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At least 361 records · Page 20

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DOE OSTI2023

Synchronous micromechanically resonant programmable photonic circuits

Abstract Programmable photonic integrated circuits (PICs) are emerging as powerful tools for control of light, with applications in quantum information processing, optical range finding, and artificial intelligence. Low-power implementations of these PICs involve micromechanical structures driven capacitively or piezoelectrically but are often limited in modulation bandwidth by mechanical resonances and high operating voltages. Here we introduce a synchronous, micromechanically resonant design architecture for programmable PICs and a proof-of-principle 1×8 photonic switch using piezoelectric optical phase shifters. Our design purposefully exploits high-frequency mechanical resonances and optically broadband components for larger modulation responses on the order of the mechanical quality factor Q m while maintaining fast switching speeds. We experimentally show switching cycles of all 8 channels spaced by approximately 11 ns and operating at 4.6 dB average modulation enhancement. Future advances in micromechanical devices with high Q m , which can exceed 10000, should enable an improved series of low-voltage and high-speed programmable PICs.

42 ENGINEERING↗

DOE OSTI2023

Hybrid Uses of High-Temperature Reservoir Thermal Energy Storage: Lessons Learned from Previous Projects

One of the critical challenges of the green energy transition is resolving the mismatch between energy generation provided by intermittent renewable energy sources such as solar and wind and the demand for energy. There is a need for large amounts of energy storage over a range of time scales (diurnal to seasonal) to better balance energy supply and demand. Subsurface geologic reservoirs provide the potential for storage of hot water that can be retrieved when needed and used for power generation or direct-use applications, such as district heating. It is important to identify potential issues associated with high-temperature reservoir thermal energy storage (HT-RTES) systems so that they can be mitigated, thus reducing the risks of these systems. This paper reviews past experiences from moderate and high-temperature reservoir thermal energy storage (RTES) projects, along with hot water and steam flood enhanced oil recovery (EOR) operations, to identify technical challenges encountered and evaluate possible ways to address them. Some of the identified technical problems that have impacted system performance include: 1) insufficient site characterization that failed to identify reservoir heterogeneity; 2) scaling resulting from precipitation of minerals having retrograde solubility that form with heating of formation brines; 3) corrosion from low pH or high salinity brines; 4) thermal breakthrough between hot and cold wells due to insufficient spacing. Proper design, characterization, construction, and operational practices can help reduce the risk of technical problems that could lead to reduced performance of these thermal energy storage systems.

energy storage↗

DOE OSTI2026

Neural Scaling Laws of Deep ReLU and Deep Operator Network: A Theoretical Study

Neural scaling laws play a pivotal role in the performance of deep neural networks and have been observed in a wide range of tasks. However, a complete theoretical framework for understanding these scaling laws remains underdeveloped. In this paper, we explore the neural scaling laws for deep operator networks, which involve learning mappings between function spaces, with a focus on the Chen and Chen style architecture. These approaches, which include the popular Deep Operator Network (DeepONet), approximate the output functions using a linear combination of learnable basis functions and coefficients that depend on the input functions. We establish a theoretical framework to quantify the neural scaling laws by analyzing its approximation and generalization errors. We articulate the relationship between the approximation and generalization errors of deep operator networks and key factors such as network model size and training data size. Moreover, we address cases where input functions exhibit low-dimensional structures, allowing us to derive tighter error bounds. These results also hold for deep ReLU networks and other similar structures. Our results offer a partial explanation of the neural scaling laws in operator learning and provide a theoretical foundation for their applications.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Dynamic thermal behavior of polycrystalline LaB 6 hollow cathodes

