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DOE OSTI2023

Modeling Enhancements and Demonstration of Shift Capabilities for PBRs and MSRs

This technical report documents the modeling enhancements and demonstrations with the Shift Monte Carlo (MC) code targeted at pebble-bed reactors (PBRs) and molten salt reactors (MSRs) under the US Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in fiscal year (FY) 2023. The work performed included several enhancements, such as improvements for multigroup cross section generation, a new eigenvalue mode considering only prompt fission neutrons, and enhancements to the Titan frontend for Shift to allow for new geometry types and tally functionality. Additionally, new PBR equilibrium core search reference calculations were generated with Shift and compared to Serpent calculations provided by Idaho National Laboratory (INL). These enhancements provide a robust foundation for applying Shift for both reference and two-step neutronics analysis for advanced reactor simulation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2024

Quantum Computing and Simulations for Energy Applications

While quantum computing (QC) is considered as a paradigm shift in our basic understanding of physical computation, effective implementation of QC in energy applications also depends on progress and development in the dimensions of both QC hardware and algorithms. To fully address the status and future challenges of QC applied within the energy sector, in this presentation, we firstly summarize recent advancements on the applications of QC to energy infrastructure and materials, complex energy system processes, advanced manufacturing, and energy system security. Then, we will demonstrate the results of QC performed both on a simulator and a quantum device targeting on energy-related applications.

Paudel, Hari P.↗

NASA NTRS1997

Ultra-Capacitor Energy Storage in a Large Hybrid Electric Bus

The power requirements for inner city transit buses are characterized by power peaks about an order of magnitude larger than the average power usage of the vehicle. For these vehicles, hybrid power trains can offer significantly improved fuel economy and exhaust emissions. A critical design challenge, however, has been developing the energy storage and power management system to respond to these rapid power variations. Most hybrid vehicles today use chemical energy storage batteries to supplement the power from the fuel burning generator unit. Chemical storage batteries however, present several difficulties in power management and control. These difficulties include (1) inadequate life, (2) limited current delivery as well as absorption during regenerative braking, (3) inaccurate measurement of state of charge, and (4) stored energy safety issues. Recent advances in ultra-capacitor technology create an opportunity to address these concerns. The NASA Lewis Research Center, in cooperation with industry and academia, has developed an advanced hybrid electric transit bus using ultra-capacitors as the primary energy storage system. At over 15,000-kg gross weight, this is the largest vehicle of its kind ever built using this advanced energy storage technology. Results of analyses show that the vehicle will match the performance of an equivalent conventionally powered vehicle over typical inner city drive cycles. This paper describes the overall power system architecture, the evolution of the control strategy, and analysis of power flow and vehicle performance.

Viterna, L. A.↗

DOE OSTI2020

Solvent-Based Absorption

Solvent-based CO2 absorption processes are the oldest and most mature technology, having been deployed at what would be considered full-scale for post-combustion CO2 capture. There are many commercial 1st and 2nd generation technologies such as Econamine FG+, CANSOLV, Oase Blue, KS-1, with dozens if not hundreds of 3rd generation solvents that are been studied at varying stages of testing. While there are many solvents that are under development, nearly all solvents function on the same physical and chemical principles and it is not surprising that they all have similar configurations with somewhat comparable levels of performance. The enhancements in energy efficiency for solvents have come primarily from the engineering advancements over many decades of refinement, though surprisingly little has changed with respect to the molecular structure of solvents over the same period of time. In this chapter, we explain the tenets of solvent-based processes and provide a chronological timeline of solvents throughout their nearly 90-year history with discussions of why and how advancements in solvent efficiency have been achieved and we conclude with an outlook for the future of solvents and their place in CCUS.

