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DOE OSTI2023

Wafer-Scale Synthesis of 2D Materials by an Amorphous Phase-Mediated Crystallization Approach

The interest in the wafer-scale growth of two-dimensional (2D) materials, including transition metal dichalcogenides (TMDCs), has been rising for transitioning from lab-scale devices to commercial-scale systems. Among various synthesis techniques, physical vapor deposition, such as pulsed laser deposition (PLD), has shown promise for the wafer-scale growth of 2D materials. However, due to the high volatility of chalcogen atoms (e.g., S and Se), films deposited by PLD usually suffer from a lack of stoichiometry and chalcogen deficiency. To mitigate this issue, excess chalcogen is necessary during the deposition, which results in problems like uniformity or not being repeatable. This study demonstrates a condensed-phase or amorphous phase-mediated crystallization (APMC) approach for the wafer-scale synthesis of 2D materials. This method uses a room-temperature PLD process for the deposition and formation of amorphous precursors with controlled thicknesses, followed by a post-deposition crystallization process to convert the amorphous materials to crystalline structures. This approach maintains the stoichiometry of the deposited materials throughout the deposition and crystallization process and enables the large-scale synthesis of crystalline 2D materials (e.g., MoS 2 and WSe 2 ) on Si/SiO 2 substrates, which is critical for future wafer-scale electronics. We show that the thickness of the layers can be digitally controlled by the number of laser pulses during the PLD phase. Optical spectroscopy is used to monitor the crystallization dynamics of amorphous layers as a function of annealing temperature. The crystalline quality, domain sizes, and the number of layers were explored using nanoscale and atomistic characterization (e.g., AFM, STEM, and EDS) along with electrical characterization to explore process–structure–performance relationships. Finally, this growth technique is a promising method that could potentially be adopted in conventional semiconductor industries for wafer-scale manufacturing of next-generation electronic and optoelectronic devices.

2D electronics↗

DOE OSTI2016

Effects of Coolant Void Condition on Melt Fragmentation using Simulants in Initial Phase of Metal-fueled SFR Severe Accident

Metal fuel has inherent safety characteristics, especially in severe accident conditions. However, the metal-fueled SFR severe accident scenarios need to be categorized since overall severe accident mitigation strategies have not been prepared. In addition, these mitigation strategies should be classified in specific phases. In an initial phase of metal-fueled SFR severe accident scenarios, fuel melting, and cladding failures would occur. After the occurrence of the cladding breach, the molten metal fuel would be ejected into a coolant channel due to fission gas in fuel cavity or rapid evaporation of sodium bond. This is called Ex-pin phenomena. There are few studies considering the Ex-pin phenomena of metal fuel. Related representative studies are transient reactor test facility (TREAT) M series tests. The TREAT M series tests provided fundamental metal fuel performance in transient condition. They informed partial experimental data such as the amount of melt ejected into coolant channel after the cladding failure. However, these experimental data did not examine the melt behavior during the Ex-pin phenomena. In metal-fueled SFR, it is a known fact that the negative reactivity feedback occurs in the initial phase of severe accident. In an unprotected loss-of-flow (ULOF) accident, the void-reactivity feedback may be positive depending on where in the reactor core the sodium voiding occurs. However, molten metal fuel would be better dispersed upward compared to those of an oxide fuel and significant negative reactivity feedback could be induced through such behaviors. Thus, a key safety strategy to mitigate the accident progression at the initial phase of severe accident is to discharge melt upwards out of the core. In this paper, the upward discharge of melt is defined as melt levitation. Such melt levitation could ensure early termination of severe accident. There could be different melting behaviors inside the pin depending on reactor types or the type of fuel. In case of pressurized water reactor (PWR) oxide fuel-water system, the rapid power excursion would initiate melting of fuel at the surface of the pellets. In this paper, the ULOF accident for the metal-fueled SFR is considered as an accident scenario. To induce the melt levitation, the driving force should be clarified. Heo et al. observed a built-up vapor pressure was suggested as one of the driving forces for the upward dispersion of the molten materials. The following factors also have the potential to induce the melt levitation; the pressure induced by fission gas in the cavity or rapid boiling of sodium bond, natural circulation flow of the sodium, the sodium vapor flow generated by the difference between inlet and outlet plenum in the reactor core, the built-up vapor pressure due to the fuel-coolant interaction etc. These factors are balanced each other. They should be examined through the Ex-pin experiments. Before conducting a parametric study for each factor, the general behavior of the molten metal fuel should be investigated in the coolant channel. Since rapid sodium coolant boiling could occur in the initial phase of severe accident scenarios, the molten fuel would be ejected and fragmented in voided channel. Unlike previous studies concerning an un-voided channel, differences in melt behavior in the voided channel are expected. In present study, molten material behavior was evaluated to reveal their characteristics in voided channel. The Ex-pin experiments were performed in both un-voided and voided channel, thus such behavior differences were explicitly observed. In the lab-scale experiments, the un-voided and voided channel were reflected by coolant-filled and air-filled channel, respectively. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2026

