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DOE OSTI2022

The Viability of Selected Vacuum Furnace Quench Methods for Heat Treatment of Uranium

Recent developments in high-pressure gas-quench furnaces have allowed them, in many applications, to achieve heat transfer coefficients similar to those of oil-quench furnaces. Simultaneously, high-pressure gas quench furnaces offer many attractive qualities including a smaller footprint, limited waste generation, and a more consistent quench rate across a range of temperatures. With these benefits in mind, an experimental matrix was developed to assess the feasibility of implementing a high-pressure gas quenching furnace in the Sigma facility for processing of uranium alloys. The details of this experimental matrix, as well experimental results gathered during FY21 and FY22, will be presented.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

The Atacama Cosmology Telescope: R eionization kSZ trispectrum methodology and limits

Patchy reionization generates kinematic Sunyaev–Zel’dovich (kSZ) anisotropies in the cosmic microwave background (CMB). Large-scale velocity perturbations along the line of sight modulate the small-scale kSZ power spectrum, leading to a trispectrum (or four-point function) in the CMB that depends on the physics of reionization. We investigate the challenges in detecting this trispectrum and use tools developed for CMB lensing, such as realization-dependent bias subtraction and cross-correlation based estimators, to counter uncertainties in the instrumental noise and assumed CMB power spectrum. We also find that both lensing and extragalactic foregrounds can impart larger trispectrum contributions than the reionization kSZ signal. We present a range of mitigation methods for both of these sources of contamination, validated on microwave-sky simulations. We use ACT DR6 and Planck data to calculate an upper limit on the reionization kSZ trispectrum from a measurement dominated by foregrounds. The upper limit is about 50 times the signal predicted from recent simulations.

cosmic background radiation↗

DOE OSTI2026

MassIVE MSV000100641 - Multilayered regulation by RNA thermometers enables precise control of Cas9 expression in E. coli: Cas9-based genome editing technologies can rapidly generate mutations to probe a diverse array of mutant genotypes. However, aberrant Cas9 nuclease translation and activity can occur despite the use of inducible promoters to control expression, leading to extensive cell death. This background killing caused by promoter leakiness severely limits the application of Cas9 for generating mutant libraries because of the potential for population skew. We demonstrate the utility of temperature sensitive RNA elements as a layer of post-transcriptional regulation to reduce the impact of promoter leak. We observe significant temperature-dependent increases in cell survival when certain RNA thermometers (RNATs) are placed upstream of the cas9 coding sequence. We also show that the most highly repressing RNAT, hsp17rep, significantly reduces population skew with a library of characterized guide RNAs in Escherichia coli. This strategy should be applicable to all bacterial Cas9-based methods and technologies.

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Alexander, William G. [Oak Ridge National Laborato↗

DOE OSTI2021

Control and Simulation of a Grid-Forming Inverter for Hybrid PV-Battery Plants in Power System Black Start

Power system restoration is an important part of system planning. Power utilities are required to maintain black start capable generators that can energize the transmission system and provide cranking power to non-blackstart capable generators. Traditionally, hydro and diesel units are used as black start capable generators. With the increased penetration of bulk size solar farms, inverter based generation can play an important role in faster and parallel black start thus ensuring system can be brought back into service without the conventional delays that can be expected with limited black start generators. Inverter-based photovoltaic (PV) power plants have advantages that are suitable for black start. This paper proposes the modeling, control, and simulation of a grid-forming inverter-based PV-battery power plant that can be used as a black start unit. The inverter control includes both primary and secondary control loops to imitate the control of a conventional synchronous machine. The proposed approach is verified using a test system modified from the IEEE 9-bus system in the time-domain electromagnetic transient simulation tool PSCAD. The simulation results shows voltage and frequency stability during a multi-step black-start and network energization process.