Heldebrant, David J.↗

DOE OSTI2025

Advanced Fuels Campaign Execution Plan

The Advanced Fuels Campaign (AFC) Execution Plan details the strategy, mission, scope, and goals—both near-term and long-term—along with the structure and organization of nuclear fuels and materials research, development, and demonstration (RD&D) activities within the Fuel Cycle Technologies (FCT) program. The FCT program, tasked by the U.S. Department of Energy (DOE), employs a science-based approach to advance fuel technologies. This approach integrates theory, experiments, and multi-scale modeling and simulation (M&S) to develop a predictive understanding of fuel fabrication processes and fuel/cladding performance under irradiation, moving beyond traditional empirical methods. The long-term goals of the AFC are guided by the AFC Strategic Plan and align with the DOE Office of Nuclear Energy (NE) Roadmap [1], which outlines a multi-decade vision for demonstrating and qualifying advanced fuel forms to support diverse fuel cycle options. Near-term goals focus on enhancing accident tolerant fuels (ATF) for Light Water Reactors (LWR), a significant challenge that demands balancing immediate objectives with ongoing progress toward advanced reactor missions. Accelerating the traditional fuel qualification process to meet ATF objectives is another critical challenge. A detailed set of 5-year goals, summarized below, has been developed in line with the overarching science-based fuel development approach: • Advanced LWR Fuel Technologies: By 2027, support the development of advanced LWR fuel technologies with improved performance and enhanced accident tolerance. This includes high burnup (HBu), low enriched uranium (LEU)+, coated cladding, and doped fuel, aimed at complementing industry-led significant LWR uprates and plant refurbishments. • Tristructural Isotropic (TRISO) Fuel: Achieve qualification by 2028 and develop improved designs for emerging markets. • Metal Fuel: Achieve qualification by 2028 and develop improved designs for emerging markets. • Molten Salt Fuel: By 2027, deploy a robust program that enables fuel salt qualification technologies needed to support fuel salt research and development (R&D), focusing on emergent needs to derisk fuel salt production and utilization in advanced reactors. • Long-Term ATF: Develop fuel technologies that enable significant power uprates (~50%) in refurbished or new LWRs while optimizing fissile material utilization and waste disposal. The 5-year milestones in the AFC Execution Plan are contingent on an assumed budget. This Execution Plan will be updated annually to reflect actual funding profiles as budget guidance becomes available, ensuring milestones are adjusted accordingly. In summary, the AFC Execution Plan presents a comprehensive strategy to advance nuclear fuel technologies through a science-based approach, addressing both near-term and long-term goals while adapting to funding realities.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Robust Decentralized Secondary Frequency Control in Power Systems: Merits and Trade-Offs

Frequency restoration in power systems is conven- tionally performed by broadcasting a centralized signal to local controllers. As a result of the energy transition, technological advances, and the scientific interest in distributed control and optimization methods, a plethora of distributed frequency control strategies have been proposed recently that rely on communication amongst local controllers. In this paper we propose a fully decentralized leaky integral controller for frequency restoration that is derived from a classic lag element. We study steady-state, asymptotic optimality, nominal stability, input-to-state stability, noise rejection, transient performance, and robustness properties of this controller in closed loop with a nonlinear and multivariable power system model. Here, we demonstrate that the leaky integral controller can strike an acceptable trade-off between performance and robustness as well as between asymptotic disturbance rejection and transient convergence rate by tuning its DC gain and time constant. We compare our findings to conventional decentralized integral control and distributed- averaging-based integral control in theory and simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

A High-Performance Sintered Iron Electrode for Rechargeable Alkaline Batteries to Enable Large-Scale Energy Storage

Iron-based alkaline rechargeable batteries such as iron-air and nickel-iron batteries are particularly attractive for large-scale energy storage because these batteries can be relatively inexpensive, environment- friendly, and also safe. Therefore, our study has focused on achieving the essential electrical performance and cycling properties needed for the widespread use of iron-based alkaline batteries in stationary and distributed energy storage applications.We have demonstrated for the first time, an advanced sintered iron electrode capable of 3500 cycles of repeated charge and discharge at the 1-hour rate and 100% depth of discharge in each cycle, and an average Coulombic efficiency of over 97%. Such a robust and efficient rechargeable iron electrode is also capable of continuous discharge at rates as high as 3C with no noticeable loss in utilization. We have shown that the porosity, pore size and thickness of the sintered electrode can be selected rationally to optimize specific capacity, rate capability and robustness. As a result, these advances in the electrical performance and durability of the iron electrode enables iron-based alkaline batteries to be a viable technology solution for meeting the dire need for large-scale electrical energy storage.

