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DOE OSTI2023

NETL Direct Air Capture Center

In 2022 Congress authorized the $25M National Energy Technology Laboratory Direct Air Capture Center. The facility will be specifically targeted at accelerating the commercialization of technologies beyond the conceptual stage which have not yet reached full pilot-scale (TRL 3 to 6). The ability to operate over a wide range of conditions will help the developers to understand how their technologies respond in different climates, from summer to winter and arid to tropical. NETL recognizes that DAC technology is still early in its evolution, and a wide variety of highly varied technologies are being explored. The Center will be designed with substantial flexibility to accommodate the rapidly evolving technological landscape. Testing systems at three scales will be included: lab-scale systems designed to examine the long-term stability of DAC materials, bench-scale module testing systems capable of probing flow dynamics, and small pilot-scale skid rooms able to test prototype DAC units under a wide variety of climate conditions. The NETL DAC Center will feature dedicated engineering, technician, scientific and logistical support for experimental system design, installation, operation of experiments, and interpretation of results for projects including but not limited to kinetics of absorption/desorption, thermal duty, and post-mortem elemental characterization to understand degradation. The NETL DAC Center projects will also have access to dedicated process modeling and analysis to evaluate the technoeconomic aspects of new technologies. NETL’s Systems Engineering and Analysis (SEA) team, the Carbon Capture Simulation Initiative (CCSI), and the Institute for the Design of Advanced Energy Systems (IDAES) are all potential collaborators with NETL’s testing partners from industry, academia, and other research institutions. NETL also has world class capabilities in device scale modeling (i.e., MFIX) that will be available to help design more efficient contactors and optimize unique internal configurations that can be realized by advanced manufacturing. The talk will cover the design and capabilities of the center, the planned availability, and feedback will be solicited from the audience on DAC testing needs.

Luebke, David↗

DOE OSTI2023

Accelerating commercialization of direct air capture technology

Luebke, David↗

DOE OSTI2024

RESCue Model (RESCue Experiment and Model) [SWR-24-84]

The Renewable Energy and Storage Cybersecurity Research (RESCue) project is a collaborative effort aimed at securing the rapidly growing deployment of transmission-connected hybrid renewable energy systems, consisting of a combination of wind, solar, and/or energy storage equipment, against escalating cyber threats. This project brings together major original equipment manufacturers (OEMs) of wind, solar, and energy storage, along with major asset owners and DOE National Laboratories, to collectively identify cyber threats, assess risks, and develop robust cybersecurity strategies and solutions. The development of hybrid reference architectures has provided comprehensive blueprints for the secure design and integration of hybrid renewable energy systems, accounting for their unique characteristics and interdependencies. Additionally, NREL has created a cyber-resilient design framework that integrates cybersecurity considerations from the start of the system lifecycle, ensuring security is "baked in" from the initial design phase. The research thrusts for the project included (i) development of hybrid reference architectures and (ii) a cyber-resilient design framework for hybrid energy systems. The reference architectures has provided comprehensive blueprints for the secure design and integration of hybrid renewable energy systems, accounting for their unique characteristics and interdependencies. Additionally, NREL has created a cyber-resilient design framework that integrates cybersecurity considerations from the start of the system lifecycle, ensuring security is "baked in" from the initial design phase. A demonstration experiment was developed for one of the architectures using NREL's Cyber Range resources. This experiment configuration, deployable using open-source tools, is provided here in this repository. Additional models were developed for the wind and solar architectures as well, however the configurations for only the Energy Storage scenario are provided here: https://www.nrel.gov/docs/fy24osti/89921.pdf

Hasandka, Adarsh↗

DOE OSTI2022

Electron Cooling Experiment for Proton Beams with Intense Space-Charge in IOTA

Electron cooling as a method of creating intense ion beams has a practical upper limit when it comes to the peak phase space density of ion beams which can be achieved in practice. We describe a new experiment to study electron cooling of 2.5 MeV protons at the intensity limit using the Integrable Optics Test Accelerator (IOTA), which is a storage ring dedicated to beam physics research at Fermilab. This system will enable the study of magnetized electron cooling of a proton beam with transverse incoherent tune shifts approaching -0.5 due to the presence of intense space-charge forces. We present an overview of the hardware design, simulations and specific experiments planned for this project.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Novel Electrowinning Reactor for the Energy-Efficient, Low- Cost Production of Rare Earth Metals

