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DOE OSTI2025

Self-healable Copolymer Composites for Extended Service H 2 Dispensing Hoses

In this project, we designed, synthesized and fabricated using X-winder technologies precommercialized novel, self-healingable commodity copolymer fiber-reinforced composites to extend the H 2 hose service life beyond the current target of 1000 fills. These studies demonstrated that these composites are able to withstand over 25,000 damage-repair cycles, which was the main objective of the proposed project, in the temperature range of -40 to +80 °C under variable pressures. When micro-cracks are formed after about 1,000 cycles/fueling per hose in the inner composite layer, these micro-cracks self-heal, thus extending the lifetime of a prototype inner layer of the hose. These composites were tested by exposure to H 2 fuel and demonstrated the ability to recover from mechanical damage. Thermomechanical testing combined with analysis of the stress and strain fields across the cross-section of the inner layer composite hoses also identified the ring-like stresses on the edge of inner layers arising from changes of the fiber winding angle directions from +45° to -45°. The developed novel concept that self-healing commodity copolymers can be used in the development of prototype composites for the extended service of H 2 dispensing hoses will have major implications for other energy-related technologies, where the extended service life in harsh environments is expected. In this project, we optimized, validated, and demonstrated novel copolymer fiber-reinforced composites for H 2 dispensing hose applications, which can be utilized in future manufacturing using commodity materials. The estimated cost of materials (exluding labor) is in the range of < $1.0/ft.

08 HYDROGEN↗

DOE OSTI2022

A new class of variable-radii diffraction optics for high-resolution x-ray spectroscopy at the National Ignition Facility (invited)

A new class of crystal shapes has been developed for x-ray spectroscopy of point-like or small (a few mm) emission sources. These optics allow for dramatic improvement in both achievable energy resolution and total throughput of the spectrometer as compared with traditional designs. This class of crystal shapes, collectively referred to as the Variable-Radii Spiral (VR-Spiral), utilize crystal shapes in which both the major and minor radii are variable. A crystal using this novel VR-Spiral shape has now been fabricated for high-resolution Extended X-ray Absorption Fine Structure (EXAFS) experiments targeting the Pb-L 3 (13.0 keV) absorption edge at the National Ignition Facility. The performance of this crystal has been characterized in the laboratory using a microfocus x-ray source, showing that high-resolution high-throughput EXAFS spectra can be acquired using this geometry. Importantly, these successful tests show that the complex three-dimensional crystal shape is manufacturable with the required precision needed to realize the expected performance of better than 5 eV energy resolution while using a 30 mm high crystal. An improved generalized mathematical form for VR-Spiral shapes is also presented allowing improved optimization as compared to the first sinusoidal-spiral based design. Finally, this new formulation allows VR-Spiral spectrometers to be designed at any magnification with optimized energy resolution at all energies within the spectrometer bandwidth.

47 OTHER INSTRUMENTATION↗

DOE OSTI2020

Failure investigation of nuclear grade POCO graphite target in high energy neutrino physics through numerical simulation

In many high energy physics neutrino beamlines, targets are made up of isotropic POCO graphite grade for production of neutrinos for high energy particle physics research and are bombarded with highly energetic pulsed proton beam. The pulsed proton beam with a small beam size creates thermal stress waves as well as radiation damage such as displacement damage, void formation, swelling, and gas formation amongst others. As a result, after a few years of operation one of the longest operated targets appears to have undergone bulk swelling and fractured along the beam centerline. A complex interaction of dynamic loading due to beam, material degradation due to irradiation are thought to have caused such a failure. Here, we present a numerical simulation to capture the combined effects of swelling and the dynamic effect of thermal stress waves due to beam heating, to explain the failure of target. An empirical formula has been developed to take into account swelling as a function of temperature and proton fluence and has been implemented in a commercial finite element code. Extensive X-ray diffraction (XRD) were performed on graphite samples from the failed target to understand the lattice parameter changes due to irradiation and build a valid empirical model. Simulation results show that swelling plays a major role in elevating the stress state in the material exceeding the failure strength while the pulsed beam heating also introduces fatigue loading that would explain brittle fracture emanating from inside of the material and propagating outward. Such empirical formulations will help in identifying the threshold values of critical parameters to extend the service life of future multi-megawatt neutrino targets and targets in other accelerator environments.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