Nguyen, Quan H.↗

DOE OSTI2020

Improvement on the plasma performances via application of flowing lithium limiters in EAST tokamak

Three generation of flowing liquid lithium (FLiLi) limiters have been developed and successfully tested in EAST since 2014. It was confirmed that liquid Li could be driven by an innovative in-vessel DC electromagnetic J × B pump to form a recirculating loop. The FLiLi design was continuously upgraded, resulting in improvement of the liquid Li surface coverage (>80%), elimination of surface erosion, and the increase of heat exhaust capability. Promising results are obtained during FLiLi operations, including a reduction of impurities and recycling to improve plasma confinement, and a mitigation of ELM activity in H-mode plasmas. The FLiLi limiter program has shown basic compatibility with H-mode discharges with auxiliary heating power up to 8.3 MW. These efforts will expand to flowing liquid Li PFC in high heat flux zones, e.g. near the divertor strike point in reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

The simultaneous removal of technetium and iodine from Hanford tank waste

The simultaneous removal of radionuclides technetium-99 and iodine-129 from an actual decontaminated Hanford tank waste sample (a mixture of decontaminated waste from tanks 241-AP-105 and 241-AP-107) was demonstrated for the first time in this work. A series of commercially available ion exchange resins were evaluated in batch contact tests in the tank waste, and all showed removal of both Tc and I. The highest Tc removal was observed for Purolite A530e while the highest iodine removal was observed for ResinTech SIR-110-MP. Batch tests in simulated tank waste with these two resins showed that the SIR-110-HP-MP had consistently higher K d for both pertechnetate and iodide and much higher K d than previous works on Tc removal from Hanford waste. As such, the SIR-110-MP was evaluated in a dual -column (lead/lag) test processing 5.2L of the tank waste mixture showing 60% breakthrough of Tc on the lead column and no significant breakthrough on the lag after 625 bed volumes (BV, 6 mL size) while significant iodine breakthrough (>50%) occurred after 28 BV. The limited iodine uptake was attributed to the column conditions generating mass transfer limitations. A fraction of the Tc and I was not captured by the resin (<10%) in either the batch tests or column tests. The iodine fraction was identified to be an iodide, likely organo-iodide. The fraction of the Tc was identified as a non-pertechnetate species, which is the first time non-pertechnetate has been identified in AP-105 and AP-107 tanks, although the exact species is still unknown.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Neutral-atom entanglement using adiabatic Rydberg dressing

Here we revisit the implementation of a two-qubit entangling gate, the Mølmer-Sørensen gate, using the adiabatic Rydberg dressing paradigm for neutral atoms as studied in [A. Mitra et al., Phys. Rev. A 101, 030301(R) (2020)]. We study the implementation of rapid adiabatic passage using a two-photon transition, which does not require the use of an ultraviolet laser, and can be implemented using only amplitude modulation of one field with all laser frequencies fixed. We find that entangling gate fidelities, comparable to the one-photon excitation, are achievable with the two-photon excitation. Moreover, we address how the adiabatic dressing protocol can be used to implement entangling gates outside the regime of a perfect Rydberg blockade. We show that, by using adiabatic dressing, we can achieve scaling of the gate fidelity set by the fundamental limits to entanglement generated by the Rydberg interactions while simultaneously retaining a limited population in the doubly excited Rydberg state. This allows for fast high-fidelity gates for atoms separated beyond the blockade radius.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Multiple-objective Reinforcement Learning for Inverse Design and Identification

The aim of inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design and have achieved early success in generating molecular structures with desired properties in the pharmaceutical and material chemistry fields. However, satisfying a large number (> 10 objectives) of molecular objectives is a limitation of current generative models. To improve the model’s ability to handle a large number of molecule design objectives, we developed a Reinforcement Learning (RL) based generative framework to optimize chemical molecule generation. Our use of Curriculum Learning (CL) to fine-tune the pre-trained generative network allowed the model to satisfy up to 21 objectives and increase the generative network’s robustness. The experiments show that the proposed multiple-objective RL-based generative model can correctly identify unknown molecules with an 83% to 100% success rate, compared to the baseline approach of 0%. Additionally, this proposed generative model is not limited to just chemistry research challenges; we anticipate that problems that utilize RL with multiple objectives will benefit from this framework.

reinforcement learning, generative model, inverse ↗

DOE OSTI2026

Voltage Service Limits Smart Contract Using Distributed Ledger Technology for Electrical Utility Grid with Customer-Owned Generator

