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DOE OSTI2020

MoorDyn V2: New Capabilities in Mooring System Components and Load Cases

MoorDyn, an open-source mooring dynamics model, is being expanded with capabilities for additional mooring system features and load cases. As floating wind turbine technology matures, mooring systems are becoming more sophisticated and more complex scenarios need to be considered in the design process. Mooring systems may have synthetic line materials, ballast/buoyancy bodies along the lines, or interconnections between platforms. Failure modes may involve multiple cascading line failures that depend on mooring system dynamics. Features recently added to MoorDyn aim to address these emerging needs. MoorDyn’s linear elasticity model has been supplemented to support user-defined stress-strain curves, which can be adjusted to represent synthetic mooring materials. Rigid six-degree-of-freedom bodies in the mooring system can now be modeled using two new model objects. “Rod” objects provide an option for rigid cylindrical bodies. They use the existing Morison equation-based hydrodynamics model and can be connected to mooring lines at either end. “Body” objects provide a generic six-degree-of-freedom rigid-body representation based on a lumped-parameter model of translational and rotational properties. Rod objects can be added to Body objects and mooring lines can be attached at any location, allowing a wide variety of submerged structures to be integrated into the mooring system. Lastly, a means of dynamically simulating mooring line failures has been implemented. These new features, currently in the C++ version of MoorDyn, are described and then demonstrated on a two-turbine shared-mooring array. A qualitative view of the results suggests the new features are functioning as expected.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

DOE OSTI2021

Bridge Seismic Screening Tool (BSST), Version 2.0

The Regional Resiliency Assessment Program (RRAP) is a cooperative assessment of specific critical infrastructure within a designated geographic area and a regional analysis of the surrounding infrastructure that addresses a range of infrastructure resilience issues that could have regionally and nationally significant consequences. In 2018, DHS’s Cybersecurity and Infrastructure Security Agency (CISA) sponsored the Oregon Transportation Systems RRAP project in coordination with the Office of the Governor (under the oversight of the state resilience officer), the Oregon Office of Emergency Management (OEM), the Oregon Department of Transportation (ODOT), and other regional stakeholders (CISA 2021). This project focuses on assessing the impacts of a Cascadia Subduction Zone (CSZ) earthquake on state transportation systems and, in particular, how those impacts may affect the ability of emergency response efforts to move supplies into the region. The intended outcome of this analysis is the prioritization of transportation routes and modes for additional planning, investment, hardening, or other activities to enhance their resilience—and therefore, to enhance their ability to support response and recovery efforts following a CSZ earthquake. An important part of this transportation system-level assessment has been to assess the seismic vulnerability of the state highway system. In doing so, the RRAP project team used the Bridge Seismic Screening Tool (BSST) to assess, at a system-level, the potential impacts that a CSZ earthquake could have on state highway bridges (Bergerson et al. 2019).1 Argonne National Laboratory (Argonne), in collaboration with the Washington State Department of Transportation (WSDOT), originally developed the BSST as part of the 2017 Washington State Transportation Systems RRAP project, a sister project to the 2018 Oregon Transportation Systems RRAP project. Argonne updated the BSST during this more recent project in Oregon based on feedback from stakeholders and subject matter experts (SMEs) on the original version of the tool. The first step in the BSST is to assess the seismic vulnerability of roadway bridges following a CSZ earthquake to determine a projected or potential damage state. Damage states then help determine approximate reopening times for bridge crossings.2 This document provides details on the BSST methodology, the implementation of that tool to analyze the projected damage incurred in a CSZ earthquake scenario, and the determination of corresponding reopening times of interstate, state highway, and local bridges following such an event.