Identifying materials-level sources of performance variation in superconducting transmon qubits

The Superconducting Quantum Materials and Systems Center, a U. S. Department of Energy National Quantum Information Science Research Center, has conducted a comprehensive and coordinated study using superconducting transmon qubit chips with known performance metrics to identify the underlying materials-level sources of device-to-device performance variation. Following qubit coherence measurements, these qubits of varying base superconducting metals and substrates have been examined with various non-destructive and invasive material characterization techniques at Northwestern University, Ames National Laboratory, and Fermilab as part of a blind study. We find trends in variations of the depth of the etched substrate trench, the thickness of the surface oxide, and the geometry of the sidewall, which when combined, lead to correlations with the T1 lifetime across different qubits on the same chip. In addition, we provide a list of features that varied from device to device, for which the impact on performance requires further studies. Finally, we identify two low-temperature characterization techniques that may potentially serve as proxy tools for qubit measurements. These insights provide materials-oriented solutions to not only reduce performance variations across neighboring devices but also to engineer and fabricate devices with optimal geometries to achieve performance metrics beyond the state-of-the-art values.

Murthy, Akshay A. [Fermilab] (ORCID:00000001767768↗

DOE OSTI2016

Nutrient cycling for biomass: Interactive proteomic/transcriptomic networks for global carbon management processes within poplar-mycorrhizal interactions

This project addresses the need to develop system-scale models at the symbiotic interface between ectomycorrhizal fungi (Laccaria bicolor) and tree species (Populus tremuloides) in response to environmental nutrient availability / biochemistry. Using our now well-established laboratory Laccaria x poplar system, we address the hypothesis that essential regulatory and metabolic mechanisms can be inferred from genomic, transcriptomic and proteomic-level changes that occur in response to environmental nutrient availability. The project addresses this hypothesis by applying state-of-the-art protein-level analytic approaches to fill the gap in our understanding of how mycorrhizal regulatory and metabolic processes at the transcript-level translate to nutrient uptake, carbon management and ultimate net primary productivity of plants. In most cases, these techniques were not previously optimized for poplar trees or Laccaria. Thus, one of the major contributions of this project has been to provide avenues for new research in these species by overcoming the pitfalls that had previously prevented the use of techniques such as ChIP-Seq and SWATH-proteomics. Since it is the proteins that sense and interact with the environment, participate in signal cascades, activate and regulate gene expression, perform the activities of metabolism and ultimately sequester carbon and generate biomass, an understanding of protein activities during symbiosis-linked nutrient uptake is critical to any systems-level approach that links metabolic processes to the environment. This project uses a team of experts at The University of Alabama in Huntsville (UAH), The University of Alabama at Birmingham (UAB) and Argonne National Laboratory (ANL) to address the above hypothesis using a multiple "omics" approach that combines gene and protein expression as well as protein modifications, and biochemical analyses (performed at Brookhaven National Laboratory (BNL)) in poplar trees under mycorrhizal and free living conditions. Together, the assembled team of experts completed all of the planned milestones set forth in this project. In addition to the planned approaches, several lines of exciting new research have also evolved during the course of this project that involved FTIR Imaging using the National Synchrotron Light Source at BNL. A summary of the approaches used in this project and key highlights are as follows: Having the right combination of microbes associated with plants is largely responsible for the plant’s ability to mine nutrients from the soil and to develop a strong “immune system”. Our current chemically focused and intensive culture tends to forget that plants obtain nutrients in two ways: (1) via water soluble chemical nutrients and (2) via the activity of acquired microbial symbionts. In healthy natural ecosystems, chemical nutrients are always in low abundance because the organisms within that system have already locked such nutrients away within the biological system itself. Thus, in nature it is the biological sources of nutrients and the microbes that have the capacity to mine those nutrients for their plant hosts that actually control the terrestrial nutrient cycles on this planet. Thus, a new push in the future may very well be to use our skills at elucidating complex patterns to strategically guide soil microbe communities to do what we want, essentially allowing nature to do the work of figuring out what is most efficient and effective for human needs. However, the findings of this project and other work in our lab lead to the hypothesis that the specific soil community composition is less important than the emergent properties of those communities. So, additional research into what soil communities are effective and how they are established will be key in developing human understanding of how to manipulate biological systems to meet human needs without causing undue damage to our environment.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

