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DOE OSTI2024

Transition in ICF Capsule Implosions

Longstanding design and reproducibility challenges in inertial confinement fusion (ICF) capsule implosion experiments involve recognizing the need for appropriately characterized and modeled three-dimensional initial conditions and high-fidelity simulation capabilities to predict transitional flow approaching turbulence, material mixing characteristics, and late-time quantities of interest—e.g., fusion yield. We build on previous coarse graining simulations of the indirect-drive national ignition facility (NIF) cryogenic capsule N170601 experiment-a precursor of N221205 which resulted in net energy gain. We apply effectively combined initialization aspects and multiphysics coupling in conjunction with newly available hydrodynamics simulation methods, including directional unsplit algorithms and low Mach-number correction-key advances enabling high fidelity coarse grained simulations of radiation-hydrodynamics driven transition. Our presentation includes discussion of the capsule initialization and implosion dynamics, analysis of the vorticity production budget, transition signatures, quantities of interest—late-time ion temperature and fusion-neutron yield, numerical uncertainty quantification, and comparisons with NIF data.

42 ENGINEERING↗

DOE OSTI2020

A Domestic Program for Liquid Metal PFC Research in Fusion

While high-Z solid plasma-facing components (PFCs) are the leading candidates for reactors, it is unclear that they can survive the intense plasma material interaction (PMI). Liquid metals (LM) PFCs offer potential solutions since they are not susceptible to the same type of damage, and can be “self-healing”. Following the Fusion Energy System Study on Liquid Metal Plasma Facing Components study that recently was completed by Kessel et al. (Fusion Sci Technnol 75:886, 2019) a domestic LM PFC design program has been initiated to develop reactor-relevant LM PFC concepts. This program seeks to evaluate LM PFC concepts for a Fusion Nuclear Science Facility (FNSF) or a Compact Pilot Plant via engineering design calculations, modeling of PMI and PFC components and laboratory experiments. The latter involves experiments in dedicated test stands and confinement devices and seeks to identify and answer open questions in LM PFC design. The new national LM PFC program is first investigating lithium as the plasma facing material for a flowing divertor PFC concept. Several flow speeds will be evaluated, ranging from ~ cm/s to m/s. The surface temperature will initially be held below the strongly evaporative limit in the first design; higher temperatures with strong evaporation will be considered in future concepts. Other topics of interest include: understanding of the hydrogen and helium interaction with the liquid lithium; single effect experiments on wetting, compatibility and embrittlement; and prototypical experiments for control and characterization of flowing LM. A path to plasma and future tokamak exposure of these concepts will be developed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Evaluation of the energy balance of chemical looping combustion of solid fuels using CuO-based oxygen carriers

Chemical looping combustion (CLC) can inherently capture the CO2 generated during thermal energy production. When using CuO-based oxygen carriers, the reactions in both the fuel reactor (FR) and air reactor (AR) are exothermic, facilitating autothermal operation. To prevent the oxygen carrier from becoming agglomerated while ensuring a sufficient oxygen release rate, it is necessary to predict the FR temperature and remove an appropriate amount of heat from the AR when burning high-rank fuels. Here in this work, the energy balance of a CuO-based CLC system firing various solid fuels (biomass, coal, and petroleum coke) was investigated by establishing a thermodynamic model using FactSage. The energy distribution characteristics of the FR were quantified based on a virtual five-step thermodynamic sequence. The effects of fuel properties, oxygen carrier properties, and operating conditions on the energy balance were evaluated systematically. The results indicate that the temperature difference between the FR and AR is not very sensitive to the heating value of the fuel, while the CuO loading of the oxygen carrier, the heat capacity of the support material, and the flow rate of the fluidizing gas have significant impact. The insights obtained in this work will help improve the design and heat management of CLC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Particle-based high-temperature thermochemical energy storage reactors

