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DOE OSTI2021

Ocean Energy Systems Wave Energy Modeling Task 10.4: Numerical Modeling of a Fixed Oscillating Water Column

This paper reports on an ongoing international effort to establish guidelines for numerical modeling of wave energy converters, initiated by the International Energy Agency Technology Collaboration Program for Ocean Energy Systems. Initial results for point absorbers were presented in previous work, and here we present results for a breakwater-mounted Oscillating Water Column (OWC) device. The experimental model is at scale 1:4 relative to a full-scale installation in a water depth of 12.8 m. The power-extracting air turbine is modeled by an orifice plate of 1–2% of the internal chamber surface area. Measurements of chamber surface elevation, air flow through the orifice, and pressure difference across the orifice are compared with numerical calculations using both weakly-nonlinear potential flow theory and computational fluid dynamics. Both compressible- and incompressible-flow models are considered, and the effects of air compressibility are found to have a significant influence on the motion of the internal chamber surface. Recommendations are made for reducing uncertainties in future experimental campaigns, which are critical to enable firm conclusions to be drawn about the relative accuracy of the numerical models. It is well-known that boundary element method solutions of the linear potential flow problem (e.g., WAMIT) are singular at infinite frequency when panels are placed directly on the free surface. This is problematic for time-domain solutions where the value of the added mass matrix at infinite frequency is critical, especially for OWC chambers, which are modeled by zero-mass elements on the free surface. A straightforward rational procedure is described to replace ad-hoc solutions to this problem that have been proposed in the literature.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

Improved Air-Conditioning Demand Response of Connected Communities over Individually Optimized Buildings

Connected communities potentially offer much greater demand response capabilities over singular building energy management systems (BEMS) through an increase of connectivity. The potential increase in benefits from this next step in connectivity is still under investigation, especially when applied to existing buildings. This work utilizes EnergyPlus simulation results on eight different commercial prototype buildings to estimate the potential savings on peak demand and energy costs using a mixed-integer linear programming model. This model is used in two cases: a fully connected community and eight separate buildings with BEMS. The connected community is optimized using all zones as variables, while the individual buildings are optimized separately and then aggregated. These optimization problems are run for a range of individual zone flexibility values. The results indicate that a connected community offered 60.0% and 24.8% more peak demand savings for low and high flexibility scenarios, relative to individually optimized buildings. Energy cost optimization results show only marginally better savings of 2.9% and 6.1% for low and high flexibility, respectively.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2024

Yield and Survival of 19 Cultivars of Willow (Salix spp.) Biomass Crops over Eight Rotations

This study reveals patterns of yield and survival of short-rotation coppice (SRC) willow cultivars over eight rotations (1993–2019). Cultivars fell into four broad categories: commercial, released, stable, and decline. SV1, the singular cultivar that advanced to commercial deployments, had first-rotation yields of 8.9 Mg ha−1 a−1, peaking at 15.2 Mg ha−1 a−1 by the fourth. Mean yields from rotations 2–8 were still 36% above first-rotation yields, confirming the commercial potential for this cultivar over 26 years. The released group (four cultivars) had stable yields over six rotations (approximately 3 to 7 Mg ha−1 a−1), rising to match commercial yields (10 Mg ha−1 a−1) between the sixth and eighth rotation. Most of the cultivars were in the stable group that had relatively consistent yields over time. First-rotation yields in this group were approximately 5 Mg ha−1 a−1, and average yield increased by 23% for rotations 2–8. The two cultivars in the decline group were impacted by disease and browsing that lowered survival and growth. These findings are crucial for understanding willow systems’ potential over their full lifespan as a bioenergy crop, which is a crucial input into yield, economic, and environmental models.

Santucci, Shane↗

DOE OSTI2025

Electrical Transport Interplay with Charge Density Waves, Magnetization, and Disorder Tuned by 2D van der Waals Interface Modification via Elemental Intercalation and Substitution in ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 Crystals