D and D Research on KM-IT Platform - 20494

The Knowledge Management Information Tool (KM-IT) is a web-based system developed to maintain and preserve the Department of Energy's (DoE's) knowledge base. The system was developed by Florida International University's Applied Research Center (FIU-ARC) with the support of the D and D community including the DOE Office of Environmental Management, and with the collaboration and support of the DoE's Energy Facility Contractors Group (EFCOG) and the former ALARA Centers at Hanford and Savannah. The KM-IT system is a community driven system tailored to serve the technical issues faced by the workforce across the DOE Complex. This KM-IT web-based interactive system is operational and available for use at www.dndkm.org and is currently comprised of the following modules: Web Crawler, Hotline, Technology, Hanford's ALARA Center Reports, Specialist Directory, Lessons Learned, Best Practices, Video/Picture Library, Vendors and Industry News. The Web Crawler dynamically searches through the KM-IT repository as well as the web and displays search results based on the search criteria. The Hotline allows registered users to post questions/problems related to D and D and to receive solutions from a subject-matter specialist. The Technology module serves as repository of D and D technologies and contains technology/ demonstration fact sheets and vendor information. D and D community members can add Lessons Learned, Best Practices, and Pictures/Videos to the D and D repository, after a formal approval process. The Vendor module provides a directory of commercial vendors who provide D and D related technologies, supplies, and services. KM-IT makes an excellent use of the knowledge that exists within the D and D community by allowing D and D project managers around the DOE complex to collaborate by sharing innovative ideas, past experiences, and practices and by maintaining a directory of subject matter specialists. FIU has developed the dedicated module on KM-IT platform to publish D and D research being performed at FIU. This module highlights current EM research efforts and activities in support of D and D being performed at FIU/SRNL associated with fixatives and intumescent products. FIU will expand this module to include the recent and current D and D research being performed across multiple DOE EM sites, national labs and universities. FIU will collaborate with SRNL, INL, ANL and other universities to explore and publish D and D research activities on KM-IT. As a result, the user community will have a centralized location to review new D and D related research across the DOE EM complex. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Axisymmetric and Focusing Analyzers to Enable Efficient Powder and Residual Stress Neutron Diffractometers

Project Summary: Company: Adelphi Technology, Inc., Redwood City, CA 94063-4121 DOE Phase 1 STTR PI: Dr. Jay Theodore Cremer, Jr. Chief Scientist at Adelphi Technology, Inc. DOE Phase 1 STTR with: Dr. Boris Khaykovich of Massachusetts Institute of Technology (MIT) MIT Nuclear Reactor Laboratory DOE Phase 1 STTR Title: Axisymmetric and Focusing Analyzers to Enable Efficient Powder and Residual Stress Neutron Diffractometers Statement of the problem or situation that is being addressed: Although thermal and cold neutron scattering is widely used, and is critical for success in many areas of materials science and engineering, relatively low neutron fluxes severely limit applications of not only laboratory neutrons generators, but also large national neutron facilities. State-of-the-art thermal and cold neutron sources are large expensive national facilities, which serve diverse community of scientific and industrial users. The constant need to improve the instruments performance, stems from the fact that neutron methods are gaining in popularity, and becoming more and more powerful, while new neutron sources are not being constructed, so as to keep pace with the developments and needs of the scientific community. Small research reactors at universities and National Labs, and laboratory-based neutron generators, are necessary not only for education and training, but also when samples cannot be transported to other facilities. However, the standard neutron techniques, which were developed for high-flux facilities, require much higher efficiencies to be used effectively with the low fluxes of small sources. Thus, the efficient use of neutron sources, such as with our proposed analyzer, is important for the progress and broader use of these neutron techniques. General statement of how this problem is being addressed: We strive to achieve the goal of efficient use of available thermal and cold neutrons, by introducing here, novel analyzers for powder diffraction and stress-strain measurements. These analyzers will enable polychromatic cold and thermal neutron diffractometers, which will have much higher throughput than existing instruments. At large national facilities, such as at Oak Ridge National Laboratory, these analyzers would enable very fast instruments for screening of multiple samples, for measuring kinetic processes, or for measuring residual stress tensors. Commercial Applications and Other Benefits: By combining the novel analyzers with the Adelphi thermal neutron generator, we will open a new market, which includes the testing of samples that cannot be transported, such as nuclear fuels, or the testing of parts during production. Given the reasonable cost and size of our proposed analyzer systems, along with the continuing development of more powerful thermal neutron generators, the proposed analyzers will be suitable for weak neutrons sources, which are installed at small to large university, industrial, and government laboratories. Key Words: Neutron powder diffraction, residual stress measurements, thermal neutron generators, TRIGA reactors, low flux thermal and cold neutron sources, neutron diffraction. Summary for Members of Congress: Thermal and cold neutron beams are a powerful materials science probe, which provide unique information about the structure of matter. The proposed innovations expand the reach of neutron-based investigations to new materials and industries by enabling new instrumentation capabilities, thereby greatly enhancing and expanding the role of small, laboratory-based neutron instrumentation, and improving education and training of neutron users.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Illuminating the pathways to carbon liberation: a systems approach to characterizing the consequential unknowns of carbon transformation and loss from thawing permafrost peatlands (Final Report)