Solar and other renewable energy driven gas-solid thermochemical energy storage (TCES) technology is a promising solution for the next generation energy storage systems due to its high operating temperature, efficient energy conversion, ultra-long storage duration, and potential high energy density. Experimental and theoretical studies suggest that the respective gravimetric and volumetric TCES energy storage densities vary from 200 to 3000 kJ kg –1 and 1–3 GJ m –3 . Solar radiation or heat generated from electric furnaces powered by renewable electricity can be stored in the form of chemical energy through endothermic reactions, while the stored chemical energy can be converted to thermal energy via an exothermic reaction when needed. The design of highly effective reactors requires a deep understanding of materials, thermodynamics, chemical kinetics, and transport phenomena. At time of writing, TCES reactors are yet to be deployed at commercially relevant scales, leaving a substantial gap between development efforts and commercial feasibility. Therefore, this review aims to examine the state-of-the-art design and performance of particle-based TCES reactors with different reactive materials. Fundamentals related to TCES reactive materials, reaction conditions, thermodynamics and kinetics, and transport phenomena are reviewed in detail to provide a comprehensive understanding of the reactor design and operation. Five major types of TCES reactors have been comprehensively reviewed and compared, including fixed, moving, rotary, fluidized, and entrained bed reactors. Most reported prototype reactors in the literature operate at lab scale with thermal inputs below 40 kW, and scaled TCES reactors (e.g., at megawatt level) are yet to be demonstrated. The nominal reactor operating temperatures range from 300 to 1500 °C, depending on the selected chemistry, reactive material, and heat sources. To evaluate their designs, the reactors are assessed in aspects of performance, cost, and durability. Discrepancies in performance indicators of energy storage density, extent of reaction, and various energy efficiencies are highlighted. The scale-up of reactors and power block integration, which hold the key to the successful commercialization of TCES systems, are critically analyzed. Furthermore, advanced materials (both reactive materials and ceramic reactor housing materials), effective particle flow control, advanced modeling tools, and novel system design may bring significant improvement to the energy efficiency, storage density and cost competitiveness of particle-based TCES reactors.

25 ENERGY STORAGE↗

DOE OSTI2024

Learning nonlinear operators in latent spaces for real-time predictions of complex dynamics in physical systems

Abstract Predicting complex dynamics in physical applications governed by partial differential equations in real-time is nearly impossible with traditional numerical simulations due to high computational cost. Neural operators offer a solution by approximating mappings between infinite-dimensional Banach spaces, yet their performance degrades with system size and complexity. We propose an approach for learning neural operators in latent spaces, facilitating real-time predictions for highly nonlinear and multiscale systems on high-dimensional domains. Our method utilizes the deep operator network architecture on a low-dimensional latent space to efficiently approximate underlying operators. Demonstrations on material fracture, fluid flow prediction, and climate modeling highlight superior prediction accuracy and computational efficiency compared to existing methods. Notably, our approach enables approximating large-scale atmospheric flows with millions of degrees, enhancing weather and climate forecasts. Here we show that the proposed approach enables real-time predictions that can facilitate decision-making for a wide range of applications in science and engineering.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Acoustic Codes in 2D Spherical Coordinate

Finite-difference methods are widely used to simulate infrasound propagation in the atmosphere. Flexibility of finite-difference scheme allows implementation of highly heterogeneous media for sound propagation as well as complex source models for sound generation. While full 3-D finite-difference methods have been utilized for local infrasound propagation with pronounced topography, 2-D modeling approach has been preferred for regional and global propagation as full 3-D methods generally require enormous computational resources. Infrasound propagation is often simulated with a second-order finite difference scheme. This lowest-order finite-difference scheme is robust and straightforward to implement complex boundary conditions, but the solution includes large error with numerical dispersion and dissipation. This large numerical error may make the second-order finite-difference not optimal for long range infrasound propagation modeling as the numerical dispersion degrades the accuracy of the solution unacceptably. Here, we developed a high-order finite-difference solver for long-range infrasound simulation. The high-order scheme is particularly popular for linear wave modeling in aeroacoustics owing to its low-dispersive and low-dissipative behavior. We develop and evaluate a high-order finite difference scheme in 2-D axisymmetric coordinates. The axisymmetry allows to approximate 3-D spherical sound propagation and amplitude attenuation by a 2-D method. AC2Dr is developed to simulate infrasound propagation in realistic atmosphere, but can be used for linear acoustic waves in general materials with background flow. AC2Dr in an axisymmetric coordinates allows for spherical radiation of acoustic waves from compact sources.