25 ENERGY STORAGE↗

DOE OSTI2021

EMS and DMS Integration of the Coordinative Real-time Sub-Transmission Volt-Var Control Tool under High DER Penetration

This paper proposes an applicable approach to deploy the Coordinative Real-time Sub-Transmission Volt-Var Control Tool (CReST-VCT), and a holistic system integration framework considering both the energy management system (EMS) and distribution system management system (DMS). This provides an architectural basis and can serve as the implementation guideline of CReST-VCT and other advanced grid support tools, to co-optimize the operation benefits of DERs and assets in both transmission and distribution networks. Potential communication protocols for different physical domains of a real application is included. Performance and security issues are also discussed, along with specific considerations for field deployment. Finally, the paper presents a viable pathway for CReST-VCT and other advanced grid support tools, which could be integrated in an open-source standardized-based platform that supports distribution utilities.

Nguyen, Quan H.↗

DOE OSTI2017

Electron Temperature Fluctuation Measurements and Transport Model Validation at Alcator C-Mod

The tokamak is a type of toroidal device used to confine a fusion plasma using large magnetic fields. Tokamaks and stellarators the leading devices for confining plasmas for fusion, and the capability to predict performance in these magnetically confined plasmas is essential for developing a sustainable fusion energy source. The magnetic configuration of tokamaks and stellarators does not exist in Nature, yet, the fundamental processes governing transport in fusion plasmas are universal – turbulence and instabilities, driven by inhomogeneity and asymmetry in the plasma, conspire to transport heat and particles across magnetic field lines and can play critical roles in impurity confinement and generation of intrinsic rotation. Turbulence exists in all plasmas, and in neutral fluids as well. The study of turbulence is essential to developing a fundamental understanding of the nature of the fourth state of matter, plasmas. Experimental studies of turbulence in tokamaks date back to early scattering observations from the late 1970s. Since that time, great advances in turbulence diagnostics have been made, all of which have significantly enhanced our knowledge and understanding of turbulence in tokamaks. Through comparisons with advanced gyrokinetic theory and turbulent-transport models a great deal of evidence exists to implicate turbulent-driven transport as an important mechanism determining transport in all channels: heat, particle and momentum However, prediction and control of turbulent-driven transport remains elusive. Key to development of predictive transport models for magnetically confined fusion plasmas is validation of the nonlinear gyrokinetic transport model, which describes transport due to turbulence. Validation of gyrokinetic codes must include detailed and quantitative comparisons with measured turbulence characteristics, in addition to comparisons with inferred transport levels and equilibrium profiles. For this reason, advanced plasma diagnostics for studying core turbulence are needed in order to assess the accuracy of gyrokinetic models for turbulent-driven particle, heat and momentum transport. New core turbulence diagnostics at the world-class tokamaks Alcator C-Mod at MIT and ASDEX Upgrade at the Max Planck Institute for Plasma Physics have been designed, developed, and operated over the course of this project. These new instruments are capable of measuring electron temperature fluctuations and the phase angle between density and temperature fluctuations locally and quantitatively. These new data sets from Alcator C-Mod and ASDEX Upgrade are being used to fill key gaps in our understanding of turbulent transport in tokamaks. In particular, this project has results in new results on the topics of the Transport Shortfall, the role of ETG turbulence in tokamak plasmas, profile stiffness, the LOC/SOC transition, and intrinsic rotation reversals. These data are used in a rigorous process of “Transport model validation”, and this group is a world-leader on using turbulence models to design new hardware and new experiments at tokamaks. A correlation electron cyclotron emission (CECE) diagnostic is an instrument used to measure micro-scale fluctuations (mm-scale, compared to the machine size of meters) of electron temperature in magnetically confined fusion plasmas, such as those in tokamaks and stellarators. These micro-scale fluctuations are associated with drift-wave type turbulence, which leads to enhanced cooling and mixing of particles in fusion plasmas and limits achieving the required temperatures and densities for self-sustained fusion reactions. A CECE system can also be coupled with a reflectometer system that measured micro-scale density fluctuations, and from these simultaneous measurements, one can extract the phase between the density (n) and temperature (T) fluctuations, creating an nT phase diagnostic. Measurements of the fluctuations and the phase angle between them are extremely useful for testing and validating predictive models for the transport of heat and particles in fusion plasmas due to turbulence. Once validated, the models are used to predict performance in ITER and other burning plasmas, such as the MIT ARC design. Most recently, data from the newly developed, so-called “CECE diagnostic” [Cima 1995, White 2008] and “nT phase angle measurements” [Haese 1999, White 2010] ]will be combined with data from density fluctuation diagnostics at ASDEX Upgrade to support a long-term program of physics research in turbulence and transport that will allow for more stringent testing and validation of gyrokinetic turbulent-transport codes. This work directly impacts the development of predictive transport models in the U.S. FES program, such as TGLF, developed by General Atomics, which are used to predict performance in ITER and other burning plasma devices as part of advancing the development of fusion energy sciences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Atmosphere to Electrons: Enabling the Wind Plant of Tomorrow