58 GEOSCIENCES↗

DOE OSTI2025

ELM 1016706669-AA B581 GDE01 Generator Summary pg 4-5 only

The table below shows the general load breakdown for 581GDE01. Although the total connected load exceeds the generator’s 150kW nameplate capacity, the normal configured load during standby power mode is less, which was measured at 81kW, or 54%, during preventive maintenance activities on 12/12/24. The generator’s available spare capacity must account for dynamically changing loads that can increase the total power demand at any time. If the two online VFD’s are operated at full speed the actual standby mode load is estimated to increase by 38kW, which would bring the total configured load during standby power mode to 119kW, or 79%, still within 581GDE01’s acceptable capacity. Per the LLNL Site 200 Generator Consolidation Final Study 2022, “Standby Emergency Generator nameplate ratings are based upon operation with varying load averaging 70% of the nameplate for 200 hours per year. Continuous loading between 70% and 100% will reduce a generator’s expected lifetime before a major overhaul. This is never a problem with Laboratory machines because of conservative application of generators and the reliability of the normal power system combines to keeps the load and hours down”. To achieve optimal performance and prolong generator life, the recommended generator loading is between 40% and 70%, optimally at 70%, which 581GDE01 appropriately falls within.

42 ENGINEERING↗

DOE OSTI2020

MoorDyn V2: New Capabilities in Mooring System Components and Load Cases: Preprint

49 EE - Wind and Water Power Program - Wind (EE-4W↗

DOE OSTI2026

A Permanently Porous Chalcogen-Bonded Organic Framework

The nature of connectivity between constituent atomic or molecular building blocks is fundamental in shaping the properties and functionality of materials. The extrapolation of emergent interatomic interactions to enable functional materials has driven transformative technological advancements. However, the bonding interactions used in material design have been largely static since the emergence of dynamic covalent chemistry ~30 years ago. Here we demonstrate that non-covalent chalcogen bonding (Ch-bonding) is a distinct mode of interatomic connectivity for constructing functional materials by design. This is established by leveraging self-complementary assembly of 1,2,5-telluradiazole moieties to construct a honeycomb-type permanently porous Ch-bonded organic framework, assembled and stabilized solely through non-covalent Te...N contacts. Empirical and computational studies of electronic structure, structural healing and lattice dynamics highlight the pi-type electronic communication, controlled assembly and modulated lattice dynamics in Trip3Tez-I arising directly from the unique nature of the Te...N Ch-bonding that holds substantial implications for next generation crystalline semiconductors. In addition to introducing a distinct class of permanently porous frameworks, this work establishes Ch-bonding as a programmable molecular tool for constructing functional materials with distinct properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Navigating Urban Mobility: Evaluating Infrastructure Strategies for Enhanced Energy-Efficient Access for Micromobility

Cities and communities continue to expand pedestrian and bicycle infrastructure as part of their sustainable mobility and post-pandemic recovery plans. However, the emergence of micro-mobility (e.g., electric bicycles) has created new challenges for urban transport planning. As the popularity of micro-mobility modes has grown, so have safety concerns due to rising injuries, thus challenging many cities to come up with regulatory measures that enable efficient access while minimizing negative impacts from micro-mobility. Leveraging the Open-Source Tool (Mobility Energy Productivity metric), powered by an open-source dataset (OpenStreetMap), and enhanced through the incorporation of perceived discomfort (level-of-traffic stress), this research study focuses on evaluating the accessibility implications of infrastructure planning and regulatory measures for micro-mobility. Five scenarios pertaining to level of traffic stress, sidewalk access, traffic calming, and bike lane coverage were tested in the Denver-Aurora region in Colorado. Maximum improvements in energy-efficient access are realized when allowing sidewalks for micro-mobility use. Cities and planning agencies could leverage this information to assess sidewalk use policies for micro-mobility, while ensuring pedestrian safety and ADA access. Results indicate that expansion of bicycle lane coverage yields 11% accessibility benefits for micro-mobility compared to implementing traffic calming measures yielding 3% accessibility improvements. Further, it was observed most of the population in the Denver-Aurora region is experiencing lower accessibility in-part due to presence of a high-stress connections in the network. Although not generalizable, the use of open-source data and access calculation methodology, make this analysis reproducible and transferable to other locations.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2023