The IsoGenie3 Project delivered new systems-level insights into carbon cycling in thawing permafrost landscapes, with an emphasis on methane and carbon dioxide emissions. From >200 samples from the site collected over a decade, co-analyzed for geochemistry and microbiology, the team recovered ~1,500 assembled microbial genomes and ~1,900 viral population genomes, revealing appreciable genetic novelty - from a new highly abundant bacterial phylum, to novel methane consumers and their activities, to rampant viral novelty. IsoGenie3 linked these organisms to carbon compound transformations (which define the cycling of organic matter in soils, and the loss of the greenhouse gases carbon dioxide and methane), and saw that the microbes at each stage of permafrost thaw had different genetic potential to degrade categories of compounds, expressed that genetic potential differently, and actually transformed carbon compounds into greenhouse gases in different ways. IsoGenie 3 identified that some of the thaw-stage differences were due to plant-microbiome relationships; the plant species across the thaw gradient contributed different carbon compounds into the soil, and hosted distinct microbiota (differing among parts of plants as well as species). Lastly, microbes in the saturated post-thaw conditions appeared likely to contribute to the mobilization and toxification of mercury released during thaw. In parallel with ongoing field sampling and analysis, hypotheses arising from field observations were tested via lab incubation experiments. When communities are taken out of their native habitats, they behave differently, and the team first rigorously quantified the magnitude of this effect on microbiome composition and functional capacity, organic matter composition, and gas production; overall the main system processes were maintained in the lab incubations under the conditions tested. Further, the microbial data could inform geochemical reaction network models of those processes. Then, the team ran experiments with additions of compounds, varying temperature, and “live” vs. “dead” peat (the latter having been gamma irradiated, with a few additional variants to control for methodological artifacts). From these, we (a) determined the importance of plant-derived soluble phenolic compounds in bogs’ extraordinary recalcitrance of organic matter, and carbon gas emissions skewed to carbon dioxide; (b) proposed an abiotic ‘tanning’ mechanism, which could contribute to Sphagnum’s inhibitory effect on anaerobic decomposition through alteration of N availability. IsoGenie3 illuminated longer-term and landscape-scale interactions of permafrost thaw and carbon cycling, advancing knowledge of the drivers of methane dynamics not only across in the permafrost-associated peatland (where hydrology and plant communities dictate microbiomes) but also their interconnected lakes (where sediment carbon quality and resident microbiota are determined by position within lake, and lake features). By leveraging observations of site methane dynamics extending well before this project, the team was able to construct a 44-year portrait of the interplay of permafrost thaw, hydrology, vegetation dynamics, and carbon gas emissions, and the doubling of the fully-thawed fens over this time. From the detailed study of this focal site, IsoGenie3 also aimed to improve model representation of these kinds of sites and processes. To improve predictions of methane transformations, we incorporated acetate and isotope dynamics into the ‘DNDC’ biogeochemistry model. In addition, recovered genomes were grouped into ‘functional groups’, i.e. the genomes that perform a specific function of interest, then used to parameterize maximum growth rate and optimum growth temperature (via signatures in their sequence composition) for the BioCrunch model. The BioCrunch model was then in turn used to test the impact of increasing functional resolution of the microbes, on the carbon gas emissions. Lastly for modeling, the ecosys model was parameterized from the microbial and other data, and used to evaluate drivers of e.g. change in methane emissions. Finally, this project also led to the development of a range of new methods and tools, a new metric of organic matter decomposability, as well as a graph-database solution to multidisciplinary data storage and querying. This project’s ongoing analyses at our focal site also contributed to broader advancements in understanding elements of genetic plasticity and methane metabolism, climate change microbiology and community assembly, global peatland geochemistry and Arctic lakes’ roles in climate feedbacks.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Temporal Coarse Graining for Classical Stochastic Noise in Quantum Systems

