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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Measurement of DC Arc-Flash Incident Energy in Large-Scale Photovoltaic Plants: A Basis for Standardization

The deployment of high-power dc equipment is increasing in solar photovoltaic (PV) plants, but very few studies have quantified dc arc-flash risks. Currently, PV plant owners and operators rely on theoretical, simplified models, such as those in NFPA-70E and other publications, for the assessment of risk associated with dc arc-flash. Here, this article presents an overview of arc-flash risks in a PV system based on a series of field experiments based on IEEE-1584 in two large-scale ground-mounted PV plants. The experiments include various high-power dc equipment of a PV plant, such as central inverters, combiner boxes, recombiner boxes, string inverters, and multiple configurations of electrodes in a 20-in calibration cube. The study reveals that none of the available dc arc-flash models are applicable for a PV plant. This work is an important first step toward developing an improved model that more accurately assesses dc arc-flash risk in a PV plant.

14 SOLAR ENERGY↗
DOE OSTI2022

Research in Quantum Field Theory, Cosmology, and String Theory

This project covered research in theoretical high energy physics at Brandeis University by PI Albion Lawrence and Co-PIs Matthew Headrick and Howard Schnitzer. The work of Albion Lawrence covered quantum field theoretic models of cosmic inflation and of quintessence-type dark energy, consistent with constraints on quantum gravity; the dynamics of open quantum systems, with an eye towards applications to holography; and the application of quantum information theory – particularly measures of quantum entanglement – to quantum field theories and quantum gravity. The work of Matthew Headrick covered the intersection of quantum information theory and quantum gravity, with a focus on the holographic encoding of quantum information theoretic concepts such as entanglement and computational complexity in field theory. Headrick also achieved significant technical results in closed string field theory. The work of Howard Schnitzer covered the computation of quantum information theoretic quantities in quantum field theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Rotating black hole entropy from M5-branes

We compute the superconformal index of 3d N = 2 superconformal field theories obtained from N M5-branes wrapped on a hyperbolic 3-manifold. Exploiting the 3d-3d correspondence, we use perturbative invariants of SL(N, C) Chern-Simons theory to determine the superconformal index in the large N limit, including corrections logarithmic in N. The leading order partition function provides a microscopic foundation for the entropy function of the dual rotating asymptotically AdS 4 black holes. We also verify that the supergravity one-loop contribution to the log N term coincides with the field theoretic result. We propose a 3d-3d formulation for the refined topologically twisted index, and provide strong evidence in support of its vanishing — which agrees with the fact that the expected dual rotating magnetically-charged black hole does not exist. This provides an interesting link between gravity and a tantalizing mathematical result.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Crescendo beyond the horizon: More gravitational waves from domain walls bounded by inflated cosmic strings

Gravitational-wave (GW) signals offer a unique window into the dynamics of the early universe. GWs may be generated by the topological defects produced in the early universe, which contain information on the symmetry of UV physics. We consider the case in which a two-step phase transition produces a network of domain walls bounded by cosmic strings. Specifically, we focus on the case in which there is a hierarchy in the symmetry-breaking scales, and a period of inflation pushes the cosmic string generated in the first phase transition outside the horizon before the second phase transition. We show that the GW signal from the evolution and collapse of this string-wall network has a unique spectrum, and the resulting signal strength can be sizeable. In particular, depending on the model parameters, the resulting signal can show up in a broad range of frequencies and can be discovered by a multitude of future probes, including the pulsar timing arrays and space- and ground-based GW observatories. As an example that naturally gives rise to this scenario, we present a model with the first phase transition followed by a brief period of thermal inflation driven by the field responsible for the second stage of symmetry breaking. Here, the model can be embedded into a supersymmetric setup, which provides a natural realization of this scenario. In this case, the successful detection of the peak of the GW spectrum probes the soft supersymmetry breaking scale and the wall tension.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Efficient 3D Molecular Design with an E(3) Invariant Transformer VAE

This work introduces a three-dimensional (3D) invariant graph-to-string transformer variational autoencoders (VAE) (Vagrant) for generating molecules with accurate density functional theory (DFT)-level properties. Vagrant learns to model the joint probability distribution of a 3D molecular structure and its properties by encoding molecular structures into a 3D-aware latent space. Directed navigation through this latent space implicitly optimizes the 3D structure of a molecule, and the latent embedding can be used to condition a generative transformer to predict the candidate structure as a one-dimensional (1D) sequence. Additionally, we introduce two novel sampling methods that exploit the latent characteristics of a VAE to improve performance. Here, we show that our method outperforms comparable 3D autoregressive and diffusion methods for predicting quantum chemical property values of novel molecules in terms of both sample quality and computational efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Framework for simulating gauge theories with dipolar spin systems