Sjogreen, Bjorn↗

DOE OSTI2023

On the 3D printing of polyelectrolyte complexes: A novel approach to overcome rheology constraints

Strong polyelectrolytes, poly(styrene sulfonate) (PSS), and poly(diallyldimethylammonium) (PDADMAC) dissolved in aqueous KBr can be 3D printed for the first time in the air via direct ink writing (DIW). Viscous polyelectrolyte complex (PEC) solutions were deposited layer-by-layer and quenched with deionized water to produce mechanically viable, viscoelastic hydrogel objects. Optimal inks were confirmed by rheology and thermogravimetric measurements to map flow behavior with material composition. Finally, post-print handling and storage protocols were developed to produce printed resolutions more consistent with conventional DIW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Non-Diffusive Volume Advection with A High Order Interface Reconstruction Method

We show that non-diffusive volume advection in two-dimensions is achieved with several benchmark problems using a newly developed high-order volume of fluids (VOF) interface reconstruction method. (1) A new VOF interface reconstruction method using circular/corner facets (linear facets are a degenerate case of arcs). We create a circular interface facet in each mixed zone by matching neighbor volume with a hybrid Newton’s-bisection method and the local solution is final. In the general case, the new VOF interface reconstruction has 3rd order accuracy and can be easily made seamless. The new method addresses intrinsic issues with Young’s method such as gaps between interface facets in the case of a curved interface, and inability to define curvature nor identify corners. (2) A non-diffusive volume advection scheme. In an ALE advection step, a well-defined interface can be carried over through a Lagrange step and used to compute volume distribution into a relaxed mesh. Then, an interface reconstruction step is performed to redefine the interface in the relaxed mesh. We must point out that the interface carried over is also a solution of interface reconstruction because all the volume fractions in the relaxed mesh are naturally matched. We provide an interface tracking method compatible with our reconstruction scheme, where it is granted to use the prior info as an initial guess to capture sub-mesh resolution features. As a result, we are able to treat multiple facets inside a single mixed cell and obtain highly accurate, non-diffusive solution for advection problems with rather coarse meshes. We show our solutions for two-dimensional incompressible flows with two materials with a) the X + O diagonal translation; b) the Zalesak rotational test; and c) the single vortex spiral test.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Autonomous Inspection of Geologic Repositories: Current State of the Art and Future Directions

Geological repositories for nuclear waste, including spent nuclear fuel, present a significant challenge for traditional International Atomic Energy Agency (IAEA) safeguards tools due to their inaccessibility and demanding operational conditions. The IAEA has been working closely with Member State organizations currently involved in repository construction and planning, including Euratom, the Finnish and Swedish regulatory authorities, and relevant facility operators. However, the verification challenge remains unsolved, and there persists an out- standing need for tools and approaches that will help the IAEA verify that no nuclear material is diverted from a repository environment. The challenge is also not static. Activities must encompass verification of the design, prior to and during the construction/operation phase, and post backfill. Throughout these various phases, it is imperative that the IAEA maintains a continuity of knowledge (CoK) of all material including information on material inventory and flow. This paper highlights these challenges and outlines how they might be addressed by using remote or autonomous vehicles. Specifically, we discuss the current state of the art in robotic autonomy for known or partially known environment mapping and patrolling, as well as shared autonomy, where humans collaborate with closed loop autonomation to complete tasks. We explore the feasibility of using rovers for these verification tasks, along with the challenges associated with system implementation. Hardware and software suggestions are provided based on the adoption of similar technologies in other comparable areas and ability to close technical gaps. Lastly, human-robotic interactions are considered based on the challenges of the environment of the repository and effective deployment and continued operation of the robot system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Z Line VISAR Analysis with the LineVISAR SMASH Class