Modern electrical grids face growing stability risks from customer-owned generators, especially at points of common couplings (PCCs). Disruptive behavior from power-electronic sources can cause protective relays to isolate problematic generators, making measurement integrity critical. This article presents a distributed ledger technology (DLT) approach that uses smart contracts to evaluate PCC voltage measurements and trigger backup breaker operations. The approach is framed as a verifiable, multi-organization attestation and audit layer, not as a real-time control security mechanism. In the proposed architecture, voltage measurements from a hardware protective relay are anchored on a DLT through the Cyber Grid Guard (CGG) system for attestation by both the grid utility and customer-owned generator. A Voltage Service Limits (VSLs) smart contract evaluates the on-chain measurements against allowable phase-voltage limits derived from the ANSI C84.1 standard. The framework is validated in a hardware-relay-in-the-loop test bed under sustained-undervoltage, sustained-overvoltage, and transient line-to-line fault scenarios. The results show that the VSL smart contract can process these measurements and issue backup breaker actions consistent with the defined service-limit criteria, demonstrating the DLT potential as a verifiable audit layer at the PCC that complements primary protection.

cyber security↗

DOE OSTI2023

Reassessing the MCNP Random Number Generator

Random number generators are integral components to Monte Carlo codes. They provide the pseudorandom number sequence used to actually sample the distributions of interest. As a result, they are one of the most important components to the software. The current recommended MCNP random number generator is a 63-bit linear congruential generator (LCG). This generator is quite fast, but it has some drawbacks. First, it only has a period of 2 63 . Due to the necessarily non-optimal usage of random numbers to ensure parallel reproducibility, this amount is too few to guarantee random number sequences are not reused in all configurations the code runs under. As simulation size increases, users will need to be aware of the limitations of the generator and tune configuration variables to best suit their simulations, or they will need to assume that reuse is not negatively affecting their answers. Neither of these are optimal. Second, small LCGs are fairly weak in bit generation quality, and this can have an unknown impact on the quality of the simulation. This paper is an investigation into whether or not more modern random number generators can supersede the current ones. The goal is to find a generator that is similar or superior in speed to the LCGs, has a state space large enough to make strong guarantees about random number reuse, and passes all modern random number test suites. If such a generator is found, it would eliminate the need for the user to even be aware of the limitations of the random number generator and would simplify the use of the code. This paper will be broken into several parts. Sec. 2 will discuss the evolution of the random number generator within the MCNP code. Sec. 3 will go over what a Monte Carlo code needs from a generator to be reproducible and portable and how the current generator behaves in that light. Sec. 4 goes through how each generator was tested. Finally, Sec. 5 will discuss improvements that could be made to the code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Enabling elliptically polarized high harmonic generation with short cross polarized laser pulses

Abstract Enabling elliptically polarized high-order harmonics overcomes a historical limitation in the generation of this highly nonlinear process in atomic, molecular and optical physics with applications in other branches. Here, we shed new light on a controversy between experimental observations and theoretical predictions on the possibility to generate harmonics with large ellipticity using two bichromatic laser pulses which are linearly polarized in orthogonal directions. Results of numerical calculations confirm the previous experimental data that in short laser pulses even harmonics with large ellipticity can be obtained for the interaction of such cross-polarized laser pulses with atoms initially in a s - or p -state, while odd harmonics have low ellipticity. The amount of the ellipticity can be controlled via the relative carrier-envelope phase of the pulses, their intensity ratio and the duration of the pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Toward a fully coherent tender and hard X-ray free-electron laser via cascaded EEHG in fourth-generation synchrotron light sources