Gauge theories appear broadly in physics, ranging from the standard model of particle physics to long-wavelength descriptions of topological systems in condensed matter. However, systems with sign problems are largely inaccessible to classical computations and also beyond the current limitations of digital quantum hardware. In this work, we develop an analog approach to simulating gauge theories with an experimental setup that employs dipolar spins (molecules or Rydberg atoms). We consider molecules fixed in space and interacting through dipole-dipole interactions, avoiding the need for itinerant degrees of freedom. Each molecule represents either a site or gauge degree of freedom, and Gauss's law is preserved by a direct and programmatic tuning of positions and internal state energies. This approach can be regarded as a form of analog systems programming and charts a path forward for near-term quantum simulation. As a first step, we numerically validate this scheme in a small-system study of U(1) quantum link models in (1+1) dimensions with link spin S = 1/2 and S =1 and illustrate how dynamical phenomena such as string inversion and string breaking could be observed in near-term experiments. Our work brings together methods from atomic and molecular physics, condensed matter physics, high-energy physics, and quantum information science for the study of nonperturbative processes in gauge theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Study on Conduction Cooling of Superconducting Magnets for the ILC Main Linac

In the main linac of the International Linear Collider (ILC), superconducting magnets for beam focusing and steering will be located periodically in superconducting RF (SRF) cavity string for beam acceleration in common cryomodules. A concept of conduction cooling of the combined-functioned, splittable superconducting magnets has been proposed and investigated to adapt much different features and to meet different requirements for the superconducting magnet and SRF cavity in fabrication, assembly, and operation. It is required to integrate the superconducting magnet after the SRF cavity string assembly which completed under an ultra-clean environment. The magnet must be conductively cooled down through thermal links to a liquid helium supply pipe. According to this concept, a model magnet development was carried out in cooperation with Fermilab and KEK, and has been demonstrated in KEK superconducting RF test facility (STF). In addition, an important issue has been recently identified. High gradient SRF cavities naturally emit field emission electron flux from the inner surface, so-called dark current. It may pass through the subsequent SRF cavity string and penetrate into the superconducting magnets placed downstream. It may heat up the superconducting coils, and may cause a quench. Therefore, further study on reliable conduction cooling and to secure the superconducting magnet operation with a keeping sufficient safety margin is quite essential. In this paper, we report the installation, the improvement achieved in STF, and the R&D progress in the study on the conduction cooling of the superconducting magnet for the ILC main linac.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

High-Energy Collision of Quarks and Mesons in the Schwinger Model: From Tensor Networks to Circuit QED

With the aim of studying nonperturbative out-of-equilibrium dynamics of high-energy particle collisions on quantum simulators, we investigate the scattering dynamics of lattice quantum electrodynamics in 1 + 1 dimensions. Working in the bosonized formulation of the model and in the thermodynamic limit, we use uniform-matrix-product-state tensor networks to construct multiparticle wave-packet states, evolve them in time, and detect outgoing particles post collision. This facilitates the numerical simulation of scattering experiments in both confined and deconfined regimes of the model at different energies, giving rise to rich phenomenology, including inelastic production of quark and meson states, meson disintegration, and dynamical string formation and breaking. We obtain elastic and inelastic scattering cross sections, together with time-resolved momentum and position distributions of the outgoing particles. Furthermore, we propose an analog circuit-QED implementation of the scattering process that is native to the platform, requires minimal ingredients and approximations, and enables practical schemes for particle wave-packet preparation and evolution. Furthermore, this study highlights the role of classical and quantum simulation in enhancing our understanding of scattering processes in quantum field theories in real time.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Cosmological Constant in Coherent Quantum Gravity

It is argued that quantum states of geometry, like those of particles, should be coherent on light cones of any size. An exact classical solution, the gravitational shock wave of a relativistic point particle, is used to estimate gravitational drag from coherent energy flows, and the expected gravitational effect of virtual transverse vacuum energy fluctuations on surfaces of causal diamonds. It is proposed that the appropriately spacetime-averaged gravitational effect of the Standard Model vacuum state leads to the observed small nonzero value of the cosmological constant, dominated by gravitational drag of virtual gluonic strings at the strong interaction scale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Evaluating the Use of Foundational Chemical Language Models in Multimodal Graph Fusion

Rapid and accurate prediction of the physicochemical properties of molecules given their structures remains a key challenge in cheminformatics. Machine learning approaches offer high-throughput options, but the optimality of inductive biases and data representations are up for debate. For example, BERT-based masked language models (MLMs) can be trained in a self-supervised way on hundreds of millions to billions of readily available SMILES strings. Another option is graph neural networks (GNNs), which can operate directly on molecular structures. Yet, generating accurate molecular geometry is computationally expensive, leading to a relative scarcity in data compared to SMILES strings. It is attractive to combine these two paradigms by pre-training an LM on a large corpus of SMILES strings and embedding these representation into a geometric graph neural network. Despite the promise of such an approach, and contrary to previous studies, we find mixed results with the combination of the LMs and GNNs on several molecule datasets. In particular, we found evidence for improvement on the FreeSolv and QM7 benchmarks, but degraded performance on the ESOL, LIPO and QM9 datasets compared to a GNN baseline.