The Z line VISAR system (ZLV) is a spatially-resolved velocimeter that measures surface velocities in high-energy density experiments on the Z Pulsed Power Facility to facilitate the investigation of fusion, power flow, and dynamic material physics. The data measured in these experiments are analyzed with the LineVISAR SMASH class, a MATLAB software suite that provides tools for data importation, streak image correction, spatiotemporal registration, wrapped phase computation, phase unwrapping, shock handling, and velocity calculation. This report overviews the LineVISAR class, discusses its use, provides example implementations, and supplies analysis specifics not typically recorded in journal publications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Examining Autonomous Inspection of Geologic Repositories

Geological repositories for nuclear waste, including spent nuclear fuel, present a significant challenge for traditional International Atomic Energy Agency (IAEA) safeguards tools due to their inaccessibility and demanding operational conditions. The IAEA has been working closely with Member State organizations currently involved in repository construction and planning including Euratom, the Finnish and Swedish regulatory authorities, and relevant facility operators. However, the verification challenge remains unsolved, and there persists an out-standing need for tools and approaches that will help the IAEA verify that no nuclear material is diverted from a repository environment. The challenge is also not static as activities must encompass verification of the design prior to and during the construction/operation phase, and post backfill. Throughout these various phases, it is imperative that the IAEA maintains a continuity of knowledge (CoK) of all material, including information on material inventory and flow. This paper highlights these challenges and outlines how they might be addressed by using remote or autonomous vehicles. Specifically, it discusses the current state of the art in robotic autonomy for known or partially known environment mapping and patrolling, as well as shared autonomy, where humans collaborate with closed loop autonomation to complete tasks. The feasibility of using rovers for these verification tasks is explored, along with the challenges associated with system implementation. Hardware and software suggestions are provided based on the adoption of similar technologies in other comparable areas and ability to close technical gaps. Finally, human-robotic interactions are considered based on the challenges of the environment of the repository and effective deployment and continued operation of the robot system

autonomous monitoring↗

DOE OSTI2024

Regime shifts in Arctic terrestrial hydrology manifested from impacts of climate warming

Abstract. Anthropogenic warming in the Arctic is causing hydrological cycle intensification and permafrost thaw, with implications for flows of water, carbon, and energy from terrestrial biomes to coastal zones. To better understand the likely impacts of these changes, we used a hydrology model driven by meteorological data from atmospheric reanalysis and two global climate models for the period 1980–2100. The hydrology model accounts for soil freeze–thaw processes and was applied across the pan-Arctic drainage basin. The simulations point to greater changes over northernmost areas of the basin underlain by permafrost and to the western Arctic. An acceleration of simulated river discharge over the recent past is commensurate with trends drawn from observations and reported in other studies. Between early-century (2000–2019) and late-century (2080–2099) periods, the model simulations indicate an increase in annual total runoff of 17 %–25 %, while the proportion of runoff emanating from subsurface pathways is projected to increase by 13 %–30 %, with the largest changes noted in summer and autumn and across areas with permafrost. Most notably, runoff contributions to river discharge shift to northern parts of the Arctic Basin that contain greater amounts of soil carbon. Each season sees an increase in subsurface runoff; spring is the only season where surface runoff dominates the rise in total runoff, and summer experiences a decline in total runoff despite an increase in the subsurface component. The greater changes that are seen in areas where permafrost exists support the notion that increased soil thaw is shifting hydrological contributions to more subsurface flow. The manifestations of warming, hydrological cycle intensification, and permafrost thaw will impact Arctic terrestrial and coastal environments through altered river flows and the materials they transport.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Autonomous Monitoring of Nuclear Repositories: Current State of the Art and Future Directions

Geological repositories for nuclear waste, including spent nuclear fuel, present a significant challenge for traditional International Atomic Energy Agency (IAEA) safeguards tools due to their inaccessibility and demanding operational conditions. The IAEA has been working closely with Member State organizations currently involved in repository construction and planning, including Euratom, the Finnish and Swedish regulatory authorities, and relevant facility operators. However, the verification challenge remains unsolved, and there persists an out- standing need for tools and approaches that will help the IAEA verify that no nuclear material is diverted from a repository environment. The challenge is also not static. Activities must encompass verification of the design, prior to and during the construction/operation phase, and post backfill. Throughout these various phases, it is imperative that the IAEA maintains a continuity of knowledge (CoK) of all material including information on material inventory and flow. This paper highlights these challenges and outlines how they might be addressed by using remote or autonomous vehicles. Specifically, we discuss the current state of the art in robotic autonomy for known or partially known environment mapping and patrolling, as well as shared autonomy, where humans collaborate with closed-loop autonomation to complete tasks. We explore the feasibility of using rovers for these verification tasks, along with the challenges associated with system implementation. Hardware and software suggestions are provided based on the adoption of similar technologies in other comparable areas and ability to close technical gaps. Lastly, human-robotic interactions are considered based on the challenges of the environment of the repository and effective deployment and continued operation of the robot system.