Electrical transport in 2D materials exhibits unique behaviors due to reduced dimensionality, broken symmetries, and quantum confinement. It serves as both a sensitive probe for the emergence of coherent electronic phases and a tool to actively manipulate many-body correlated states. Exploring their interplay and interdependence is crucial but remains underexplored. This review integratively cross-examines the atomic and electronic structures and transport properties of van der Waals-layered crystals ZrTe 3 , 2H-TaS 2 , and Cr 2 Si 2 Te 6 , providing a comprehensive understanding and uncovering new discoveries and insights. A common observation from these crystals is that modifying the atomic and electronic interface structures of 2D van der Waals interfaces using heteroatoms significantly influences the emergence and stability of coherent phases, as well as phase-sensitive transport responses. In ZrTe 3 , substitution and intercalation with Se, Hf, Cu, or Ni at the 2D vdW interface alter phonon–electron coupling, valence states, and the quasi-1D interface Fermi band, affecting the onset of CDW and SC, manifested as resistance upturns and zero-resistance states. We conclude here that these phenomena originate from dopant-induced variations in the lattice spacing of the quasi-1D Te chains of the 2D vdW interface, and propose an unconventional superconducting mechanism driven by valence fluctuations at the van Hove singularity, arising from quasi-1D lattice vibrations. Short-range in-plane electronic heterostructures at the vdW interface of Cr 2 Si 2 Te 6 result in a narrowed band gap. The sharp increase in in-plane resistance is found to be linked to the emergence and development of out-of-plane ferromagnetism. The insertion of 2D magnetic layers such as Mn, Fe, and Co into the vdW gap of 2H-TaS 2 induces anisotropic magnetism and associated transport responses to magnetic transitions. Overall, 2D vdW interface modification offers control over collective electronic behavior, transport properties, and their interplays, advancing fundamental science and nanoelectronic devices.

2D van der Waals interfaces↗

DOE OSTI2020

Integrated Approach to Investigating Historic Cemeteries

Ground-penetrating radar (GPR) and terrestrial laser scanning (TLS) surveys were conducted at a historic cemetery at Cape Canaveral Air Force Station, Florida, U.S., in order to confirm the presence of burials corresponding to grave markers and detect potential unmarked burials. Noise in the GPR data from surface features and subtle terrain differences must be addressed to determine the extent of anomalies of interest. We use singular value decomposition (SVD) to isolate and remove energy from GPR data. SVD allows one to remove unwanted signals that traditional processing techniques cannot. With SVD filtering, we resolve an anomaly adjacent to confirmed burials otherwise overprinted by unwanted signal. The migration of SVD-filtered data produces more distinct, spatially constrained point reflectors. Ground elevation is derived from georeferenced TLS data and compared to that from airborne laser scanning (ALS) to highlight subtle terrain that can assist data interpretation. TLS elevations show a subtle modern mound over the burial plot where ALS elevations show a depression. The targets of interest are approximately 20–30 cm higher in elevation if a topographic correction is performed using TLS versus ALS. In archaeological applications, a notable change is often recorded at the sub-meter scale. The combined approach presented here better resolves geophysical response of buried features and their positions in the ground relative to each other.

Downs, Christine (ORCID:0000000237229381)↗

DOE OSTI2025

Black Holes and de Sitter Space as Time Mirrors

It is usually assumed that matter disappears together with the spacetime at the center of a Schwarzschild black hole (BH). Here, we find that if we impose a boundary condition that the field does not disappear at the BH center (that is, field flux into the singularity vanishes), the BH acts as a time mirror that totally reflects the infalling light and matter outside the BH. Namely, the reflected field propagates backward in time, passes the event horizon and moves away from the BH. In this case, a BH can be used as a time machine that allows us to send a signal into the past. We also show that de Sitter spacetime acts as a time mirror provided particles do not disappear from the spacetime at r=∞.

Svidzinsky, Anatoly (ORCID:0000000247756767)↗

DOE OSTI2021

Stringy Bubbles Solve de Sitter Troubles

Finding four-dimensional de Sitter spacetime solutions in string theory has been a vexing quest ever since the discovery of the accelerating expansion of the universe. Building on a recent analysis of bubble-nucleation in the decay of (false-vacuum) AdS backgrounds where the interfacing bubbles themselves exhibit a de Sitter geometry we show that this resonates strongly with a stringy cosmic brane construction that naturally provides for an exponential mass-hierarchy and the localization of both gravity and matter, in addition to an exponentially suppressed positive cosmological constant. Finally, we argue that these scenarios can be realized in terms of a generalization of a small resolution of a conifold singularity in the context of a (Lorentzian) Calabi–Yau 5-fold, where the isolated (Lorentzian) two complex dimensional Fano variety is a four-dimensional de Sitter spacetime.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Semiclassical Trans-Series from the Perturbative Hopf-Algebraic Dyson-Schwinger Equations: $\phi$ 3 QFT in 6 Dimensions