Simulations of quantum systems with Hamiltonian classical stochastic noise can be challenging when the noise exhibits temporal correlations over a multitude of time scales, such as for 1/f noise in solid-state quantum information processors. Here we present an approach for simulating Hamiltonian classical stochastic noise that performs temporal coarse-graining by effectively integrating out the high-frequency components of the noise. We focus on the case where the stochastic noise can be expressed as a sum of Ornstein-Uhlenbeck processes. Temporal coarse-graining is then achieved by conditioning the stochastic process on a coarse realization of the noise, expressing the conditioned stochastic process in terms of a sum of smooth, deterministic functions and bridge processes with boundaries fixed at zero, and performing the ensemble average over the bridge processes. For Ornstein-Uhlenbeck processes, the deterministic components capture all dependence on the coarse realization, and the stochastic bridge processes are not only independent but taken from the same distribution with correlators that can be expressed analytically, allowing the associated noise propagators to be precomputed once for all simulations. This combination of noise trajectories on a coarse time grid and ensemble averaging over bridge processes has practical advantages, such as a simple concatenation rule, that we highlight with numerical examples.

Albash, Tameem [Sandia National Lab. (SNL-NM), Alb↗

DOE OSTI2026

Isolated and H 2 -reduced Anderson clusters catalyse low-temperature hydrogenation of CO 2 to methanol

CO 2 hydrogenation, especially to methanol, is crucial to establishing sustainable closed-loop systems for carbon utilization. However, the difficulties of CO 2 activation at low temperatures and the ambiguity of structure–activity correlations are obstacles to reducing the energy consumption of the hydrogenation process. Here we report that molecularly defined Anderson PtMo 6 O 24 clusters, sited within a robust metal–organic framework, are catalytic for low-temperature CO 2 hydrogenation. The performance of the cluster showed no signs of decay in either its activity or methanol selectivity over 3,600 h at 180 °C. It also achieves a per-pass yield exceeding that of state-of-the-art heterogeneous catalysts under similar conditions. Combined in situ spectroscopy and density functional theory calculations demonstrated that CH 3 OH formation is dominated by the reverse water–gas shift and subsequent CO* hydrogenation pathway, while the HCOO* pathway may serve as a supplementary route. The well-defined cluster structure offers an ideal model for elucidating structure–activity correlations and opens exciting avenues for the rational design of high-activity, low-temperature catalysts for CO 2 hydrogenation.

heterogeneous catalysis↗

DOE OSTI2025

Evaluating Mean State Cloud Properties in the Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM)

Accurately simulating clouds remains a key challenge in global climate models, primarily because cloud formation involves sub-grid processes that are parameterized and crudely represented in models. This study examines the performance of DOE's Simple Cloud-Resolving Energy Exascale Earth System (E3SM) Atmosphere Model (SCREAM) in simulating cloud properties and their spatio-temporal distribution by comparing against satellite observations. Two horizontal resolutions of SCREAM (3 and 12 km) are examined, and both depict a realistic spatial structure of mean-state cloud cover but underestimate its global mean magnitude. SCREAM 3 km reasonably reproduces the distribution of mean-state cloud properties across various cloud optical thickness and cloud-top pressure regimes, with performance comparable to CMIP5 and CMIP6 ensemble and marginally outperforming SCREAM 12 km. Still, SCREAM 3 km tends to underpredict low clouds and optically thin clouds, highlighting the need for continued improvement in representing unresolved processes. This study provides a basis for confidence in the representation of clouds in SCREAM, as simulating mean-state clouds is a necessary prerequisite for trusting its cloud responses to changes in aerosols and greenhouse gases.

Geosciences↗

DOE OSTI2026

Investigation of coherence of niobium-based resonators enabled by a fast-sealing microwave cavity

Resonators and qubits with a niobium (Nb) base metal layer achieve some of the highest coherence times in superconducting quantum devices. The performance of such devices is often limited by loss associated with two-level systems, which are found primarily at material surfaces and interfaces. The metal-air (MA) interface is a major contributor to device loss. In this work, we develop a fast-sealing microwave cavity that enables devices to be placed under vacuum within five minutes of oxide removal, thereby significantly reducing the MA interface loss compared to common device processing and packaging approaches. Using coplanar stripline resonators, we demonstrate that devices sealed in such a cavity exhibit internal quality factors exceeding one million at single-photon power. After re-exposure to air, the devices show downward resonance frequency shifts and quality factor degradations, quantitatively consistent with a model of Nb oxide regrowth. The fast-sealing microwave cavity provides a practical and consistent method to mitigate MA interface loss and sustain high coherence in Nb devices, and establishes a controlled platform for studying metal oxide regrowth kinetics and dielectric properties, the understanding of which is critical to achieving high coherence in superconducting quantum devices.