Accelerated Stress Testing of Perovskite Photovoltaic Modules: Differentiating Degradation Modes with Electroluminescence Imaging

Herein, electroluminescence (EL) and thermal imaging are used to examine p–i–n metal halide perovskite (MHP) photovoltaic (PV) mini-modules (MA0.6FA0.4PbI3, 20 cells, 78 cm2) before and after indoor-accelerated stress testing or outdoor deployment. Distinct spatial patterns in the EL images emerge, which depend on the external stress conditions experienced by the mini-module. Imaging results highlight a distribution of dark speckle features that dominate after UV stress, attributed to widespread interfacial contact degradation. Lateral intensity gradients across cells dominate after thermal cycling (TC) stress, attributed to current crowding near scribe defects. While current–voltage analysis alone does not give full insight on the degradation process, this study shows that distinct degradation modes can be further defined by multimodal electro-optical imaging (i.e., EL combined with photoluminescence and dark lock-in thermography). Neither UV exposure nor TC-accelerated stress testing alone replicates the same degradation signatures observed after outdoor deployment, suggesting that multiple degradation modes occur under concurrent stressors outdoors. Finally, spatial characterization of degradation modes in MHP PV mini-modules before and after accelerated stress testing lays the groundwork for developing targeted accelerated stress testing procedures through comparison with outdoor aging.

14 SOLAR ENERGY↗

DOE OSTI2021

Mesoscale Confinement Effects and Emergent Quantum Interference in Titania Antidot Thin Films

The effect of confinement on electron and ion transport in oxide films is of interest both fundamentally and technologically for the design of next-generation electronic devices. In metal oxides with mobile ions and vacancies, it is the interplay of the different modes of charge transport and the corresponding current–voltage signatures that is of interest. We developed a patterned structure in titania films, with feature sizes of 11–20 nm, that allow us to explore confined transport. In this study, we describe how confinement changes the competing charge transport mechanisms, the patterned antidot array leads to displacement fields and confines the charge density that results in modified and emergent electron transport with an increase in conductivity. This emergent behavior can be described by considering electron interference effects. Characterization of the charge transport with electron holography and impedance spectroscopy, and through comparison with modeling, show that nanoscale confinement is a way to control quantum interference.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Comprehensive characterization of N- and O- glycosylation of SARS-CoV-2 human receptor angiotensin converting enzyme 2

The emergence of the coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has created the need for development of new therapeutic strategies. Understanding the mode of viral attachment, entry and replication has become a key aspect of such interventions. The coronavirus surface features a trimeric spike (S) protein that is essential for viral attachment, entry and membrane fusion. The S protein of SARS-CoV-2 binds to human angiotensin converting enzyme 2 (hACE2) for entry. Herein, we describe glycomic and glycoproteomic analysis of hACE2 expressed in HEK293 cells. We observed high glycan occupancy (73.2 to 100%) at all seven possible N-glycosylation sites and surprisingly detected one novel O-glycosylation site. To deduce the detailed structure of glycan epitopes on hACE2 that may be involved in viral binding, we have characterized the terminal sialic acid linkages, the presence of bisecting GlcNAc and the pattern of N-glycan fucosylation. We have conducted extensive manual interpretation of each glycopeptide and glycan spectrum, in addition to using bioinformatics tools to validate the hACE2 glycosylation. Our elucidation of the site-specific glycosylation and its terminal orientations on the hACE2 receptor, along with the modeling of hACE2 glycosylation sites can aid in understanding the intriguing virus-receptor interactions and assist in the development of novel therapeutics to prevent viral entry. Here, the relevance of studying the role of ACE2 is further increased due to some recent reports about the varying ACE2 dependent complications with regard to age, sex, race and pre-existing conditions of COVID-19 patients.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

The theoretical study on intermittency and propagation of geodesic acoustic mode in L-mode discharge near tokamak edge