This project developed a novel neodymium (Nd) electrowinning reactor for energy-efficient electrowinning of Nd metal. Throughout this project we have developed an alternative chloride based molten salt electrolysis process. Our process lowers the specific electrical energy consumption compared to the state of the art, while producing reusable chlorine gas and eliminating direct CO2 and PFC emissions. Facilities required for implementing the project were setup and designs were finalized, and a standard operating procedure for safe operation of high temperature electrolysis cells was written. The electrowinning reactor was designed and constructed. Electrolysis experiments confirmed the ability to reproducibly electrowin Nd metal on a Mo cathode. The current efficiency for Nd electrowinning was measured as a function of applied current density in the presence of the separator. Successful electrowinning of Nd sponge at high current densities (200 mA/cm2 and above) at a current efficiency >80% was demonstrated using multiple techniques. Stable Nd electrowinning up to 10h at 250 mA/cm2 was demonstrated. All of these design advancements were used to develop a techno-economic and life cycle assessment model that demonstrated that our process could be operated at cost of less than $0.20/kg-Nd (~30% lower compared to state of the art when comparing electrolysis energy cost) with a >20% total reduction in global warming potential compared to the state of the art while generating no direct CO2 or perfluorocarbon emissions.

42 ENGINEERING↗

DOE OSTI2022

A Length Adaptive Algorithm-Hardware Co-design of Transformer on FPGA Through Sparse Attention and Dynamic Pipelining

Transformers are considered one of the most important deep learning models since 2018, in part because it establishes state-of-the-art (SOTA) records and could potentially replace existing Deep Neural Networks (DNNs). Despite the remarkable triumphs, the prolonged turnaround time of Transformer models is a widely recognized roadblock. The variety of sequence lengths imposes additional computing overhead where inputs need to be zero-padded to the maximum sentence length in the batch to accommodate the parallel computing platforms. This paper targets the field-programmable gate array (FPGA) and proposes a coherent sequence length adaptive algorithm–hardware co-design for Transformer acceleration. Particularly, we develop a hardware-friendly sparse attention operator and a length-aware hardware resource scheduling algorithm. The proposed sparse attention operator brings the complexity of attention-based models down to linear complexity and alleviates the off-chip memory traffic. The proposed length-aware resource hardware scheduling algorithm dynamically allocates the hardware resources to fill up the pipeline slots and eliminates bubbles for NLP tasks. Experiments show that our design has very small accuracy loss and has 80.2 × and 2.6 × speedup compared to CPU and GPU implementation, and 4 × higher energy efficiency than state-of-the-art GPU accelerator optimized via CUBLAS GEMM.

Peng, Hongwu↗

DOE OSTI2025

Characterization of Heat Transfer in a Trapped-Vortex Combustor Designed for High-Temperature Material Testing

Next generation gas turbines will reduce carbon emissions by improving their cycle efficiencies and implementing hydrogen as a low-carbon fuel. The combined-cycle efficiency can be improved by increasing the combustor outlet temperature and decreasing the cooling air required for hot-section parts. Ultra-high temperature ceramic matrix composites (CMC) can survive increasingly extreme environments due to their strong mechanical properties at expected conditions. The introduction of CMCs in high-hydrogen flame environments requires testing at realistic conditions that mimic the thermochemical and fluid mechanic states in gas-turbine combustors. In this work, we describe a new experiment that has been designed to test high-temperature materials in a combustor-relevant environment. Its trapped-vortex combustor chamber design allows for high levels of fuel flexibility and wide flame stability limits. Testing of monolithic silicon carbide (SiC) samples in this environment was done to characterize the heat transfer to material samples over a wide range of operating conditions, including variations in fuel composition and thermal power. Heat flux measurements were verified in non-reacting and reacting environments after which they were benchmarked with previous literature to verify the operation of the facility with heated air. Testing in combustor-relevant conditions shows high levels of heat flux to the material samples in the combustor, particularly downstream of the anchored flame.