The U.S. Department of Energy’s (DOE’s) Atmosphere to Electrons (A2e) research initiative is focused on improving the performance and reliability of wind plants by establishing an unprecedented understanding of how the Earth’s atmosphere interacts with the wind plants and developing innovative technologies to maximize energy extraction from the wind. The A2e initiative pursues an integrated research portfolio to coordinate and optimize advancements in four main research areas: 1) plant performance and financial risk assessment, 2) atmospheric science, 3) wind plant aerodynamics, and 4) next-generation wind plant technology. It offers an integrated systems approach to developing the next generation of System Management of the Atmospheric Resource by Turbines (SMART) wind plant technologies necessary to increase wind deployment.

a2e↗

DOE OSTI2020

Bidentate Lewis bases are preferred for passivation of MAPbI 3 surfaces: A time-domain ab initio analysis

We report chemical passivation is a predominant approach to inhibit intrinsic defects responsible for electron–hole recombination in perovskite solar cells. Using time-domain density functional theory combined with nonadiabatic molecular dynamics, we demonstrate defect passivation by separation of electrons and holes in metal halide perovskites (MHPs), and show that bidentate ligands exhibit the best performance. Defects in traditional semiconductors create deep midgap states, and passivation eliminates these states. In contrast, common defects produce no deep midgap states in MHPs. Instead, defects localize electrons and holes around defect sites, enhancing electron–hole interaction. Defect passivation in MHPs acts to separate charges, decreasing electron–hole and charge–phonon interactions, and increasing charge lifetimes. Bidentate ligands work best, because they can passivate both unsaturated chemical bonds created due to vacancy defects. Bidentate ligands with spatially separated binding sites are preferred, since they provide better match to the sparse inorganic lattice of MHPs. Similar to the Lewis base ligands, water also acts as a ligand and extends charge lifetimes, with the oxygen atom donating its lone electron pair to the defect site. However, water accelerates chemical degradation of MHPs. The binding energy of most ligands is larger than that of water, and therefore, the ligands displace water, increase MHP stability and prolong carrier lifetimes. The established physical mechanism of defect passivation, and the specific principles guiding the choice of passivating molecules advance our understanding of the exceptional properties of MHPs and suggest routes for further improvement of MHP performance in solar energy and optoelectronic applications.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hydrogen R&D at NREL

This presentation provides an overview of the hydrogen R&D activities at NREL, including make, store, move, and use hydrogen. At NREL, our research spans the advanced water splitting materials (AWSM) and hydrogen storage R&D, performed within the HydroGEN and HyMARC Energy Materials Networks (EMN), respectively, to the materials integration and scale up work done within the H2NEW consortium, to fuel cell R&D within the M2FCT consortium, to stack and systems testing at the MW-level. These R&D activities are funded by U.S. Department of Energy Hydrogen and Fuel Cell Technologies Office.