Abstract Through a systematically developed theory, we demonstrate that the motion of Instanton identified in Zhang et al (2017 Phys. Plasmas 24 122304) is highly correlated to the intermittent excitation and propagation of geodesic acoustic mode (GAM) that is observed in tokamaks. While many numerical simulations have observed the phenomena, it is the first theory that reveals the physical mechanism behind GAM intermittent excitation and propagation. The preceding work is based on the micro-turbulence associated with toroidal ion temperature gradient mode, and slab-based phenomenological model of zonal flow. When full toroidal effect is introduced into the system, two branches of zonal flow emerge: the torus-modified low frequency zonal flow (TLFZF), and GAM, necessitating a unified exploration of GAM and TLFZF. Indeed, we observe that the transition from the Caviton to Instanton is triggered by a rapid zero-crossing of radial group velocity of drift wave and is found to be strongly correlated with the GAM onset. Many features peculiar to intermittent GAMs, observed in real machines, are thus identified in the numerical experiment. The results will be displayed in figures and in a movie; first for single central rational surface, and then with coupled multiple central rational surfaces. The periodic bursting first shown disappears as being replaced by irregular one, more similar to the intermittent characteristics observed in GAM experiments.

Physics↗

DOE OSTI2025

Observation of Persistent Zero Modes and Superconducting Vortex Doublets in UTe 2

Superconducting vortices can reveal electron pairing details and nucleate topologically protected states. Yet, vortices of bulk spin-triplet superconductors have never been visualized at the atomic scale. Recently, UTe 2 has emerged as a prime spin-triplet superconductor, but its superconducting order parameter is elusive, and whether time-reversal symmetry (TRS) is broken remains unsettled. Here, in this work, we visualize vortices on the (011) surface of ultraclean UTe 2 single crystals (T c = 2.1 K) using scanning tunneling microscopy (STM). We introduce $\frac{d^{2}𝐼}{d𝑉^{2}}$ imaging as an effective technique for vortex visualization in superconductors with substantial residual zero-energy density of states (DOS), as in UTe 2 . Anisotropic single-flux-quantum vortices, with coherence lengths of ∼12 nm (4 nm) parallel (perpendicular) to the a -axis, form a triangular vortex lattice (VL) under a small out-of-plane magnetic field. The invariance of vortex structures and VL under changes of field polarity and cooling history strongly supports time-reversal invariant superconductivity under zero field. At vortex cores (VCs), nonsplit, spectrally sharp zero-bias conductance peaks (ZBPs) persist up 8 T that are consistent with symmetry-protected Majorana zero modes (MZMs) in a topological vortex line. Close examination of vortex structures reveals a mirror-asymmetric doublet─one with ZBPs and another with an enhanced apparent gap, possibly originating from a field-induced multicomponent order parameter.

UTe2↗

DOE OSTI2022

Tunable interaction between excitons and hybridized magnons in a layered semiconductor

The interaction between distinct excitations in solids is of both fundamental interest and technological importance. One example of such interactions is coupling between an exciton, a Coulomb bound electron-hole pair, and a magnon, a collective spin excitation. The recent emergence of van der Waals magnetic semiconductors1 provides a powerful platform for exploring these exciton-magnon interactions and their fundamental properties, such as strong correlation2, as well as their photo-spintronic and quantum transduction3 applications. Here we demonstrate precise control of coherent exciton-magnon interactions in the layered magnetic semiconductor CrSBr. We show that by controlling the direction of applied magnetic fields relative to the crystal axes, and thus the rotational symmetry of the magnetic system4, we can tune not only the exciton coupling to the bright magnon, but also to an optically dark mode via magnon hybridization. The exciton-magnon coupling and associated magnon dispersion curves can be further modulated by applying a uniaxial strain. At the critical strain, a dispersionless dark magnon band emerges. Our results demonstrate unprecedented control of the opto-mechanical-magnonic coupling, and a step towards the predictable and controllable implementation of hybrid quantum magnonics.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2021

