core plasma. Here, in this work, we demonstrate that this heretofore ignored process of void emission can drive a broad turbulent layer of width ∼100 𝜌 𝑠 , for typical parameters. The mechanism is the Cherenkov emission of drift waves from inward-propagating voids. The model shows promise to resolve several questions surrounding the shortfall problem and the strong turbulence in the edge-core coupling region.

drift waves↗
DOE OSTI2021

Lower bound for the neutrino magnetic moment from kick velocities induced at the birth of neutron stars

We show that the neutrino chirality flip, which can take place in the core of a neutron star at birth, is an efficient process to allow neutrinos to anisotropically escape, thus providing a to induce the neutron star kick velocities. The process is not subject to the no-go theorem since although the flip from left- to right-handed neutrinos happens at equilibrium, the reverse process does not take place given that right-handed neutrinos do not interact with matter and therefore detailed balance is lost. For simplicity, we model the neutron star core as being made of strange quark matter. We find that the process is efficient when the neutrino magnetic moment is not smaller than [Formula: see text], where [Formula: see text] is the Bohr magneton. When this lower bound is combined with the most stringent upper bound, which uses the luminosity data obtained from the analysis of SN 1987A, our results set a range for the neutrino magnetic moment given by [Formula: see text]. The obtained kick velocities for natal conditions are consistent with the observed ones and span the correct range of radii for typical magnetic field intensities.

Physics↗
DOE OSTI2022

Regulatory Treatment of Non-Core Sources of Radioactivity for Advanced Reactor Designs

The recent resurgence in advance (non-light water) reactor development has been paralleled by the development of risk-informed performance-based (RIPB) licensing pathways. Specifically, the creation of the RIPB Licensing Modernization Project (LMP) approach and subsequent endorsement by the U.S. Nuclear Regulatory Commission (NRC) now provides advanced reactor vendors with a defined RIPB method to develop an affirmative safety case for licensing. In addition, the Technology Inclusive Content of Applications Project (TICAP) has published guidance on developing a license application based on the LMP approach. To support the utilization of risk information as part of advanced reactor design and licensing efforts, the American Society of Mechanical Engineers (ASME)/American Nuclear Society (ANS) Joint Committee on Nuclear Risk Management (JCNRM) has developed a probabilistic risk assessment (PRA) standard for advanced reactors. The standard, which was formerly approved by the American National Standards Institute (ANSI) in 2021 and recently endorsed by the NRC in trial use Regulatory Guide (RG) 1.247, is an integral standard, covering from initiating events to offsite consequence. A major feature of the standard is that it permits the inclusion of any source of radioactivity material at the site within the plant PRA. Therefore, non-core sources of radioactivity, such as fuel storage, fuel processing, and purification systems, can be included within a single comprehensive plant PRA. For those advanced reactor vendors utilizing a RIPB licensing approach, there is an opportunity to include the non-core sources of radioactivity within the RIPB framework for licensing decision-making, such as the categorization of events, classification of structures, systems, and components (SSCs), and evaluation of the adequacy of defense-in-depth (DID). For advanced reactor designs that contain multiple non-core sources of radioactivity, or for monolithic plant sites that include associated fuel facilities, this approach could potentially simplify licensing applications through the use of a single, uniform, and consistent decision-making framework across all radioactive sources at the site. In addition, a RIPB approach could provide additional insights regarding plant behavior, flexibility regarding licensing decision-making, and potentially allow the use of risk information as part of the plant oversight process. Risk-informing these aspects of advanced reactor licensing would also be consistent with the NRC’s risk policy statement. However, there is diverse regulation and guidance regarding the licensing of non-core sources of radioactivity and generally limited experience using RIPB approaches for the evaluation as part of licensing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