We analyze the asymptotically free massless scalar $\phi$ 3 quantum field theory in 6 dimensions, using resurgent asymptotic analysis to find the trans-series solutions which yield the non-perturbative completion of the divergent perturbative solutions to the Kreimer–Connes Hopf-algebraic Dyson–Schwinger equations for the anomalous dimension. This scalar conformal field theory is asymptotically free and has a real Lipatov instanton. In the Hopf-algebraic approach we find a trans-series having an intricate Borel singularity structure, with three distinct but resonant non-perturbative terms, each repeated in an infinite series. These expansions are in terms of the renormalized coupling. The resonant structure leads to powers of logarithmic terms at higher levels of the trans-series, analogous to logarithmic terms arising from interactions between instantons and anti-instantons, but arising from a purely perturbative formalism rather than from a semi-classical analysis.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Wolf-Rayet Galaxies in SDSS-IV MaNGA. II. Metallicity Dependence of the High-mass Slope of the Stellar Initial Mass Function

As hosts of living high-mass stars, Wolf-Rayet (WR) regions or WR galaxies are ideal objects for constraining the high-mass end of the stellar initial mass function (IMF). We construct a large sample of 910 WR galaxies/regions that cover a wide range of stellar metallicity (from Z ~ 0.001 to 0.03) by combining three catalogs of WR galaxies/regions previously selected from the SDSS and SDSS-IV/MaNGA surveys. We measure the equivalent widths of the WR blue bump at ~4650 Å for each spectrum. They are compared with predictions from stellar evolutionary models Starburst99 and BPASS, with different IMF assumptions (high-mass slope α of the IMF ranging from 1.0 to 3.3). Both singular evolution and binary evolution are considered. We also use a Bayesian inference code to perform full spectral fitting to WR spectra with stellar population spectra from BPASS as fitting templates. We then make a model selection among different α assumptions based on Bayesian evidence. These analyses have consistently led to a positive correlation of the IMF high-mass slope α with stellar metallicity Z, i.e., with a steeper IMF (more bottom-heavy) at higher metallicities. Specifically, an IMF with α = 1.00 is preferred at the lowest metallicity (Z ~ 0.001), and an Salpeter or even steeper IMF is preferred at the highest metallicity (Z ~ 0.03). These conclusions hold even when binary population models are adopted.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Formulating the r-mode Problem for Slowly Rotating Neutron Stars

We revisit the problem of inertial r-modes in stratified stars, drawing on a more precise description of the composition stratification in a mature neutron star. The results highlight issues with the traditional approach to the problem, leading us to rethink the computational strategy for the r-modes of nonbarotropic neutron stars. We outline two strategies for dealing with the problem. For moderate to slowly rotating neutron stars the only viable alternative may be to approach the problem numerically from the outset, while a meaningful slow-rotation calculation can be carried out for the fastest known spinning stars (which may be close to being driven unstable by the emission of gravitational waves). We demonstrate that the latter approach leads to a problem close, but not identical, to that for barotropic inertial modes. We also suggest that these reformulations of the problem likely resolve the long-standing problem of singular behavior associated with a corotation point in rotating relativistic neutron stars. This issue needs to be resolved in order to guide future gravitational-wave searches.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

The Active Optics System on the Vera C. Rubin Observatory: Optimal Control of Degeneracy among the Large Number of Degrees of Freedom

Abstract The Vera C. Rubin Observatory is a unique facility for survey astronomy that will soon be commissioned and begin operations. Crucial to many of its scientific goals is the achievement of sustained high image quality, limited only by the seeing at the site. This will be maintained through an active optics system that controls optical element misalignments and corrects mirror figure error to minimize aberrations caused by both thermal and gravitational effects. However, the large number of adjustment degrees of freedom available on the Rubin Observatory introduces a range of degeneracies, including many that are induced by noise due to imperfect measurement of the wave-front errors. We present a structured methodology for identifying these degeneracies through an analysis of image noise level. We also present a novel scaling strategy based on truncated singular value decomposition that mitigates the degeneracy and optimally distributes the adjustment over the available degrees of freedom. Our approach ensures the attainment of optimal image quality, while avoiding excursions around the noise-induced subspace of degeneracies, marking a significant improvement over the previous techniques adopted for Rubin, which were based on an optimal integral controller. This new approach is likely to also yield significant benefits for all telescopes that incorporate large numbers of degrees of freedom of adjustment.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