geologic repository, safeguards, IAEA, Robotics↗

DOE OSTI2021

Method for Forming Hollow Profile Non-Circular Extrusions Using Shear Assisted Processing and Extrusion (ShAPE)

A process for forming extruded products using a device having a scroll face configured to apply a rotational shearing force and an axial extrusion force to the same preselected location on material wherein a combination of the rotational shearing force and the axial extrusion force upon the same location cause a portion of the material to plasticize, flow and recombine in desired configurations. This process provides for a significant number of advantages and industrial applications, including but not limited to extruding tubes used for vehicle components with 50 to 100 percent greater ductility and energy absorption over conventional extrusion technologies, while dramatically reducing manufacturing costs.

Joshi, Vineet V.↗

DOE OSTI2022

Life Cycle Assessment for Closed-Loop Pumped Hydropower Energy Storage in the United States

The federal government has initiated an aggressive set of policies to achieve a net-zero carbon emission goal for the electricity sector by 2050. As a result, rapid growth in deployment of renewable energy technologies is expected. Most commercially mature technologies are temporally variable and do not provide grid inertia, while renewable technologies with high projected deployment have intermittent generation methods. Energy storage technologies are needed to both dispatch power on-demand and help provide the needed grid inertia. Pumped storage hydro (PSH) is a well-established technology that has gained renewed interest in recent years offering energy-balancing, grid stability, control of electrical network frequency, and large-scale storage capacity. For widespread adoption of PSH, more information is needed regarding its current life cycle environmental impacts. The objective of this study is to perform a full life cycle assessment (LCA) of new closed-loop PSH in the U.S. The functional unit for this study is 1 kWh of electrical power delivered to the grid and the base case project lifetime is 80 years. The life cycle inventory for this project accounts for all material and energy flows associated with the green-field construction, operation, maintenance, and decommissioning of a closed-loop PSH plant in the U.S. Collected data represents a range of potential PSH specifications and geographic locations coming from all prospective closed-loop PSH installations in the U.S. with data available. In addition, existing PSH installations are used to provide assumptions for inventory inputs. Results presented will include the global warming potential (GWP IPCC 100a) and Energy Return on Investment (EROI) from our base case (average PSH installation) as well as from scenario analyses and model sensitivity. These results will be compared to the impacts from existing PSH sites and alternate storage technologies. Methods align with the assumptions and guidelines put in place by previous PSH LCAs to ensure an accurate comparison with the results from this report.

ENERGY PLANNING, POLICY, AND ECONOMY,HYDRO ENERGY↗

DOE OSTI2022

Method for forming hollow profile non-circular extrusions using shear assisted processing and extrusion (ShAPE)

Joshi, Vineet V.↗

DOE OSTI2023

Volatile organic compound detection device

A volatile organic compound detection device includes a collector comprising: a collector material configured to collect volatile organic compounds given off from a patient's skin; a heater comprising a heating element, the heating element configured to emit a thermal pulse to desorb the volatile organic compounds from the collector material; and a flow channel configured to receive the volatile organic compounds desorbed by the heater; and a fastener configured to secure the collector to the patient's skin.

Arnold, Gary Stephen↗

DOE OSTI2022

Environmental Life Cycle Assessment of Electricity from PV Systems: 2021 Data Update

PV Life Cycle Assessment (LCA) is a structured, comprehensive method of quantifying and assessing material and energy flows and their associated emissions from manufacturing, transport, installation, use and end of life. This is the second version of this Fact Sheet, published in 2022 based on the 2021 update of the LCA database.

carbon emissions↗