Richins, Porter [Pennsylvania State University , ,↗

DOE OSTI2021

Automating Bayesian inference and design to quantify acoustic particle levitation

Self-propulsion of micro- and nanoparticles powered by ultrasound provides an attractive strategy for the remote manipulation of colloidal matter using biocompatible energy inputs. Quantitative understanding of particle motion and its dependence on size, shape, and composition requires accurate characterization of the acoustic field, which depends sensitively on the experimental setup. Here, we show how automated experiments based on Bayesian inference and design can accurately and efficiently characterize the acoustic field within resonant chambers used to propel acoustic nanomotors. Repeated cycles of observation, inference, and design (OID) are guided by a physical model that describes the rate at which levitating particles approach the nodal plane. Using video microscopy, we observe the relaxation of tracer particles to this plane following the application of the acoustic field. We use sequential Monte Carlo methods to infer model parameters such as the amplitude and frequency of the resonant chamber while accounting for particle-level measurement noise and population-level heterogeneity in the field. Guided by simulated outcomes, we select the optimal design for the next experiment as to maximize the information gain in the relevant parameters. We show how this iterative process serves to discriminate between competing hypotheses and efficiently converges to accurate parameter estimates using only few automated experiments. We discuss the need for model criticism to ensure the validity of the guiding model throughout automated cycles of observation, inference, and design. Furthermore, this work demonstrates how Bayesian methods can learn the parameters of nonlinear, hierarchical models used to describe video microscopy data of active colloids.

42 ENGINEERING↗

DOE OSTI2026

High-Temperature SiC Cladding End Plug Irradiation Design and HFIR Readiness

This report documents the design of a High Flux Isotope Reactor (HFIR) irradiation experiment intended to evaluate irradiation effects on the hermeticity of silicon carbide (SiC) end plug specimens under a radial fast neutron flux gradient at representative light-water reactor (LWR) temperatures of approximately 300 °C. The overarching goal of this work is to statistically evaluate SiC end plug hermeticity and mechanical properties following irradiation using the high-throughput irradiation capability discussed here. Each specimen consists of a short section of SiC fiber–reinforced SiC (SiC/SiC) tube with a single monolithic SiC end plug joined to one end. The experiment allows up to 66 specimens to be irradiated in six different stacks within a dry, sealed irradiation capsule derived from the previously developed high-temperature SiC/SiC cladding bowing experiment. The neutronics basis, thermal analysis, and HFIR readiness of the experiment are discussed in this report for two possible design cases. The first design case is based on existing approval documentation and components that are on hand and approved for use, so the experiment insertion would require only specimen receipt, specimen pre-irradiation characterization, experiment assembly, and final fabrication package approval. The second design case provides improved thermal robustness and the preferred end plug geometry but requires fabrication of a modified holder and revisions to the HFIR approval documentation, in addition to the other activities required for the first design case, before insertion.

Hott, Daniel [Oak Ridge National Laboratory (ORNL)↗

DOE OSTI2020

Conceptual Design of DUNE Near Detector Superconducting Magnet System

The Deep Underground Neutrino Experiment (DUNE) has formed a near detector design group (NDDG) tasked with delivering a CDR by the end of 2019. The DUNE Near Detectors will be housed in an underground hall on the Fermilab site. The two main detector systems are a liquid argon detector and a high-pressure gas time projection chamber (HPgTPC). The HPgTPC requires a magnet that generates a 0.5 T solenoidal magnetic field in a large volume of 6 m diameter, and 5 m length. Herein, we present a superconducting magnet system design. We investigated: an open air core magnet with three coils, and a five coils system having two active fringe field shielding coils. Coils positions were optimized to obtain the specified field homogeneity in the magnet good field region, while minimizing the Lorentz forces and the superconductor volume. We discuss the magnetic, mechanical, and thermal conceptual designs.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose

The outstanding mechanical properties, light weight, and biodegradability of cellulose nanofibrils (CNFs) make them promising components of renewable and sustainable next-generation reinforced composite biomaterials and bioplastics. Manufacturing CNFs at a pilot scale requires disc-refining fibrillation of dilute cellulose fibers in aqueous pulp suspensions to shear the fibers apart into their nanodimensional forms, which is, however, an energy-intensive process. Here, in this study, we used atomistic molecular dynamics (MD) simulation to examine media that might facilitate the reduction of interactions between cellulose fibers, thereby reducing energy consumption in fibrillation. The most suitable medium found by the simulations was an aqueous solution with 0.007:0.012 wt.% NaOH:urea, and indeed this was found in pilot-scale experiments to reduce the fibrillation energy by ~21% on average relative to water alone. The NaOH:urea-mediated CNFs have similar crystallinity, morphology, and mechanical strength to those formed in water. The NaOH and urea act synergistically on CNFs to aid fibrillation but at different length scales. NaOH deprotonates hydroxyl groups leading to mesoscale electrostatic repulsion between fibrils, whereas urea forms hydrogen bonds with protonated hydroxyl groups thus disrupting interfibril hydrogen bonds. This suggests a general mechanism in which an aqueous medium that contains a strong base and a small organic molecule acting as a hydrogen-bond acceptor and/or donor may be effectively employed in materials processes where dispersion of deprotonable polymers is required. The study demonstrates how atomic-detail computer simulation can be integrated with pilot-scale experiments in the rational design of materials processes for the circular bioeconomy.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Chasing Fast Dynamos in the Plasma Lab

Self-generating magnetic field research is performed through the operation of the newly built Madison Plasma Dynamo Experiment (MPDX). MPDX is designed to explore a hitherto unexplored part of parameter space where dynamos operate in nature. Dynamos are systems which continuously transform kinetic energy from plasma flow into magnetic energy. Before this project, MPDX had demonstrated the ability to create steady-state, unmagnetized high conductivity, low viscosity plasmas in the lab and shown that sheared flows can be driven from the plasma boundary using an electrostatic stirring technique; the resulting Reynolds numbers and Alfvén Mach numbers easily match those required for our dynamo scenarios. The research activities included: (1) systematic undertaking of a set of plasma hydrodynamics experiments, exploring several different flow geometries, measuring plasma viscosity, how toroidal and poloidal flows self-consistently interact, observing the transition to turbulence and experimentally understanding the boundary conditions (on flow and magnetic field) that make this system unique, (2) searching for slow, laminar dynamos, and (3) searching for fast, turbulent dynamos. Discovering the conditions under which dynamos self-generate magnetic fields and then understanding how this field changes plasma dynamics is one of the most compelling questions in all of plasma astrophysics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

High-throughput spin-bath characterization of spin defects in semiconductors

Detailed knowledge of the local environments of spin defects in semiconductors, such as nitrogenvacancy (NV) centers in diamond or divacancies in silicon carbide, is crucial for optimizing control and entanglement protocols in quantum sensing and information applications. However, at present a direct experimental characterization of individual defect environments is not scalable, as conventional spin-bath measurements are time consuming and difficult to automate. Achieving high-throughput characterization requires short experiments to probe the spin bath. However, with fewer and noisier measurements, the inverse problem of recovering spin-bath properties from measured data becomes ill posed, with multiple spin baths having a high likelihood of yielding the same data. In this work, we present a set of computational tools to resolve the ill-posed inverse problem of recovering the atomic positions and hyperfine couplings of random nuclei surrounding spin defects from sparse, noisy experimental coherence data, which can be obtained in hours. Here, we use a trans-dimensional Bayesian approach that incorporates ab initio data to yield full posterior distributions over nuclear spin environments, enabling robust recovery from limited data. We also provide practical tools and guidelines to determine the limits of detectability for hyperfine couplings under specific dynamical decoupling sequences and sampling conditions. In addition, we demonstrate how the tools developed here, in combination with ab initio simulations of spin baths, can guide the design of efficient experimental protocols for application-specific high-throughput screening. To showcase the utility of our approach, we apply it to design fast dynamical decoupling experiments to characterize the spin baths often individual NV centers in diamond. While the primary focus is on accelerating spin-bath characterization of spin defects, this Bayesian approach also lays the foundation for digital-twin studies of spin defects, where a virtual model of the spin-defect system evolves in real time with ongoing experimental measurements. Together, the set of tools we designed and applied paves the way for scalable deployment of spin defects in semiconductors for quantum sensing and information applications.