Francel, Collin [University of Alabama]↗
DOE OSTI2020

PV O&M Cost Model [SWR-21-14]

This tool presents a method for calculating costs associated with the operation and maintenance (O&M) of photovoltaic (PV) systems. The tool compiles details regarding the cost and frequency of multiple O&M services to estimate annual O&M costs ($/year) for each year of an analysis period, the net present value ($) of life cycle costs accumulated over the analysis period, and the reserve account amount ($) that might be required to fund unexpected repairs. The reserve account includes parts inventory and is important for providing a source of funds to make repairs quickly and avoid lost production. This method allows a detailed selection of services to perform based on system size, market served (e.g., residential, commercial, or utility), type and configuration of system components (e.g., micro-, string, or central inverter), and site and environmental conditions (e.g., pollen, bird populations) which is an improvement over simple per unit valuations of O&M costs ($/kW/year). This model also distinguishes costs that vary from year to year and increase at different rates over time as modeled by heuristic failure distributions (e.g., Weibull or Lognormal distribution) based on actuarial data for many of the services.

Walker, Andy↗
DOE OSTI2020

Scattering equations in AdS: scalar correlators in arbitrary dimensions

We introduce a bosonic ambitwistor string theory in AdS space. Even though the theory is anomalous at the quantum level, one can nevertheless use it in the classical limit to derive a novel formula for correlation functions of boundary CFT operators in arbitrary space-time dimensions. The resulting construction can be treated as a natural extension of the CHY formalism for the flat-space S-matrix, as it similarly expresses tree-level amplitudes in AdS as integrals over the moduli space of Riemann spheres with punctures. These integrals localize on an operator-valued version of scattering equations, which we derive directly from the ambitwistor string action on a coset manifold. As a testing ground for this formalism we focus on the simplest case of ambitwistor string coupled to two cur- rent algebras, which gives bi-adjoint scalar correlators in AdS. In order to evaluate them directly, we make use of a series of contour deformations on the moduli space of punctured Riemann spheres and check that the result agrees with tree level Witten diagram computations to all multiplicity. We also initiate the study of eigenfunctions of scattering equations in AdS, which interpolate between conformal partial waves in different OPE channels, and point out a connection to an elliptic deformation of the Calogero-Sutherland model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

HT Model Dataset

This website contains the dataset that was used for writing the manuscript "HT Model: Using the Molecular Transformer for predicting hydrotreating reactions" (PNNL-SA-186589) The dataset includes a collection of hydrotreating reactions compiled from 41 peer-reviewed literature sources. These sources contain experimental data related to hydrotreating reactions. These reactions involve the reaction of chemical compounds with hydrogen gas in the presence of a catalyst to remove heteroatoms or to convert specific functional groups. The dataset contains reactions both with and without reaction conditions. Reaction conditions refer to the specific parameters under which the reaction takes place, such as temperature and pressure. For each reaction, the dataset includes both SMILES and SELFIES representations. SMILES (Simplified Molecular Input Line Entry System) and SELFIES (SELF-referencIng Embedded Strings) are two popular notations used to represent chemical structures in a compact and standardized format. The dataset was created with the aim of training a predictive model, specifically using the Molecular Transformer architecture.

bioprocessing, hydrotreating, deep learning algori↗
DOE OSTI2025

Infalling ultra-faint dwarfs as emissaries of the Axiverse

Recent discoveries of ultra-faint dwarf galaxies (UFDs) infalling onto the Milky Way, namely Leo K & M at r ≃ 450 kpc, considerably strengthens the case that UFDs constitute a distinct galaxy class that is inherently smaller and fainter, and metal-poorer than the classical dwarf spheroidals (dSph). This distinction is at odds with the inherent continuity of galaxy halo masses formed under scale-free gravity for any standard dark-matter (DM) model. Here, we show that distinct galaxy classes do evolve in cosmological simulations of multiple light bosons representing the “Axiverse” proposal of string theory, where a discrete mass spectrum of axions is generically predicted to span many decades in mass. In this context, the observed UFD class we show corresponds to a relatively heavy boson of 3 × 10 −21 eV, including Leo K & M, whereas a lighter axion of 10 −22 eV comprises the bulk of DM in all larger galaxies including the dSphs. Although Leo M is larger in size than Leo K, we predict its velocity dispersion to be smaller ( ≃ 1.7 km/s) than that of Leo K ( ≃ 4.5 km/s) because of the inverse de Broglie scale dependence on momentum. This scenario can be definitively tested using millisecond pulsars close to the Galactic center, where the Compton frequencies of the heavy and light bosons imprint monotone timing residuals that may be detected by the Square Kilometre Array (SKA) on timescales of approximately one week and four months, respectively.