Free-electron-laser-based beamlines utilize fully coherent laser pulses with extremely narrow bandwidth allowing direct use of X-rays without monochromators. This could be very beneficial for all users of current and future fourth-generation diffraction-limited synchrotron light sources (DL-SLSs) who need narrowband full-coherence high-brightness X-ray pulses. Based on our previous finding, i.e. that separating the two stages of echo-enabled harmonic generation (EEHG) with a few extra bending-magnet sections provides an effective way to increase the momentum compaction of chicane 1, one can simultaneously achieve adequate prebunching at extremely high harmonics as well as keep the energy modulation to the ideal minimum. This could open the door for cascaded EEHG, toward fully coherent tender and hard X-ray wavelengths. Built on our compact design of a twin-pulse seeding electron beam with an adjustable delay and timing jitter at the level of a few femtoseconds, a cascaded EEHG can be implemented, which includes two EEHG beamlines, where the radiation pulse generated by the first beamline with harmonic $h$ 1 could be used as the input seed laser pulse to the second beamline with harmonic $h$ 2 . Hence, the second radiator could potentially reach very high harmonics [$h$ = $h$ 1 (20)$h$ 2 (25–100)] from 500 to 2000, corresponding to tender and hard X-ray wavelengths. It is demonstrated that the cascaded EEHG scheme is compatible with almost any current or planned fourth-generation DL-SLS, with significant benefits for space-limited storage rings in particular. The main advantage is that this scheme requires almost no change of the storage-ring lattice and is fully compatible with other beamlines. Current proposals for rings with much longer straight sections would add self-amplified spontaneous emission as another viable option for storage-ring-based free-electron lasers.

36 MATERIALS SCIENCE↗

DOE OSTI2023

City and Borough of Sitka, Alaska: Modeling and Controls Assistance and Renewable Energy Resource Assessment [Slides]

This project develops the dynamic modeling of hydro plants and wind generation in Sitka, Alaska. A dynamic penetration of renewables was evaluated under various conditions. The impact of altering hydro generation control to synchronous condenser control was evaluated. While the existing hydro generations are sufficient to address voltage instability, a detailed study of the active-reactive capability limits of hydro generation operation should be conducted to uptake at various wind penetration levels.

14 SOLAR ENERGY↗

DOE OSTI2026

Limiter-aware adaptive excitation control for hydropower generators with legacy voltage regulation systems

Hydropower units often rely on legacy excitation systems with fixed automatic voltage regulator (AVR) settings, but parameter drift, changing operating conditions, and evolving grid-service demands can degrade terminal-voltage regulation over time. This problem should be addressed because poor voltage regulation affects reactive-power support, system stability, and reliable plant operation, and replacing installed AVR and limiter logic is costly and disruptive in practice. To address this issue, this paper proposes a retrofit-friendly enhancement for hydropower generator excitation systems that combines adaptive tuning of the AVR middle lead–lag branch with a small proportional-integral correction for removing steady bias and slow drift. The adaptive laws are normalized, projection-bounded, and equipped with leakage, while adaptation is enabled only in the middle branch. Thus, the intent of the underexcitation and overexcitation limiters, as well as legacy current and rate limits, remains unchanged. Stability is analyzed under incremental performance assumptions, yielding boundedness and asymptotic tracking in the absence of saturation. The method is evaluated using real operational data from a utility-scale hydropower unit at Rocky Reach Dam, Unit C-8. Compared with the fixed AVR baseline, the proposed method reduces terminal-voltage mean squared error by about 70%, removes long periods of steady-state bias, and improves transient tracking while coexisting with limiter actions. These results show that substantial voltage-control improvement can be achieved on existing hydropower units with minimal integration effort and without replacing the installed AVR structure.

ESST5B model↗

DOE OSTI2025

Extreme-ultraviolet spatiotemporal vortices via high harmonic generation

Spatiotemporal optical vortices (STOVs) are space–time structured light pulses with a unique topology that couples spatial and temporal domains and carry transverse orbital angular momentum (OAM). Up to now, their generation has been limited to the visible and infrared regions of the spectrum. During the last decade, it was shown that through the process of high-order harmonic generation, it is possible to upconvert spatial optical vortices that carry longitudinal OAM from the near-infrared into the extreme-ultraviolet (EUV), thereby producing vortices with distinct femtosecond and attosecond structure. In this work, we demonstrate theoretically and experimentally the generation of EUV spatiotemporal and spatiospectral vortices using near-infrared STOV driving laser pulses. Here, we use analytical expressions for focused STOVs to perform macroscopic calculations of high-order harmonic generation that are directly compared to the experimental results. As STOV beams are not eigenmodes of propagation, we characterize the highly charged EUV STOVs in both the near and far fields to show that they represent conjugated spatiotemporal and spatiospectral vortex pairs. Our work provides high-frequency light beams topologically coupled at the nanometre/attosecond scales domains with transverse OAM that could be suitable to explore electronic dynamics in magnetic materials, chiral media and nanostructures.