08 HYDROGEN↗

DOE OSTI2017

Assessment of Sensor Technologies for Advanced Reactors

This paper provides an assessment of sensor technologies and a determination of measurement needs for advanced reactors (AdvRx). It is a summary of a study performed to provide the technical basis for identifying and prioritizing research targets within the instrumentation and control (I&C) Technology Area under the Department of Energy’s (DOE’s) Advanced Reactor Technology (ART) program. The study covered two broad reactor technology categories: High Temperature Reactors and Fast Reactors. The scope of “High temperature reactors” included Gen IV reactors whose coolant exit temperatures exceed ≈650 °C and are moderated (as opposed to fast reactors). To bound the scope for fast reactors, this report reviewed relevant operating experience from US-operated Sodium Fast Reactor (SFR) and relevant test experience from the Fast Flux Test Facility (FFTF). For high temperature reactors the study showed that in many cases instrumentation have performed reasonably well in research and demonstration reactors. However, even in cases where the technology is “mature” (such as thermocouples), HTGRs can benefit from improved technologies. Current HTGR instrumentation is generally based on decades-old technology and adapting newer technologies could provide significant advantages. For sodium fast reactors, the study found that several key research needs arise around (1) radiation-tolerant sensor design for in-vessel or in-core applications, where possible non-invasive sensing approaches for key parameters that minimize the need to deploy sensors in-vessel, (2) approaches to exfiltrating data from in-vessel sensors while minimizing penetrations, (3) calibration of sensors in-situ, and (4) optimizing sensor placements to maximize the information content while minimizing the number of sensors needed.

Korsah, Kofi↗

DOE OSTI2014

Performance Verification of Production-Scalable Energy-Efficient Solutions: Winchester/Camberley Homes Mixed-Humid Climate

Winchester/Camberley Homes with the Building America program and its NAHB Research Center Industry Partnership collaborated to develop a new set of high performance home designs that could be applicable on a production scale. The new home designs are to be constructed in the mixed humid climate zone four and could eventually apply to all of the builder's home designs to meet or exceed future energy codes or performance-based programs. However, the builder recognized that the combination of new wall framing designs and materials, higher levels of insulation in the wall cavity, and more detailed air sealing to achieve lower infiltration rates changes the moisture characteristics of the wall system. In order to ensure long term durability and repeatable successful implementation with few call-backs, this report demonstrates through measured data that the wall system functions as a dynamic system, responding to changing interior and outdoor environmental conditions within recognized limits of the materials that make up the wall system. A similar investigation was made with respect to the complete redesign of the heating, cooling, air distribution, and ventilation systems intended to optimize the equipment size and configuration to significantly improve efficiency while maintaining indoor comfort. Recognizing the need to demonstrate the benefits of these efficiency features, the builder offered a new house model to serve as a test case to develop framing designs, evaluate material selections and installation requirements, changes to work scopes and contractor learning curves, as well as to compare theoretical performance characteristics with measured results.

2X6 WALLS↗

DOE OSTI2016

Modeling Parasitic Energy Losses and the Impact of Advanced Tribological Concepts on Fuel Efficiency - Final CRADA Report

Our primary task for this project was to perform FMEP calculations for a broad range of parameters including engine type [spark ignition (SI) or compression ignition (CI)], engine size, engine mode (speed and load), lubricant viscosity, asperity friction, surface finish, oil type (mineral or synthetic), and additive (friction modifier), as discussed previously [1–3]. The actual analysis was limited to a large diesel engine and it included both load and speed dependencies as well as lubricant viscosity and speed.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2009

Modeling Innovations Advance Wind Energy Industry

In 1981, Glenn Research Center scientist Dr. Larry Viterna developed a model that predicted certain elements of wind turbine performance with far greater accuracy than previous methods. The model was met with derision from others in the wind energy industry, but years later, Viterna discovered it had become the most widely used method of its kind, enabling significant wind energy technologies-like the fixed pitch turbines produced by manufacturers like Aerostar Inc. of Westport, Massachusetts-that are providing sustainable, climate friendly energy sources today.