Bayesian methods↗

DOE OSTI2025

AGR-5/6/7 Irradiation Test Final As-run Report

This document presents the as-run analysis of the Advanced Gas Reactor (AGR)-5/6/7 irradiation experiment. AGR-5/6/7 is the last of a series of experiments conducted in the Advanced Test Reactor (ATR) at Idaho National Laboratory in support of the development and qualification of tri-structural isotropic low-enriched fuel for use in high-temperature gas-cooled reactors. The test train contained five separate capsules that were independently controlled and monitored. Each capsule contained multiple 24.91-mm-long and 12.25-mm-dimeter compacts filled with low-enriched uranium carbide/oxide tri-structural isotropic fuel particles. The objectives of the AGR-5/6/7 experiment were to: • Irradiate reference-design fuel particles to support fuel qualification. • Establish operating margins for the fuel, beyond normal operating conditions. • Provide irradiated-fuel performance data and irradiated-fuel samples for post-irradiation examination and safety testing. The primary objective of the AGR-5/6 test (Capsules 1, 2, 4, and 5) was to verify the successful performance of the reference-design fuel under normal operating conditions. The AGR-7 test (Capsule 3) was designed to explore fuel performance at higher temperatures. Its primary objective was to demonstrate the capability of the fuel to withstand conditions beyond normal operating conditions, in support of plant design and licensing. AGR-5/6/7 will also provide irradiated-fuel performance data based on the fission gas release from particles during irradiation. To achieve the test objectives, the AGR-5/6/7 experiment was irradiated in the northeast flux trap of the ATR with a planned duration of 500 effective full-power days. The northeast flux trap was selected because its larger diameter provided greater flexibility for test-train design compared to the Large B positions used for the AGR-1 and AGR-2 irradiations, significantly enhancing test capabilities for the combined irradiation campaigns. Due to delays in the ATR schedule, the AGR-5/6/7 irradiation was significantly shorter than the originally planned 13-cycle schedule. Irradiation began on February 16, 2018 and ended on July 22, 2020, spanning nine ATR cycles (162B–168A) over two and a half years. Thus, the AGR-5/6/7 fuel compacts were irradiated for a total of approximately 360.9 effective full-power days. Final burnup values, on a per-compact basis, ranged from 5.66 to 15.26% fissions per initial heavy metal atom, while fast fluence values ranged from 1.62 to 5.55 × 1025 n/m2 (E >0.18 MeV). Time-averaged volume-averaged fuel temperatures on a capsule basis at the end of irradiation ranged from 756°C in Capsule 5 to 1313°C in Capsule 3 excluding days with significantly lower temperature during the two short powered axial locator mechanism cycles, 163A and 167A. By the end of irradiation, 48 out of 54 installed thermocouples had failed (the bottom three capsules lost all thermocouples). During the first five cycles (162B – 165A), the fission-gas isotope release-rate-to-birthrate (R/B) ratios were stable in the 10-8–10-6 range, and no in-pile particle failures were observed based on the gross gamma counts. During this time, the high exposed kernel fraction and high fuel particle temperatures in Capsule 1 led to a maximum R/B value of around 2 ? 10-6 for Kr-85m. The fission gas release in all capsules started to increase from the second half of Cycle 166A, when a large number of in-pile particle failures occurred in Capsule 1 and a gas line problem in this capsule caused fission gas leakage at various degrees into the other four capsules. This gas line problem also prevented a fission gas release measurement for Capsule 1 during the last three cycles due to gas flow isolation. By the end of irradiation, it is estimated that approximately 15 particles failed in Capsule 3, which was considered possible because the experiment was designed to operate beyond the high-temperature gas-cooled reactor normal operating temperature range. A few hundred in-pile particle failures were estimated for Capsule 1 by the end of Cycle 166A, but the total number of failures is unknown due to the lack of fission gas release data in the later cycles. Additionally, four potential in-pile failures were identified for Capsule 2 during the last cycle, Cycle 168A. In contrast, no in-pile failures were identified in the top two capsules (4 and 5) based on the absence of the typical spikes in gross gamma counts and low failure estimates using the AGR-3/4 R/B per exposed kernel model.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Optimization of Backscatter and Symmetry for Laser Fusion Experiments Using Multiple Tunable Wavelengths