Lanthanum hexaboride (LaB6) hollow cathodes have demonstrated a capability for long life operation, which is critical to many space exploration missions. Thermal characterization of LaB6 hollow cathodes has revealed lower than expected electron emitter temperatures when the cathode reaches a steady state. This phenomenon is observed at discharge currents ranging from 5 to 35 A and xenon mass flow rates of 5–25 SCCM in cathodes with three different orifice diameters. Thus, the currently accepted value of the work function for polycrystalline LaB 6 , 2.67 eV, does not describe well the emission characteristics of LaB6 hollow cathodes operating with internal gas discharges at a steady state. We use empirically measured temperatures combined with a model of the hollow cathode emitter and xenon discharge to estimate the value of the work function, yielding a value ranging from 2.1 to 2.44 eV. This lower work function value implies that LaB6 hollow cathodes are expected to have even longer lifetimes than previously anticipated, further establishing them as a more suited alternative to other conventional cathode technologies for the task of long duration travel. Direct measurements of the work function as a function of depth on a hollow cathode emitter using x-ray photoelectron spectroscopy and ion beam milling indicate that the work function decreases with depth. We postulate several mechanisms that could explain the observed work function enhancement. Altogether, our results have important implications to the design, study approach, and operation of LaB 6 cathodes and potentially other cathodes with hollow configuration. Finally, our work opens the question of why the work function is reduced upon interaction with Xe plasma.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Integrating vehicle trajectory planning and arterial traffic management to facilitate eco-approach and departure deployment

Eco-approach and departure (EAD) enable continuous vehicle motion in urban signalized corridors. Since such a motion can extend to the EAD vehicles’ followers, it makes EAD a promising technology to benefit the traffic flow where automated vehicles and conventional vehicles coexist. Most existing EAD studies envision an ideal setting that neglects real-world operational conditions such as lane changes, multi-movement intersection configuration, partially automated fleet, and/or limited traffic state awareness. This study aims to fill the gap by designing an EAD algorithm considering real-world traffic operation constraints. The proposed algorithm uses a model predictive controller to minimize vehicle speed reduction and variation based on the real-time traffic signal control plan and measured queues at the intersection. The required inputs are readily available at many modern intersections. We observed that the proposed controller’s performance might degrade because of lane-changing maneuvers and lead-left turn traffic signals. These observations motivated our development of a lane change management strategy and a signal control implementation strategy to facilitate the EAD implementation. The lane change management strategies separate the EAD operations and lane-changing maneuvers in time and space. The signal control implementation strategy applies lag-left turn signals to enable EAD operation for both the through and left-turn vehicles. Compared to the non-EAD case, our EAD approach produces 2.5% to 7.8% energy savings while keeping similar intersection mobility. Notably, this approach brings about 2.5% to 3.6% energy savings in a 2% CAV case. This result demonstrates the feasibility of deploying EAD at low connected automated vehicle penetration rates.

Arterial corridor management↗

DOE OSTI2023

Digital Twin Technology (“Morpheus”) for Optimized Building Operations [SWR-22-74]

The electrification of buildings is an important step to reducing greenhouse gas emissions across all industries. The management of increasingly electrified buildings is a complex pursuit, and there remains a need for cost-effective software capable of handling the computational burden required of such complexity. Through a partnership with Dallas Fort Worth (DFW) Airport, researchers at NREL have developed a digital twin modeling framework to optimize building operations, called Morpheus. Pairing predictive control with automatic fault detection and diagnostics, Morpheus decreases energy expenditures, costs, and faults for large facilities. Additionally, Morpheus employs artificial intelligence to continuously improve its performance using information provided by sensor systems, human experts with deep industry domain knowledge, and even from other similar machines or fleets of machines. Coupling this novel energy-management software with other digital twins, such as NREL’s Athena software for mobility operations, enables robust decision-making for asset and space management. The implementation of Morpheus at DFW has resulted in significantly improved HVAC system operations and reduced both peak power and overall energy consumption. This enhanced functionality comes at a more affordable price than previously developed digital twins and can be customized for other facilities’ geometries to provide optimal, individualized control of a facility’s energy consumption.