Zhang, C. [Waterloo U., IQC; Waterloo U.]↗

DOE OSTI2015

Assessment of biogas production from MBT waste under different operating conditions

Highlights: • BMP test displayed high gas potential generation capacity of MBT waste. • Strong inhibition effects were observed due to ammonia and VFA accumulation. • Waste water content was found as the key parameter limiting gas generation. • First order k-values were determined for different operating conditions. - Abstract: In this work, the influence of different operating conditions on the biogas production from mechanically–biologically treated (MBT) wastes is investigated. Specifically, different lab-scale anaerobic tests varying the water content (26–43% w/w up to 75% w/w), the temperature (from 20 to 25 °C up to 55 °C) and the amount of inoculum have been performed on waste samples collected from a full-scale Italian MBT plant. For each test, the gas generation yield and, where applicable, the first-order gas generation rates were determined. Nearly all tests were characterised by a quite long lag-phase. This result was mainly ascribed to the inhibition effects resulting from the high concentrations of volatile fatty acids (VFAs) and ammonia detected in the different stages of the experiments. Furthermore, water content was found as one of the key factor limiting the anaerobic biological process. Indeed, the experimental results showed that when the moisture was lower than 32% w/w, the methanogenic microbial activity was completely inhibited. For the higher water content tested (75% w/w), high values of accumulated gas volume (up to 150 Nl/kgTS) and a relatively short time period to deplete the MBT waste gas generation capacity were observed. At these test conditions, the effect of temperature became evident, leading to gas generation rates of 0.007 d{sup −1} at room temperature that increased to 0.03–0.05 d{sup −1} at 37 °C and to 0.04–0.11 d{sup −1} at 55 °C. Overall, the obtained results highlighted that the operative conditions can drastically affect the gas production from MBT wastes. This suggests that particular caution should be paid when using the results of lab-scale tests for the evaluation of long-term behaviour expected in the field where the boundary conditions change continuously and vary significantly depending on the climate, the landfill operative management strategies in place (e.g. leachate recirculation, waste disposal methods), the hydraulic characteristics of disposed waste, the presence and type of temporary and final cover systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Material Protection, Accounting and Control Technologies (MPACT) Implementation Plan: Lab-Scale Demonstration of Advanced Safeguard and Security Systems

The Materials Protection, Accounting, and Control Technologies (MPACT) campaign is working towards the goal of developing and demonstrating the next generation of nuclear materials management for the peaceful use of civilian nuclear energy. A major milestone of the campaign is the “Lab-scale demonstration of an advanced safeguards and security system,” due in 2020. This implementation plan describes how tools developed in the MPACT campaign will be used to meet this milestone. These tools consist of instrumentation and devices as well as computer software for modelling, simulation and integration of data and information for safeguard and security analysis. The plan is focused on demonstrating an advanced safeguard and security systems for electrochemical processing plants, but also identifies activities needed to address advanced reactor, aqueous processing and other advanced fuel cycle facilities. A key component to achieving the 2020 milestone is the development of a virtual distributed test bed that incorporates the instruments, data, analysis tools, and models currently under development and provides a framework to link and normalize the data in a way that simulates a facility, including uncertainty quantification. This virtual distributed test bed will integrate computer simulated facilities that make up a fuel cycle of interest, with distributed test beds located in actual operating facilities and laboratories. The MPACT campaign recently issued roadmaps for both Modelling & Simulation and Advanced Integration which address this component, and activities necessary to achieve the 2020 milestone. Research, development and testing of specific technologies have been supported by the MPACT campaign in coordination with other DOE-NE and DOE-NNSA programs. These technologies provide the essential data needed by the safeguard and security systems, and feed into the data analysis and facility models. This plan will identify these technologies, their current status and activities needed to demonstrate the technologies at the laboratory scale. Wherever possible, test of technologies in field conditions using suitable nuclear materials will be used to define performance. Where necessary, surrogate materials and/or simulation will be used to provide useful information for the demonstration. When completed, the 2020 milestone will provide a demonstration of advanced safeguard and security technologies, including advanced modelling, simulation and analysis approaches, applied to electrochemical processing. It will also identify applications of the technology and approaches in other advanced fuel cycle and reactor concepts.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2025