A Strong Gravitational Lens Is Worth a Thousand Dark Matter Halos: Inference on Small-scale Structure Using Sequential Methods

Strong gravitational lenses are a singular probe of the Universe’s small-scale structure—they are sensitive to the gravitational effects of low-mass (<10 10 M ⊙ ) halos even without a luminous counterpart. Recent strong-lensing analyses of dark matter structure rely on simulation-based inference (SBI). Modern SBI methods, which leverage neural networks as density estimators, have shown promise in extracting the halo-population signal. However, it is unclear whether the constraints from these models are limited by the methodology or the data. In this study, we introduce an accelerator-optimized simulation pipeline that can generate lens images with realistic subhalo populations in milliseconds. Leveraging this simulator, we identify the main limitation of our fiducial SBI analysis: training set size. We then adopt a sequential neural posterior estimation (SNPE) approach, allowing us to refine the training distribution to align with the observed data. Using only one-fifth as many mock Hubble Space Telescope images, SNPE matches the constraints on the low-mass halo population produced by our best nonsequential model. Our experiments suggest that an over 3 order-of-magnitude increase in training set size and GPU hours would be required to achieve an equivalent result without sequential methods. While the full potential of the existing lens sample remains to be explored, the notable improvement in constraining power enabled by our sequential approach highlights that current constraints are limited primarily by methodology and not the data itself. Moreover, our results emphasize the need to treat training set generation and model optimization as interconnected stages of any cosmological analysis using SBI.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

H-AMR: A New GPU-accelerated GRMHD Code for Exascale Computing with 3D Adaptive Mesh Refinement and Local Adaptive Time Stepping

General relativistic magnetohydrodynamic (GRMHD) simulations have revolutionized our understanding of black hole accretion. Here, we present a GPU-accelerated GRMHD code H-AMR with multifaceted optimizations that, collectively, accelerate computation by 2–5 orders of magnitude for a wide range of applications. First, it introduces a spherical grid with 3D adaptive mesh refinement that operates in each of the three dimensions independently. This allows us to circumvent the Courant condition near the polar singularity, which otherwise cripples high-resolution computational performance. Second, we demonstrate that local adaptive time stepping on a logarithmic spherical-polar grid accelerates computation by a factor of ≲10 compared to traditional hierarchical time-stepping approaches. Jointly, these unique features lead to an effective speed of ~10 9 zone cycles per second per node on 5400 NVIDIA V100 GPUs (i.e., 900 nodes of the OLCF Summit supercomputer). We illustrate H-AMR's computational performance by presenting the first GRMHD simulation of a tilted thin accretion disk threaded by a toroidal magnetic field around a rapidly spinning black hole. With an effective resolution of 13,440 × 4608 × 8092 cells and a total of ≲22 billion cells and ~0.65 × 10 8 time steps, it is among the largest astrophysical simulations ever performed. We find that frame dragging by the black hole tears up the disk into two independently precessing subdisks. The innermost subdisk rotation axis intermittently aligns with the black hole spin, demonstrating for the first time that such long-sought alignment is possible in the absence of large-scale poloidal magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Cardinality-Regularized Hawkes-Granger Model

We propose a new sparse Granger-causal learning framework for temporal event data. We focus on a specific class of point processes called the Hawkes process. We begin by pointing out that most of the existing sparse causal learning algorithms for the Hawkes process suffer from a singularity in maximum likelihood estimation. As a result, their sparse solutions can appear only as numerical artifacts. In this paper, we propose a mathematically well-defined sparse causal learning framework based on a cardinality-regularized Hawkes process, which remedies the pathological issues of existing approaches. We leverage the proposed algorithm for the task of instance-wise causal event analysis, where sparsity plays a critical role. We validate the proposed framework with two real use-cases, one from the power grid and the other from the cloud data center management domain.