Chinde, Venkatesh↗

DOE OSTI2021

Forward and Off-Forward Parton Distributions from Lattice QCD

The interpretation of (semi-)inclusive and certain exclusive scattering processes relies on the factorization of hard parton level cross sections from long-range and non-perturbative parton correlations. The familiar Parton Distribution Functions (PDFs) and Generalized Parton Distributions quantify the non-perturbative dynamics in these situations and address a number of key questions surrounding the structure of hadrons. A certain class of matrix elements accessible in lattice QCD, so called Lattice Cross Sections, have been shown to factorize into these collinear distributions in a manner akin to the factorization of hadronic cross sections. In the short-distance regime, matrix elements of space-like separated two-current operators and parton bilinears can be expressed as the convolution of perturbative coefficient functions and the PDFs. Matrix elements of this type are isolated in the pion and nucleon, each offering a glimpse of the unpolarized valence quark content of these phenomenologically important hadronic states. The calculations within the nucleon represent the first application of the distillation spatial smearing paradigm to the collinear structure of hadrons, and is found to offer higher precision data compared to similar calculations in the literature. A novel method to obtain PDFs from these lattice data, while simultaneously controlling systematic effects, is developed and applied to the nucleon dataset. The coordinate space factorization of space-like separated parton bilinears has also recently been extended to include Generalized Parton Distributions. Preliminary results in off-forward nucleon matrix elements using distillation are explored.

Egerer, Colin↗

DOE OSTI2021

Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations

For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals is optimized and independent of the basis set used, there are no problems with using plane-wave basis sets. However, for methods currently used in quantum computing such as select configuration interaction (CI) and coupled cluster (CC) methods, it is necessary to have a virtual space that is able to capture a significant amount of electron-electron correlation in the system. The virtual orbitals in a pseudopotential plane-wave Hartree–Fock calculation, because of Coulomb repulsion, are often scattering states that interact very weakly with the filled orbitals. As a result, very little correlation energy is captured from them. The use of virtual spaces derived from the one-electron operators has also been tried, and while some correlations are captured, the amount is quite low. To overcome these limitations, we have been developing new classes of algorithms to define virtual spaces by optimizing orbitals from small pairwise CI Hamiltonians, which we term as correlation optimized virtual orbitals with the abbreviation COVOs. With these procedures, we have been able to derive virtual spaces, containing only a few orbitals, which are able to capture a significant amount of correlation. The focus in this manuscript is on using these derived basis sets to target full CI (FCI) quality results for H2 on near-term quantum computers. However, the initial results for this approach were promising. We were able to obtain good agreement with FCI/cc-pVTZ results for this system with just 4 virtual orbitals, using both FCI and quantum simulations. The quality of the results using COVOs suggests that it may be possible to use them in other many-body approaches, including coupled cluster and Møller–Plesset perturbation theories, and open up the door to many-body calculations for pseudopotential plane-wave basis set methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Quantum Ising model on (2+1)-dimensional anti–de Sitter space using tensor networks

We study the quantum Ising model on (2+1)-dimensional anti-de Sitter space using matrix product states (MPS) and matrix product operators (MPOs). We explore the bulk phase diagram of the theory on regular tessellations of hyperbolic space with coordination number seven and find disordered and ordered phases separated by a phase transition. We find that the boundary-boundary spin correlation function exhibits power law scaling deep in the disordered phase of the Ising model consistent with holography. At the critical point, we find the boundary entanglement entropy scales logarithmically with subsystem size but away from this, we see a linear scaling. In comparison, the full system exhibits a volume law scaling, which is expected in chaotic and/or highly connected systems. We also measure out of time ordered correlators (OTOCs) to explore the scrambling behavior of the theory.