A new additional wavelength-tuning capability has been implemented on the National Ignition Facility (NIF) laser allowing for unprecedented control of crossed-beam energy transfer (CBET) between all groups of beams for better performance of indirect-drive inertial confinement fusion (ICF) ignition experiments. In particular, this advance allows for negation and reversal of flow-induced CBET and the rebalancing of the intensity of different groups of beams within an indirect-drive (ICF) hohlraum. The experiments conducted at the NIF using a 1.1 MJ laser pulse with peak power of 390 TW demonstrate this high level of control through measurements of the precise changes to stimulated Brillouin scattering, typically driven by flow-induced CBET at the end of the pulse. Additionally, this new capability is shown to be able to predictably control gold-wall plasma expansion in the target driven by early-time flow-induced CBET. Estimates of early-time CBET from the wall expansion are shown to be consistent with simulation expectations. This new additional capability to control symmetry and backscatter expands the design space of current experiments and provides extra margin for increased laser energy in near-future experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Multidisciplinary Design, Analysis, and Optimization (MDO) for Co-Designed Transmission & Distribution Electric Grid Planning

This paper describes early experiences and example use cases applying multi-disciplinary design analysis and optimization (MDO) to the integrated design of power grids. Adapted from aerospace, MDO enables combining multiple existing tools into a coordinated optimization. Here we use MDO to simultaneously capture integrated transmission-distribution and investment-engineering trade-offs in an automated framework. Example use cases showcase prototype interactions among existing grid models using MDO and hint at the types of integrated analyses enabled by this approach. In addition, we share experiences and thoughts on grid-specific challenges and opportunities to help advance further work in this area.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Physical Regime Sensitivity

Abstract This work presents a novel sensitivity approach that quantifies sensitivity to regimes of a model’s state variables rather than constitutive model parameters. This Physical Regime Sensitivity (PRS) determines which regimes of a model’s independent variables have the biggest influence on an experiment or application. PRS analysis is demonstrated on a strength model used in the simulation of a copper Taylor cylinder. In a series of simulations, the strength model was perturbed sequentially in local regimes of plastic strain, plastic strain rate, temperature and pressure, and then the prediction of cylinder shape was compared to unperturbed calculations. Results show, for example, that the deformed length of the cylinder was most sensitive to strength at a strain rate of 1.0 × 10 4 /sec., but the deformed footprint radius was most sensitive to strength at a strain rate of about 4.0 × 10 4 /sec. Compared to current histogram approaches, PRS can be used to design or interpret integrated experiments by identifying not just which regimes are accessed somewhere in the experiment but the causality question of which regimes actually affect the measured data. PRS should allow one to focus experimental and modeling efforts where they are most needed and to better interpret experiments.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Dark matter detection capabilities of a large multipurpose Liquid Argon Time Projection Chamber

Liquid Argon Time Projection Chambers are planned to comprise a central role in the future of the U.S. High Energy Physics neutrino program. In particular, this detector technology will form the basis for the 40 kton Deep Underground Neutrino Experiment (DUNE) . Here in this paper we take as a starting point the dual phase far detector design proposed by the DUNE experiment and ask what changes are necessary to allow one of the four 10 kt modules to be sensitive to heavy Weakly Interacting Massive Particle (WIMP) dark matter. We show that with control over backgrounds and the use of low radioactivity argon, which may be commercially available on that timescale, along with a significant increase in light detection, one DUNE-like module gives a competitive WIMP detection sensitivity, particularly above a dark matter mass of 100 GeV.

47 OTHER INSTRUMENTATION↗