Ide, Tsuyoshi↗

DOE OSTI2025

Instant Folded Strings, Dark Energy and a Cyclic Bouncing Universe

We present a wholly self-consistent, complete cyclic bouncing cosmology based on components drawn from string theory and constructed in a way that is under perturbative control throughout (e.g., with temperature much less than the string scale and string coupling $g_s \ll 1$ at all times). The cyclic evolution is governed by standard dilaton-gravity in $(3+1)$-dimensions with a perturbatively generated potential and a coupling between the dilaton and a second field that becomes massless at $ϕ= ϕ_{ESP}$, resulting in an enhanced symmetry point (ESP) that prevents the dilaton from running all the way to zero coupling. A central role is played by instant folded strings (IFSs) - fundamental strings with the unusual property of being much lighter than the string mass while extending far beyond the string length, and violating the Null Energy Condition (NEC). IFSs are produced classically when the string coupling grows with time, which occurs at two critical points in each cycle. In turn, they fulfill a dual function: enabling cosmological bounces and initiating transient epochs of dark-energy domination that naturally transition into slow contraction. The resulting cosmology eliminates the cosmic singularity and multiverse problems of big bang inflationary models and robustly predicts time-varying IFS-induced dark energy and the absence of primordial B-mode polarization in the cosmic microwave background.

Cosmology and Nongalactic Astrophysics (astro-ph.C↗

DOE OSTI2026

Quantum simulation of massive Thirring and Gross--Neveu models for arbitrary number of flavors

The study of fermionic quantum field theories is an important problem for realizing the standard model of particle physics on a quantum computer. As a step towards this goal, we consider the massive Thirring and Gross--Neveu models with arbitrary number of fermion flavors, $N_f$, discretized on a spatial one-dimensional lattice of size $L$ in the Hamiltonian formulation. We compute the gate complexity using the higher-order product formula and using block-encoding/qubitization and quantum singular value transformations in the limit of large $N_f$ and $L$. We also prepare the ground states of both models with excellent fidelity for system sizes up to 20 qubits with $N_f = 1,2,3,4$ using the adaptive-variational quantum imaginary time algorithm. In addition, we also classify the dynamical Lie algebras of these relativistic fermionic models and show that they belong to the same isomorphism class. Our work is a concrete step towards the quantum simulation of real-time dynamics of large $N_f$ fermionic quantum field theories models relevant for chiral symmetry breaking, understanding dimensional transmutation, and exploring the conformal window of field theories on near-term and early fault-tolerant quantum computers.

FOS: Physical sciences↗

DOE OSTI2026

The Fate of Nucleated Black Holes in de Sitter Quantum Gravity

The Euclidean Nariai geometry has long been proposed as the instanton describing the nucleation of maximal-mass black holes in de Sitter space. We place this interpretation on firmer footing by showing that, once an observer is included, the gravitational path integral produces the imaginary phase required for a transition rate. As a warmup, we revisit the Hawking-Moss instanton and, as a byproduct, find that scalar fields can enhance black-hole nucleation, suggesting a quantum-gravity bound on scalar potentials with de Sitter solutions. We then study the subsequent semiclassical evolution of the nucleated black hole. We show that the previously claimed "anti-evaporation" channel is unphysical, arising from a quantum state with singular horizons. In a smooth state, the black hole instead undergoes standard thermal Hawking evaporation. We verify explicit agreement with the no-boundary state and argue that this evaporation is not subject to large quantum-gravity corrections. The nucleated black hole thus evaporates completely back to the maximally-entropic empty de Sitter vacuum, making the full process a Boltzmann fluctuation.

FOS: Physical sciences↗

DOE OSTI2024

Photoenzymatic asymmetric incorporation of fluorinated motifs into olefins

Enzymes capable of assimilating fluorinated feedstocks are scarce, which poses a challenge for the biosynthesis of fluorinated compounds used in pharmaceuticals, agrochemicals, and materials. We develop a photoenzymatic hydrofluoroalkylation that adeptly integrates fluorinated motifs into olefins. The photoinduced promiscuity of flavin-dependent ene-reductases enables generation of carbon-centered radicals from iodinated fluoroalkanes, which are directed by the photoenzyme to engage enantioselectively with olefins. This approach facilitates stereocontrol through interaction between a singular fluorinated unit and the enzyme, securing high enantioselectivity at β-, γ-, or δ-positions of fluorinated groups via enzymatic hydrogen atom transfer, a process notably challenging with conventional chemocatalysis. This work advances enzymatic strategies for integrating fluorinated chemical feedstocks and opens new avenues for asymmetric synthesis of fluorinated compounds.

Li, Maolin↗