Wide-Bandgap Semiconductor Amplifiers for Fusion Plasma Heating and Control

This paper discusses power electronics developed under the ARPA-E GAMOW program to support nuclear fusion power production. The goal of this project was to develop and assess the potential for wide-bandgap (WBG) semiconductor devices in power electronics to enable high-efficiency and high-voltage solid-state systems for fusion plasma generation, heating, and control. The power electronics use an architecture in which multiple high-power boards can be combined to produce megawatt-level power, where using multiple boards provides high reliability. Two main areas of power electronics boards are developed in this project for fusion plasma heating and control applications: (1) pulse generation and control and (2) radiofrequency generation. The first area is for boards capable of driving high-voltage millisecond pulses at high duty cycles. The envisioned application of these pulses is in plasma control of magnetohydrodynamic instabilities, plasma position, and edge-localized modes. Pulse-width modulation allows for the implementation of a wide variety of linear and nonlinear control systems. The boards developed for this project could actuate control coils based on digital input signals and can be parallelized to provide megawatts of output power. The design of the pulse generator is a low-side load switch. A load switch was designed and constructed that utilized 2-kV-rated field-effect transistor (FET)-based cascodes developed by Qorvo under this project to perform initial testing of these cascodes. The second area is being implemented using class E amplifiers with WBG devices and a reactance steering network to handle inductive or capacitive plasma loads. Applications include ion cyclotron resonance heating (ICRH) and high-harmonic fast-wave (HHFW) heating. A class E reactance steering network is demonstrated in modeling and experiment with a resistive-inductive load that models an inductively-coupled plasma. Power combining of boards with class E reactance steering networks is also simulated and demonstrated experimentally, to enable scaling up to high power. Modeling of high-power-density cooling and remaining useful life is conducted to enable reliable, effectively cooled high-power electronics for fusion applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Near-Term Reliability and Resilience (NTRR) (Final Report)

The Near-Term Reliability and Resiliency (NTRR) was awarded in December 2020 as an inter-lab project to examine the reliability and resilience of the electricity grid and natural gas transportation availability. The project builds on studies conducted by The North American Electric Reliability Corporation (NERC), the U.S. Department of Energy (DOE), and other non-governmental research and operational focused on reliability and resilience analyses challenges. The research was conceived to address near-term scenarios (within 10 years), when many local and regional policy transitions could begin to impact grid reliability, resilience, and supporting infrastructure availability. To integrate the natural gas interdependency, the team began with the generating capacity and demand projections from the 2020 NERC Long-Term Reliability Assessment and the Bulk Electric System (BES) transmission topologies defined in the Western Electricity Coordinating Council (WECC) Anchor Data Set, Eastern Interconnection Reliability Assessment Group Multi-Regional Modeling Working Group (ERAG/MMWG) Data Set, the team calculated baseline regional power sector gas demands from present electricity delivery year through the end of delivery year 2030/31 by applying security constrained economic dispatch. This demand was compiled along with demand projections for regional residential, commercial, and industrial natural gas demands from the most recent Energy Information Administration (EIA) Annual Energy Outlook Reference Case into Deloitte’s MarketBuilder® North American Gas Model. Through the application of these demands, MarketBuilder® was projected the topology of natural gas flows in the natural gas pipeline network across the interconnected North American system along with regional natural gas prices that may be seen by market participants in future years Additionally, contingencies and sensitivities focused on the built models of the Eastern Interconnection (EI) and Western Interconnection (WI). They address challenges from the following with the outcomes being an identification of performance under the extreme conditions and an identification of potential grid weaknesses that should be addressed to mitigate the reduced performance and improve the resilience and reliability of the specific regions as well as the National Grid: • Weather events including extreme heat, extreme cold, high wind, no wind, wind and solar forecasting errors, and wildfires. • Gas availability, factoring in supply disruption (contractual and physical), seasonal availability constraints, and infrastructure limitations; and • Transmission availability and congestion.

03 NATURAL GAS↗

DOE OSTI2025

Temperature Measurements in Hypersonic Wind Tunnels via Femtosecond Coherent Anti-Stokes Raman Scattering

A femtosecond coherent anti-Stokes Raman scattering (fs CARS) instrument is developed to perform gas-phase thermometry in cold-flow hypersonic wind tunnels. Measurements are reported for Mach 8 and 14 pure-nitrogen flows. The fs CARS instrument includes a 100 fs pump/Stokes pulse and a spectrally narrow probe pulse from a second harmonic bandwidth compressor. Important experimental considerations such as limits on the pump/Stokes pulse energy are discussed. The fs CARS focusing and collimating optics are mounted on a two-axis translation stage system to scan the measurement location during a 30 second wind tunnel run. Single-laser-shot rotational CARS spectra are recorded at the laser repetition rate of 1 kHz in the wind tunnel freestream and near simple cone models. Spectral fitting is used to determine quantitative gas temperatures. Freestream temperatures at Mach 8 and 14 spanned ranges of 40–75 and 35–50 K, respectively, depending on tunnel operating conditions. Temperature variations across the central 100 mm span of the wind tunnel were quantified. Measured temperature jumps across conical bow shocks from various models varied by less than 1% from predicted values. Hypersonic boundary layer measurements were demonstrated. In conclusion, these measurements illustrate the utility and robustness of this instrument for the study of complex fluid flow phenomena in challenging ground test facilities.