The Breakthrough Listen Search for Intelligent Life: Searching for Technosignatures in Observations of TESS Targets of Interest

Exoplanetary systems are prime targets for the Search for Extraterrestrial Intelligence (SETI). With the recent uptick in the identification of candidate and confirmed exoplanets through the work of missions like the Transiting Exoplanet Survey Satellite (TESS), we are beginning to understand that Earth-like planets are common. In this work, we extend the Breakthrough Listen (BL) search for extraterrestrial intelligence to include targeted searches of stars identified by TESS as potential exoplanet hosts. We report on 113 30 minute cadence observations collected for 28 targets selected from the TESS Input Catalog from among those identified as containing signatures of transiting planets. The targets were searched for narrowband signals from 1 to 11 GHz using the turboSETI pipeline architecture modified for compatibility with the Google Cloud environment. Data were searched for drift rates of ±4 Hz s{sup −1} above a minimum signal-to-noise threshold of 10, following the parameters of previous searches conducted by Price et al. and Enriquez et al. The observations presented in this work establish some of the deepest limits to date over such a wide band (1–11 GHz) for life beyond Earth. We determine that fewer than 12.72% of the observed targets possess transmitters operating at these frequencies with an equivalent isotropic radiated power greater than our derived threshold of 4.9×10{sup 14} W.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Inverse design of two-dimensional materials with invertible neural networks

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable manner remains a highly challenging task. To tackle this problem, we propose an inverse design framework (MatDesINNe) utilizing invertible neural networks which can map both forward and reverse processes between the design space and target property. This approach can be used to generate materials candidates for a designated property, thereby satisfying the highly sought-after goal of inverse design. We then apply this framework to the task of band gap engineering in two-dimensional materials, starting with MoS 2 . Within the design space encompassing six degrees of freedom in applied tensile, compressive and shear strain plus an external electric field, we show the framework can generate novel, high fidelity, and diverse candidates with near-chemical accuracy. We extend this generative capability further to provide insights regarding metal-insulator transition in MoS 2 which are important for memristive neuromorphic applications, among others. This approach is general and can be directly extended to other materials and their corresponding design spaces and target properties.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Prospects of Nanoscience with Nanocrystals: 2025 Edition

Abstract Nanocrystals (NCs) of various compositions have made important contributions to science and technology, with their impact recognized by the 2023 Nobel Prize in Chemistry for the discovery and synthesis of semiconductor quantum dots (QDs). Over four decades of research into NCs has led to numerous advancements in diverse fields, such as optoelectronics, catalysis, energy, medicine, and recently, quantum information and computing. The last 10 years since the predecessor perspective “Prospect of Nanoscience with Nanocrystals” was published in ACS Nano have seen NC research continuously evolve, yielding critical advances in fundamental understanding and practical applications. Mechanistic insights into NC formation have translated into precision control over NC size, shape, and composition. Emerging synthesis techniques have broadened the landscape of compounds obtainable in colloidal NC form. Sophistication in surface chemistry, jointly bolstered by theoretical models and experimental findings, has facilitated refined control over NC properties and represents a trusted gateway to enhanced NC stability and processability. The assembly of NCs into superlattices, along with two-dimensional (2D) photolithography and three-dimensional (3D) printing, has expanded their utility in creating materials with tailored properties. Applications of NCs are also flourishing, consolidating progress in fields targeted early on, such as optoelectronics and catalysis, and extending into areas ranging from quantum technology to phase-change memories. In this perspective, we review the extensive progress in research on NCs over the past decade and highlight key areas where future research may bring further breakthroughs.