dark matter↗
DOE OSTI2020

Probing black hole microstate evolution with networks and random walks

We model black hole microstates and quantum tunneling transitions between them with networks and simulate their time evolution using well-established tools in network theory. In particular, we consider two models based on Bena-Warner three-charge multi-centered microstates and one model based on the D1-D5 system; we use network theory methods to determine how many centers (or D1-D5 string strands) we expect to see in a typical late-time state. We find three distinct possible phases in parameter space for the late-time behaviour of these networks, which we call ergodic, trapped, and amplified, depending on the relative importance and connectedness of microstates. We analyze in detail how these different phases of late-time behavior are related to the underlying physics of the black hole microstates. Our results indicate that the expected properties of microstates at late times cannot always be determined simply by entropic arguments; typicality is instead a highly non-trivial, emergent property of the full Hilbert space of microstates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Fundamental aspects of Spacetime and Quantum Fields

The proposal contained two goals: firstly, placing fundamental bound on thermalization in Quantum Field Theories (QFTs) and, secondly, developing our understanding of emergent spacetime from matrices through concrete models. Since the previous reporting period, in collaboration with Sean Hartnoll we have continued our study of entanglement edge modes in matrix quantum mechanics (MQM). This has resulted in two papers. The first applies our construction for the Matrix Quantum Hall system first to fuzzy sphere states known to correspond to stringy M2-branes in MQM. Entanglement in these states using machine learning methods have also been studied by Sean Hartnoll and Xizhi Han in previous work done under this grant. Our construction builds on this work, and further demonstrates how area laws on fuzzy geometries emerge from strongly coupled systems. The second paper generalizes this construction to all noncommutative geometries with curvature much larger than the noncommutativity parameter. We demonstrate that despite UV/IR mixing effects, the structure of entanglement edge mode irreducible representations is determined by the boundary area of subsystems. On manifolds without global symmetries, we have demonstrated that nonlocal effects inherent to noncommutative geometries resum into a change of frame of the metric structure, similar to the change from string frame to Einstein frame for entanglement entropies calculated in string theory. These advancements lay the groundwork for future progress in the understanding of emergent geometry from large-N theories. Using these techniques, we are currently working on applying our methods to noncom mutative geometries whose construction is not so well understood, such as the fuzzy 5-sphere. Despite their opacity these objects are quite important, as string physics in the bulk of holographic systems bears many features of noncommutative geometry. We have also laid the groundwork of applying our methods to tensor networks, one of the most powerful models for understanding how geometry emerges from entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Effect of ionization waves on dust chain formation in a DC discharge

An interesting aspect of complex plasma is its ability to self-organize into a variety of structural configurations and undergo transitions between these states. A striking phenomenon is the isotropic-to-string transition observed in electrorheological complex plasma under the influence of a symmetric ion wake field. Such transitions have been investigated using the Plasma Kristall-4 (PK-4) microgravity laboratory on the International Space Station. Recent experiments and numerical simulations have shown that, under PK-4-relevant discharge conditions, the seemingly homogeneous direct current discharge column is highly inhomogeneous, with large axial electric field oscillations associated with ionization waves occurring on microsecond time scales. here, a multi-scale numerical model of the dust–plasma interactions is employed to investigate the role of the electric field in the charge of individual dust grains, the ion wake field and the order of string-like structures. Results are compared with those for dust strings formed in similar conditions in the PK-4 experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

6D anomaly-free matter spectrum in F-theory on singular spaces

In this paper we study the 6d localized charged matter spectrum of F-theory directly on a singular elliptic Calabi-Yau 3-fold, i.e. without smoothing via resolution or deformation of the entire fibration. Given only the base surface, discriminant locus, and the SL(2, $\mathbb{Z}$) local system, we propose a general prescription for determining the charged matter spectrum localized at intersections of seven-branes, using the technology of string junctions. More precisely, at each codimension-2 collision of seven-branes, we determine the local seven-brane content and compute the number of massless string junctions modulo the action of the SL(2,$\mathbb{Z}$) monodromy. We find agreement with the predicted results from 6d anomaly cancellation in all cases considered. Examples include a generic Weierstrass model with arbitrary Kodaira fiber intersecting an I 1 , as well as cases with jointly charged matter localized at intersections of non-abelian seven-branes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