Aerodynamics↗

DOE OSTI2025

Experimental Characterization of High-Surface Area Thermal Energy Storage

There is growing interest in energy storage technologies due to the expansion of renewable energy sources that are inherently intermittent and the increasing frequency of extreme weather events that disturb the power grid. Power consumption in buildings makes up approximately 76% of all electricity usage on the grid and is primarily used for thermal applications such as space conditioning, hot water, and cooking. This makes thermal energy storage (TES) an ideal solution for many of these applications. Many TES technologies rely on latent energy storage, which utilizes the melting/solidification of phase change materials (PCM) to store energy. Typically, TES designs suffer from low power density due to their low inherent thermal conductivity. This limitation makes the deployment of TES in active applications difficult as the ease of access to energy is essential for effective use. Common routes for improving power density include high thermal conductivity additives or extended features such as fins that increase cost. This study presents an alternative approach to improving performance through increasing the overall surface area to volume ratio of the device, to increase the available area for convection to occur between the working fluid and PCM. In the study a commercial PCM was selected with a transition temperature ideal for space heating applications. The heat exchanger design utilizes a unique application of triply periodic minimal surfaces (TPMS) for macro-encapsulation of the PCM. The use of TPMS for heat exchangers has been growing in interest due to their high-surface area to volume ratios, which were previously unmanufacturable until the development of additive manufacturing. A modular system was designed and manufactured with a stereolithography resin printing system that is then backfilled with PCM. An experiment test set-up is designed to test the charge and discharge performance of the thermal storage using a conditioned air stream. The pressure drop of the design is tested across a variety of flow rates. When compared to existing experimental data within literature, there is excellent agreement based on the Reynolds number at similar hydraulic diameters. Several inlet temperatures are tested at consistent temperature differences from the phase change temperature for both charging and discharging. Additionally, the volumetric flow rate is varied for each temperature set point. It was found that increasing flow rate had diminishing returns in reducing the overall charge time of the TES. The temperature delta from the melting temperature was the primary contributor to the change in average heat flux with limited variation in average heat transfer rate between charging and discharging at similar inlet temperatures and flow rates. The TPMS heat exchanger design has a high air-side pressure drop but it provides high heat transfer rates. This helps maintain a high outlet temperature during discharge, which is important to thermal comfort applications. The design, manufacturing, and experimental characterization of the TES device will be presented as part of this study.

25 ENERGY STORAGE↗

DOE OSTI2026

Unsupervised Detection of SOC Spoofing in OCPP 2.0.1 EV Charging Communication Protocol Using One-Class SVM

The electric vehicles (EVs) market keeps growing globally; thus, it is critical to secure the EV charging communication protocols in order to guarantee reliable and fair charging operations among the customers. The Open Charge Point Protocol (OCPP) 2.0.1 supports the communication between the Electric Vehicle Supply Equipment (EVSE) and Charging Station Management Systems (CSMSs); therefore, it becomes vulnerable to several types of attacks, which aim to jeopardize smart charging, billing, and energy management. Specifically, OCPP 2.0.1 allows the self-reporting of the State of Charge (SOC) values, which makes it vulnerable to spoofing-based cyberattacks, which target manipulating the scheduling priorities, distorting the load forecasts, and extending the charging sessions in an unfair manner. In this paper, we try to address this type of attack by providing a comprehensive analysis of the SOC spoofing attacks and introducing a novel unsupervised detection framework based on the One-Class Support Vector Machine (OCSVM) algorithm. Specifically, two types of attack scenarios are analyzed (i.e., priority manipulation and session extension) by deriving engineered features that capture the nonlinear relationships under normal charging behavior. Detailed simulation-based results are derived by utilizing the DESL-EPFL Level 3 EV charging dataset. Our results demonstrate high F1-score and recall in identifying spoofed SOC values and that the proposed OCSVM model demonstrates superior performance compared to alternative clustering and deep-learning based detectors.

EV charging↗