Insights into the emergence of mass from studies of pion and kaon structure

There are two mass generating mechanisms in the standard model of particle physics (SM). One is related to the Higgs boson and fairly well understood. The other is embedded in quantum chromodynamics (QCD), the SM’s strong interaction piece; and although responsible for emergence of the roughly 1 GeV mass scale that characterises the proton and hence all observable matter, the source and impacts of this emergent hadronic mass (EHM) remain puzzling. As bound states seeded by a valence-quark and -antiquark, pseudoscalar mesons present a simpler problem in quantum field theory than that associated with the nucleon. Consequently, there is a large array of robust predictions for pion and kaon properties whose empirical validation will provide a clear window onto many effects of both mass generating mechanisms and the constructive interference between them. This has now become significant because new-era experimental facilities, in operation, construction, or planning, are capable of conducting such tests and thereby contributing greatly to resolving the puzzles of EHM. These aspects of experiment, phenomenology, and theory, along with contemporary successes and challenges, are reviewed herein. In addition to providing an overview of the experimental status, we focus on recent progress made using continuum Schwinger function methods and lattice-regularised QCD. Further, advances made using other theoretical tools are also sketched. Our primary goal is to highlight the potential gains that can accrue from a coherent effort aimed at finally reaching an understanding of the character and structure of Nature’s Nambu–Goldstone modes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Phonon dynamics in the site-disordered Kitaev spin liquid

The Kitaev honeycomb model provides a paradigmatic example of an exactly solvable quantum spin liquid (QSL), where spins fractionalize into itinerant Majorana fermions coupled to a static background of ℤ 2 gauge fluxes. This model has attracted significant interest due to its potential experimental realization in spin-orbit Mott insulators like 𝛼−RuCl 3 . Among various experimental techniques, ultrasound measurements of sound attenuation have emerged as a promising approach to detect spin fractionalization in these materials. However, deviations from the ideal Kitaev model, often due to disorder, introduce localized modes that dominate the low-energy physics. To investigate these effects, we calculate the sound attenuation coefficient in the site-disordered Kitaev honeycomb model under an applied magnetic field that breaks time-reversal symmetry. Our analysis reveals that quasilocalized modes from quasivacancies impact the phonon self-energy, yet the sound attenuation coefficient maintains its sixfold symmetry and linear temperature dependence at low temperatures, even with disorder. This robustness underscores sound attenuation's reliability as a probe for spin fractionalization. As a result, we show that this linear behavior persists under an external field and in the random-flux sector, highlighting the persistent influence of fractionalized excitations, despite disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Dual-Band Polarization Control with Pairwise Positioning of Polarization Singularities in Metasurfaces

Emerging applications of metasurfaces in classical and quantum optics are driving the need for precise polarization control of nearly-degenerate, high quality (𝑄)-factor modes. However, current approaches to creating specifically polarized pairs of modes force a trade-off between maintaining high 𝑄 factors and robustness. Here, we solve this challenge by employing pairwise generation, annihilation, and positioning of polarization singularities, derived from symmetry-guaranteed pairs of symmetry-protected bound states in the continuum. We experimentally demonstrate this design paradigm in silicon metasurfaces with mode splittings of ≈ 20 nm, mode splitting deviations as low as 1 nm, and 𝑄 factors up to 200. Furthermore, this approach opens new avenues for enhancing metasurface performance across a diverse range of applications, including sensing, modulating, nonlinear mixing, and generating quantum light.