High-harmonic generation↗

DOE OSTI2022

Concept of circular-linear energy recovery accelerator to probe the energy frontier

Energy-frontier accelerators provide powerful tools performing high precision measurements confirming the fundamentals of the physics and broadening new research horizons. Such machines are either driven by circular or linear accelerators. The circular machines, having the centre-of-mass (CM) energy values reaching 200 GeV (for leptons) and above, experience beam energy loss and quality dilution, for example, due to synchrotron radiation, limiting the overall CM energy achievable and requiring a constant energy top-up to compensate the loss and the beam quality dilution. Linear colliders overcome these limitations, while the finite capabilities of generating high average current beams limits the luminosity. This is partially compensated by the quality of the colliding beams. In this work, we suggest a novel design of circular-linear accelerator based on the merging of the “non-emitting”, low-energy storage rings and energy recovery linear accelerators. We suggest using the recently considered dual-axis asymmetric cavities to enable the operation of such a system, and in particular the energy recovery from spent, high-intensity beams. The machine considered, under the scope of the SNOWMASS-2021 initiative, can be potentially used to reach ultimate energy frontiers in high-energy physics as well as to drive next generation light sources. The merging of circular and linear systems, and applications of dual axes cavities, should allow the maintaining of high beam quality, high luminosity, and high energy efficiency, while offering a flexible energy management and opening clear opportunity for reducing the running cost. We note that the numbers shown in the paper are for illustration purpose and can be improved further.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Rapid and Efficient Arsenic Removal by Iron Electrocoagulation Enabled with in Situ Generation of Hydrogen Peroxide

Millions of people are exposed to toxic levels of dissolved arsenic in groundwater used for drinking. Iron electrocoagulation (FeEC) has been demonstrated as an effective technology to remove arsenic at an affordable price. However, FeEC requires long operating times (~hours) to remove dissolved arsenic due to inherent kinetics limitations. Air cathode Assisted Iron Electrocoagulation (ACAIE) overcomes this limitation by cathodically generating H 2 O 2 in situ. In ACAIE operation, rapid oxidation of Fe(II) and complete oxidation and removal of As(III) are achieved. Here, we compare FeEC and ACAIE for removing As(III) from an initial concentration of 1464 μg/L, aiming for a final concentration of less than 4 μg/L. We demonstrate that at short electrolysis times (0.5 min), i.e., high charge dosage rates (1200 C/L/min), ACAIE consistently outperformed FeEC in bringing arsenic levels to less than WHO-MCL of 10 μg/L. Using XRD and XAS data, we conclusively show that poor arsenic removal in FeEC arises from incomplete As(III) oxidation, ineffective Fe(II) oxidation and the formation of Fe(II–III) (hydr)oxides at short electrolysis times (<20 min). Finally, we report successful ACAIE performance (retention time 19 s) in removing dissolved arsenic from contaminated groundwater in rural California.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Full event particle-level unfolding with variable-length latent variational diffusion

The measurements performed by particle physics experiments must account for the imperfect response of the detectors used to observe the interactions. One approach, unfolding, statistically adjusts the experimental data for detector effects. Recently, generative machine learning models have shown promise for performing unbinned unfolding in a high number of dimensions. However, all current generative approaches are limited to unfolding a fixed set of observables, making them unable to perform full-event unfolding in the variable dimensional environment of collider data. A novel modification to the variational latent diffusion model (VLD) approach to generative unfolding is presented, which allows for unfolding of high- and variable-dimensional feature spaces. The performance of this method is evaluated in the context of semi-leptonic t\bar{t} t t ‾ production at the Large Hadron Collider.

Shmakov, Alexander↗