Quantum spin models↗

DOE OSTI2022

The cosine-sine decomposition with different-orbitals-for-different-spins determinants

We report the spin decomposition of a spin-contaminated different-orbitals-for-different-spins (DODS) wave function is formulated in terms of the Krylov space of the $\hat{S}^2$ ||operator. The number of determinants that contribute to the various projected spin eigenfunctions vertical | $\psi ; S, M \rangle$ depends on the sparsity of the orbital overlap matrix X between the α and β spatial orbitals. The cosine-sine decomposition (CSD) procedure may be applied to this overlap matrix, and the resulting redundant orbital transformations may be applied to the α and β spatial orbitals. This produces a sparse X' matrix in the transformed basis in which each row or column has either one or two nonzero elements. This sparse X' matrix simplifies the spin-decomposition procedure in three ways:1) it reduces the number of contributing determinants within the Krylov basis functions and within the projected spin functions, 2) it reduces the effective orbital dimension through elimination of the frozen core and frozen virtual orbitals, and 3) it simplifies the spin-decomposition procedure in both the original and transformed bases by limiting the Krylov space dimension. These simplifications all reduce the computational effort for the spin-decomposition process. This procedure is implemented within a string-based DODS determinant formulation and applied to spin projection of unrestricted Hartree-Fock determinants.

unrestricted Hartree-Fock↗

DOE OSTI2024

Controlling the helicity of light by electrical magnetization switching

Controlling the intensity of emitted light and charge current is the basis of transferring and processing information. By contrast, robust information storage and magnetic random-access memories are implemented using the spin of the carrier and the associated magnetization in ferromagnets. In this study, the missing link between the respective disciplines of photonics, electronics and spintronics is to modulate the circular polarization of the emitted light, rather than its intensity, by electrically controlled magnetization. Here we demonstrate that this missing link is established at room temperature and zero applied magnetic field in light-emitting diodes through the transfer of angular momentum between photons, electrons and ferromagnets. With spin-orbit torque a charge current generates also a spin current to electrically switch the magnetization. This switching determines the spin orientation of injected carriers into semiconductors, in which the transfer of angular momentum from the electron spin to photon controls the circular polarization of the emitted light. The spin-photon conversion with the nonvolatile control of magnetization opens paths to seamlessly integrate information transfer, processing and storage. Our results provide substantial advances towards electrically controlled ultrafast modulation of circular polarization and spin injection with magnetization dynamics for the next-generation information and communication technology, including space-light data transfer. The same operating principle in scaled-down structures or using two-dimensional materials will enable transformative opportunities for quantum information processing with spin-controlled single-photon sources, as well as for implementing spin-dependent time-resolved spectroscopies.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

Convergent momentum-space OPE and bootstrap equations in conformal field theory

General principles of quantum field theory imply that there exists an operator product expansion (OPE) for Wightman functions in Minkowski momentum space that converges for arbitrary kinematics. This convergence is guaranteed to hold in the sense of a distribution, meaning that it holds for correlation functions smeared by smooth test functions. The conformal blocks for this OPE are conceptually extremely simple: they are products of 3-point functions. We construct the conformal blocks in 2-dimensional conformal field theory and show that the OPE in fact converges pointwise to an ordinary function in a specific kinematic region. Using microcausality, we also formulate a bootstrap equation directly in terms of momentum space Wightman functions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Field space geometry and nonlinear supersymmetry

We propose a geometric formulation of effective field theories via nonlinear supersymmetry. Nonsupersymmetric particles are embedded in constrained superfields governed by a nonlinear σ model, and operators are collected into potentials on the target space. The use of chiral superfields standardizes the treatment of flavor across scalars and fermions, and the minimal jet bundle extension makes invariance under derivative field redefinitions manifest. Published by the American Physical Society 2025

Lee, Yu-Tse (ORCID:0009000190324206)↗

DOE OSTI2020

Recovering Gardner restacking with purely diffusive operations

The maximum particle kinetic energy that can be extracted from an initial six-dimensional phase space distribution motivates the concept of free or available energy. The free energy depends on the allowed operations that can be performed. A key concept underlying the theoretical treatment of plasmas is the Gardner free energy, where the exchange of the contents of equal phase volumes is allowed. Further, a second free energy concept is the diffusive free energy, in which the contents of volumes are instead averaged. For any finite discretization of phase space, the diffusive free energy is known to be less than the Gardner free energy. However, despite the apparent fundamental differences between these free energies, it is demonstrated here that the Gardner free energy may be recovered from the continuous limit of the diffusive free energy, leading to the surprise that macroscopic phase-space conservation can be achieved by ostensibly entropy-producing microscopic operations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