Metasurfaces↗

DOE OSTI2026

Structure and sequence evolution in the pennycress ( Thlaspi arvense ) pangenome

Eukaryotic genomes harbor many forms of variation, including nucleotide diversity and structural polymorphisms, which experience natural selection and contribute to genome evolution and biodiversity. Harnessing this variation for agriculture hinges on our ability to detect, quantify, catalog, and deploy genetic diversity. Here, we explore seven complete genomes of the emerging biofuel crop pennycress ( Thlaspi arvense ) drawn from across the species' current genetic diversity to catalog variation in genome structure and content. Across this new pangenome resource, we find contrasting evolutionary modes in different genomic zones. Gene-poor, repeat-rich pericentromeric regions experience frequent rearrangements, including repeated centromere repositioning. By contrast, conserved gene-dense chromosome arms maintain large-scale synteny across accessions even in fast-evolving NOD-like receptor immune genes, where microsynteny breaks down across species, but gene cluster positioning macrosynteny is maintained. Our findings highlight that multiple elements of the genome experience dynamic evolution that conserves functional content on the chromosome scale but allows repositioning and presence–absence variation on a local scale. This diversity is invisible to classical reference-based strategies and highlights the strength and utility of pangenomic resources. These results provide a valuable case study of rapid genomic structural evolution within a species and powerful resources for crop development in an emerging biofuel crop.

Thlaspi arvense↗

DOE OSTI2023

Photon rings around warped black holes

Abstract The black hole photon ring is a prime target for upcoming space-based VLBI missions seeking to image the fine structure of astrophysical black holes. The classical Lyapunov exponents of the corresponding nearly bound null geodesics control the quasinormal ringing of a perturbed black hole as it settles back down to equilibrium, and they admit a holographic interpretation in terms of quantum Ruelle resonances of the microstate dual to the Kerr black hole. Recent work has identified a number of emergent symmetries related to the intricate self-similar structure of the photon ring. Here, we explore this web of interrelated phenomena in an exactly soluble example that arises as an approximation to the near-extremal Kerr black hole. The self-dual warped AdS 3 geometry has a photon ring as well as S L ( 2 , R ) isometries and an exactly calculable quasinormal mode (QNM) spectrum. We show explicitly that the geometric optics approximation reproduces the eikonal limit of the exact scalar QNM spectrum, as well as the approximate ‘near-ring’ wavefunctions. The S L ( 2 , R ) isometries are directly related to the emergent conformal symmetry of the photon ring in black hole images but are distinct from a recently discussed conformal symmetry of the eikonal QNM spectrum. The equivalence of the classical QNM spectrum—and thus the photon ring—to the quantum Ruelle resonances in the context of a spacetime with a putative holographic dual suggests that the photon ring of a warped black hole is indeed part of the black hole hologram.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Dynamic Bubbling Balanced Proactive CO 2 Capture and Reduction on a Triple-Phase Interface Nanoporous Electrocatalyst

The formation and preservation of the active phase of the catalysts at the triple-phase interface during CO 2 capture and reduction is essential for improving the conversion efficiency of CO 2 electroreduction toward value-added chemicals and fuels under operational conditions. Designing such ideal catalysts that can mitigate parasitic hydrogen generation and prevent active phase degradation during the CO 2 reduction reaction (CO 2 RR), however, remains a significant challenge. Herein, we developed an interfacial engineering strategy to build a new SnO x catalyst by invoking multiscale approaches. This catalyst features a hierarchically nanoporous structure coated with an organic F-monolayer that modifies the triple-phase interface in aqueous electrolytes, substantially reducing competing hydrogen generation (less than 5%) and enhancing CO 2 RR selectivity (~90%). This rationally designed triple-phase interface overcomes the issue of limited CO 2 solubility in aqueous electrolytes via proactive CO 2 capture and reduction. Concurrently, we utilized pulsed square-wave potentials to dynamically recover the active phase for the CO 2 RR to regulate the production of C1 products such as formate and carbon monoxide (CO). This protocol ensures profoundly enhanced CO 2 RR selectivity (~90%) compared with constant potential (~70%) applied at -0.8 V (V vs RHE). We further achieved a mechanistic understanding of the CO 2 capture and reduction processes under pulsed square-wave potentials via in situ Raman spectroscopy, thereby observing the potential-dependent intensity of Raman vibrational modes of the active phase and CO 2 RR intermediates. Finally, this work will inspire material design strategies by leveraging triple-phase interface engineering for emerging electrochemical processes, as technology moves toward electrification and decarbonization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