Chemistry↗

DOE OSTI2022

Hydroscaling indirect-drive implosions on the National Ignition Facility

A goal of the laser-based National Ignition Facility (NIF) is to increase the liberated fusion energy “yield” in inertial confinement fusion experiments well past the ignition threshold and the input laser energy. One method of increasing the yield, hydrodynamic scaling of current experiments, does not rely on improving compression or implosion velocity, but rather increases the scale of the implosion to increase hotspot areal density and confinement time. Indirect-drive (Hohlraum driven) implosions carried out at two target sizes, 12.5% apart, have validated hydroscaling expectations. Moreover, extending comparisons to the best-performing implosions at five different capsule sizes shows that their performance also agrees well with hydroscaling expectations even though not direct hydroscales of one another. In the future, by switching to a reduced loss Hohlraum geometry, simulations indicate that we can drive 20% larger-scale implosions within the current power and energy limitations on the NIF. Finally, at the demonstrated compression and velocity of these smaller-scale implosions, these 1.2× hydroscaled implosions should put us well past the ignition threshold.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Determining spin-dependent light dark matter rates from neutron scattering

The scattering and absorption rates of light dark matter with electron spin-dependent interactions depend on the target’s spin response. We show how this response is encoded by the target’s dynamical magnetic susceptibility, which can be measured using neutron scattering. We directly use existing neutron scattering data to compute the dark matter scattering rate in a candidate target material, finding close agreement with the previous first-principles calculation at MeV dark matter masses. Complementary experiments and measurements can extend the reach of this technique to other dark matter models and masses, and identify promising target materials for future experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

High gas throughput SOLPS-ITER simulations extending the ITER database to strong detachment

Abstract SOLPS-ITER simulations performed for Q DT = 10, P SOL = 100 MW burning plasmas on ITER extend the existing database to high values of separatrix averaged neon impurity concentration (⟨ c Ne ⟩ ≈ 6%) and divertor neutral pressure (⟨ p div ⟩ > 25 Pa) in order to determine the heat flux mitigation capability of these scenarios and whether strongly detached states are accessible. In the existing database of ITER simulations, the level of detachment was limited to cases where the integral ion flux to the outer target was greater than 80% of the value at rollover, with the impurity radiation localized near the target. With the possibility of narrow heat flux channels and increased deposited power due to tile shaping, it is important to explore operation at a higher degree of detachment. Two series of simulations were explored to extend the database of SOLPS simulations. By increasing the deuterium and neon puff rates proportionally, the peak divertor energy flux ( q ⊥,max ) is decreased from 5 to 3 MW m −2 while ⟨ p div ⟩ increased from 11 to 27 Pa. By increasing only the neon puff, q ⊥, max can be reduced to <1MW m −2 while ⟨ p div ⟩ is maintained at ∼ 11 Pa. As the neon puff level is increased, the position of the impurity radiation peak is shifted towards the X-point. At the highest neon puff levels with steady-state solutions, the electron temperature is reduced below 1 eV across 50 cm of each divertor target. The new cases extend previously observed tight relationships in power and momentum loss factors to low electron temperature improving their utility for highly detached regimes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Two-electron interference in two-photon attosecond double ionization of neon

The pump-probe experiments enabled by x-ray free-electron lasers (XFEL) will allow us to directly observe correlated electronic motion with attosecond time resolution by detecting photoelectron pairs in coincidence. In helium, the transition between the nonsequential and sequential regime in two-photon double ionization (TPDI) is well explained by a virtual-sequential model. Much less is known, however, about the TPDI process in more complex atoms. Recently, we extended the virtual-sequential model to arbitrary light pulses [Chattopadhyay Phys. Rev. A 108, 013114 (2023)]. This extension employs multichannel scattering states for the single ionization of both the neutral and the ionized target, which we initially applied to helium. In the present study, we show that our extended virtual-sequential model reproduces the qualitative features of the angularly integrated observables with available experimental results for neon, a considerably more complex target. We observe an intriguing feature of inverted two-particle interference in the joint-energy distribution of Ne compared to He. Finally, this phenomenon, attributable to the presence of a final doubly ionized state with triplet symmetry coupled to the two photoelectrons, should be observable with current experimental technologies.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Parameter dependencies of the separatrix density in low triangularity L-mode and H-mode JET-ILW plasmas