As part of its commitment to advancing safety and reliability assessment methodologies, Argonne National Laboratory pioneered the use of an evaluation method called the Success Path Method (SPM) to improve risk management for offshore oil and gas operations. The development of the SPM at Argonne has been driven by the need to improve existing risk assessment methodologies by focusing on the steps necessary for success rather than failure modes alone. This is particularly important for industrial environments like offshore facilities that perform multiple functions under a continuously evolving set of operational conditions – such as water depth and temperature, currents, and weather conditions. In these dynamic environments, the traditional Probabilistic Risk Assessment (PRA) approach is far too complex as it focuses on what can go wrong – which comprises an infinite failure space that must be fully explored and understood. By shifting the focus to a finite space of success paths, the SPM enables operators and decision makers to prioritize a manageable number of steps that must go right to ensure success. Building on its five decades of experience in safety assessments for the nuclear industry, Argonne made major adaptations to existing risk assessment methods utilizing features similar to fault trees that are traditionally used in PRA to map all pathways in which the system can malfunction. In contrast, SPM identifies the components and processes that must function correctly to achieve specific outcomes – such as preventing the uncontrolled release of hydrocarbons during drilling operations. The SPM framework integrates equipment, procedures, software, processes, and human actions to ensure that physical barriers meet critical safety functions in dynamic operational conditions. This approach helps identify failure modes and improve operational risk management by narrowing the focus to key success elements, which in turn reduces uncertainty and helps users understand, manage, and respond to failures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A primer on forest structure measurement with lidar for ecologists

Light detection and ranging (lidar) technology has fundamentally advanced the way we measure forest structure, facilitating new insights into ecological processes. Lidar for forest ecology applications is deployed on multiple types of platforms that operate from the ground, air, or space, and each has associated strengths and limitations. Ideally, the choice of what kind of lidar to use in a particular study should be guided by the ecological question of interest; however, practical considerations of cost, data availability, and processing tools can be equally important. This synthesis is a practical introduction to how different lidar platforms characterize forest structure (e.g., tree size/location, wood volume, branching structure, aboveground biomass, leaf properties), designed for a general audience of ecologists (not remote sensing scientists) seeking an accessible introduction to the use of lidar. We also provide examples of novel ecological insights from recent lidar research and describe current limitations and areas of expected improvement. Last, we include an appendix of data collected from terrestrial, mobile, unoccupied aerial system, airplane, and satellite lidar platforms within a common temperate forest area, with associated code to allow new lidar users to visualize and manipulate data in R.

Cushman, KC [ORNL] (ORCID:0000000234641151)↗

DOE OSTI2023

On the equivalence between SRS and PCO formulations of superstring perturbation theory

We establish the equivalence between two formulations of superstring perturbation theory, one based on integration over the supermoduli space of super Riemann surfaces (SRS), the other based on integration over the bosonic moduli space with insertions of picture changing operators (PCO) on the worldsheet and the vertical integration prescription, by showing how the latter arises from a specific construction of the supermoduli integration contour.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Modular flow of excited states

We develop new techniques for studying the modular and the relative modular flows of general excited states. We show that the class of states obtained by acting on the vacuum (or any cyclic and separating state) with invertible operators from the algebra of a region is dense in the Hilbert space. This enables us to express the modular and the relative modular operators, as well as the relative entropies of generic excited states in terms of the vacuum modular operator and the operator that creates the state. In particular, the modular and the relative modular flows of any state can be expanded in terms of the modular flow of operators in vacuum. We illustrate the formalism with simple examples including states close to the vacuum, and coherent and squeezed states in generalized free field theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