Source record↗

DOE OSTI2020

Investigation of Superluminescent Diodes for Smart Lighting Systems. Final Report

The solid-state lighting ecosystem has evolved very rapidly over the last few years, with significant improvements in the technical performance of light-emitting diodes (LEDs) and the commoditization of LED-based lighting fixtures. As the performance of conventional lighting products begins to saturate, there is growing market interest in “Lighting as a Service” applications that will leverage advanced systems to impart new functionalities to lighting and improve energy efficiency, human health, and productivity. These “Smart Lighting” systems will include high-performance light sources, specialized sensors, and dynamic controls to deliver high quality, energy efficient, color tunable lighting with customized spatial light delivery and integrated visible light communication capability. To achieve these capabilities, smart lighting systems will place greater demands on the performance of light sources. Highly efficient sources with additional functionalities compared to conventional LEDs, such as small form factor, large modulation bandwidth, and spatially coherent output beams, will be required. While laser diodes have been proposed as potential sources for smart lighting systems, they also exhibit several properties that pose challenges, such as temporal coherence, extremely high spatial coherence, and ultra-narrow linewidths. To address these issues, we propose an investigation of an alternative device architecture known as a superluminescent diode (SLD). SLDs are similar in form to ridge laser diodes and share many of the same characteristics, such as stimulated emission operation, spatially coherent output, small form factor, and the potential for large modulation bandwidth. However, the operating principle for SLDs is distinct from laser diodes in that SLDs lack a strong cavity feedback mechanism, resulting in spatially coherent but temporally incoherent light output. Thus, SLDs may address the issues with laser diodes for lighting, while simultaneously maintaining some of the desirable characteristics of both laser diodes and LEDs. The objectives of this proposal are to design, grow, and fabricate blue (450 nm) SLDs on polar c-plane and nonpolar m-plane free-standing GaN substrates, and to evaluate their potential as sources in smart lighting systems through basic device characterization and detailed investigations of their efficiency droop and modulation bandwidth. The primary scientific aims of this work are to understand the fundamental role of optical gain in the superluminescent (non-lasing) regime on efficiency droop and modulation bandwidth in III-nitride emitters and to understand the effects of higher optical gain on SLD performance by comparing polar c-plane and nonpolar m-plane SLDs. The University of New Mexico (UNM) will collaborate with Sandia National Laboratories (SNL) and the Center for Integrated Nanotechnologies to design, fabricate, grow, and characterize the SLDs. UNM will perform the design and epitaxial growth, while SNL will focus on the fabrication and device characterization. The novelty of the proposed work includes the first comprehensive theoretical and experimental investigations of efficiency droop and the first investigation of modulation bandwidth in GaN-based emitters operating in the superluminescent regime. Moreover, the comparison of c-plane and m-plane SLDs will enable the first analysis of the effects of higher optical gain on the device performance. The development of high-performance GaN-based SLDs may enable efficiency gains and improved functionality in next-generation smart lighting systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Nanostructured Functional Hydrogels as an Emerging Platform for Advanced Energy Technologies

Abstract Nanostructured materials are critically important in many areas of technology because of their unusual physical/chemical properties due to confined dimensions. Owing to their intrinsic hierarchical micro‐/nanostructures, unique chemical/physical properties, and tailorable functionalities, hydrogels and their derivatives have emerged as an important class of functional materials and receive increasing interest from the scientific community. Bottom‐up synthetic strategies to rationally design and modify their molecular architectures enable nanostructured functional hydrogels to address several critical challenges in advanced energy technologies. Integrating the intrinsic or extrinsic properties of various functional materials, nanostructured functional hydrogels hold the promise to break the limitations of current materials, improving the device performance of energy storage and conversion. Here, the focus is on the fundamentals and applications of nanostructured functional hydrogels in energy conversion and storage. Specifically, the recent advances in rational synthesis and modification of various hydrogel‐derived functional nanomaterials as core components in batteries, supercapacitors, and catalysts are summarized, and the perspective directions of this emerging class of materials are also discussed.

Zhao, Fei↗