Abstract The midplane electron separatrix density, n e,sep , in JET-ILW L-mode and H-mode low triangularity deuterium fuelled plasmas exhibits a strong explicit dependence on the averaged outer divertor target electron temperature, n e,sep ∼ T e,ot −1/2 . This dependence is reproduced by analytic reversed two point model (rev-2PM), and arises from parallel pressure balance, as well as the ratio of the power and momentum volumetric loss factors, (1 − f cooling )/(1 − f mom-loss ). Quantifying the influence of the (1 − f cooling ) and (1 − f mom-loss ) loss factors on n e,sep has been enabled by measurement estimates of these quantities from L-mode density (fueling) ramps in the outer horizontal, VH(C), and vertical target, VV, divertor configurations. Rev-2PM n e,sep estimates from the extended H-mode and more limited L-mode datasets are recovered to within ±25% of the measurements, with a scaling factor applied to account for use of T e,ot , an averaged quantity, rather than flux tube resolved target values. Both the (1 − f cooling ) and (1 − f mom-loss ) trends and recovery of n e,sep using the rev-2PM formatting are reproduced in EDGE2D-EIRENE L-mode-like and H-mode-like density scan simulations. The general lack of a divertor configuration effect in the JET-ILW n e,sep trends can be attributed to a significant influence of main chamber recycling, which has been shown in the EDGE2D-EIRENE results to moderate n e,sep with respect to changes in divertor neutral leakage imposed by changes in the divertor configuration. The unified n e,sep vs T e,ot trends can, however, be broken if large modifications to the divertor geometry (e.g. complete removal of the outer divertor baffle structure) are introduced in the model. The more pronounced high-field side high density region formation in the VH(C) configuration with reduced clearance to the separatrix does not appear to have a significant influence on the outer midplane separatrix and pedestal parameters when mapped to T e,ot , although conditions at the inner midplane could not be assessed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Smarter building start – A distributed solution

A significant focus of research and new technologies for reducing energy use in buildings is on operating the systems more efficiently during the times when the systems are active. However, there is a large potential for energy savings in determining the periods when the systems should or should not be active. This scheduling aspect of operation is often overlooked even though relatively simple solutions can unlock substantial energy savings. In this paper we describe a smart building start (SBS) algorithm that considers multiple zones in a building to determine individual schedules for room controllers as well as the central systems based on solving a simple optimization problem. Application of the SBS algorithm to multiple interconnected systems enables a staggered start-up that minimizes peak loads and also ensures comfort is within a target range with minimal system run time. The SBS algorithm extends the capability of traditional optimal start and is designed to be simple to deploy and robust. Simulation results as well as results from tests in a real building with a VAV system are presented. The presented algorithm is applicable to any type of building with a zonal or multi-zone HVAC system. To function, it needs to be able to change setpoints in rooms and monitor room temperatures, as well as, if desired, turn the central system on or off.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

Combined search for electroweak production of winos, binos, higgsinos, and sleptons in proton-proton collisions at s = 13 TeV

A combination of the results of several searches for the electroweak production of the supersymmetric partners of standard model bosons, and of charged leptons, is presented. All searches use proton-proton collision data at s = 13 TeV recorded with the CMS detector at the LHC in 2016–2018. The analyzed data correspond to an integrated luminosity of up to 137 fb − 1 . The results are interpreted in terms of simplified models of supersymmetry. Two new interpretations are added with this combination: a model spectrum with the bino as the lightest supersymmetric particle together with mass-degenerate Higgsinos decaying to the bino and a standard model boson, and the compressed-spectrum region of a previously studied model of slepton pair production. Improved analysis techniques are employed to optimize sensitivity for the compressed spectra in the wino and slepton pair production models. The results are consistent with expectations from the standard model. The combination provides a more comprehensive coverage of the model parameter space than the individual searches, extending the exclusion by up to 125 GeV, and also targets some of the intermediate gaps in the mass coverage. © 2024 CERN, for the CMS Collaboration 2024 CERN

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Multimodal Instrument Concepts for Chemical Sciences at Second Target Station

The development of advanced chemical and energy systems is inherently complex, relying heavily on their unique pathways. Because no two catalysts or batteries follow exactly the same kinetic trajectories, conventional sequential measurements often obscure crucial relationships between structure and dynamics through statistical averaging. This report introduces two neutron scattering instrument concepts for the Second Target Station (STS) specifically designed to overcome this barrier: the Extended Q-range Diffractometer (EQD) and the Multimodal Chemical Spectrometer (MCS).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

DOE OSTI2024

Challenging Common Assumptions of Thick-Wall Chamber Dynamics in Inertial Fusion Systems using MOOSE

As an increasing number of companies look toward commercial Inertial Fusion Energy (IFE) designs, there is a pressing need to understand the physics of thick-wall chamber gas dynamics. The thick liquid wall approach implements a renewable wall to mitigate the fusion target emissions, thereby reducing the radiation damage rate and significantly extending the lifetime of chamber structures, leading to increased plant availability and reduced waste streams in comparison to dry wall chamber designs. It is necessary, however, to assess the critical performance and safety aspects of these systems. For example, it is crucial to predict (1) where the mass ablated from the liquid walls will vent, which determines the placement of condensing surfaces; (2) debris propagation up the beam lines, which provides essential information for design and protection requirements; (3) peak pressures and impulse on chamber walls, which affect chamber structural design; and (4) momentum transfer to the liquid jets, which constrains the shape and positioning of the jets. In turn, the chamber design and its liquid walls affect shielding requirements, material activation, and tritium fuel cycle. Currently available simulation tools, however, are unable to accurately capture key thick-wall chamber dynamics. Significant assumptions are often made to simplify the system and reduce computational cost and modeling capability needs, but the impact of these assumptions on simulation predictions has not been evaluated. For example, no three-dimensional simulations can be found in the open literature to evaluate gas venting and momentum transfer to the jets with simulations using two-dimensional domains to represent complex three-dimensional geometries. Moreover, limited studies have been dedicated to jet breakup due to both turbulence and neutron heating, and no studies have been found that evaluate how jet breakup can impact shock-jet interaction. Furthermore, effects of radiative heat transfer have rarely been included for the hydrodynamic phase of shock propagation, and integration of proper equations of state in shock dynamics codes has been mostly exploratory. In this study, we use the flexible, high-fidelity Multiphysics Object-Oriented Simulation Environment (MOOSE) to model these complex phenomena and inform design and safety studies. Capabilities to model thick-wall chamber gas dynamics are being developed, and the impact of the assumptions listed above (i.e., two-dimensional vs three-dimensional, absence of jet breakout, no radiative heat transfer, and ideal gas behavior) are being quantified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Challenging Common Assumptions of Thick-Wall Chamber Dynamics in Inertial Fusion Systems Using MOOSE-based Multiphysics Simulations

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Modeling of plasma beta effects on the island divertor transport in the standard configuration of W7-X

The influence of plasma beta effects on the edge plasma transport in the Wendelstein 7-X standard configuration is studied systematically by using EMC3-EIRENE combined with a 3D equilibrium code named HINT. The magnetic topology changes induced by plasma beta effects are significantly reflected in plasma transport behaviors and heat flux patterns on divertor targets. After validating the modeling strategy by comparisons with experimental data, the extended simulations for high performance plasmas show that the threshold separatrix density for accessing the power detachment is reduced in higher beta plasmas. Compared with the vacuum field case, the impurity radiation distributions with finite beta effects are modified in the magnetic island region. The divertor heat flux is distributed more evenly along the toroidal direction on the strike line at the vertical target. The strike line on the horizontal target moves towards the pumping gap with an increase in the plasma beta. In addition, the different pressure profiles with the same central beta also result in a modified heat flux pattern on the divertor targets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