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At least 577 records · Page 32

Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower (DIVERS-H)

U.S. hydropower plants face potential threats from shrinking water supply, rising demands, and warmer stream temperatures from various causes. Power plant owners, operators, and regulators require new tools to take advantage of and interpret the diverse range of scientific data being produced by both observational methods (for example, satellite, radar, stream gauges) and computer modeling methods that evaluate and predict how earth's dynamic systems (atmosphere, oceans, land surface, and sea ice) are changing and interacting. Combining datasets such as these with AI-based analyses introduces a novel decision support system to help users anticipate and address potential impacts on power generation stations. This new technology has been named DIVERS-H for "Data Integration and Visualization for Enhanced Resilience and Sustainability in Hydropower." In Phase I, technical feasibility was established with the development and demonstration of all the new technologies that are required. Most notably, DIVERS-H will use new artificial intelligence (AI) methods to capture the complex dynamics of water availability, demand, and environmental changes. In addition, new data management software was developed, and a prototype user interface was implemented as the precursor to a full scale decision support system. With technical research complete, the project focus now shifts to development of a commercial software product to provide users with actionable insight into water availability and the risk/resilience of critical systems at their locations of interest. Although DIVER-H was originally conceived as a tool for hydroelectric power applications, the same underlying technology can be readily applied to other water-consuming systems including coal, natural gas, oil, and nuclear power plants.

Chaudhary, Aashish [Kitware, Inc., Clifton Park, N↗

Knowledge-guided machine learning can improve carbon cycle quantification in agroecosystems

Abstract Accurate and cost-effective quantification of the carbon cycle for agroecosystems at decision-relevant scales is critical to mitigating climate change and ensuring sustainable food production. However, conventional process-based or data-driven modeling approaches alone have large prediction uncertainties due to the complex biogeochemical processes to model and the lack of observations to constrain many key state and flux variables. Here we propose a Knowledge-Guided Machine Learning (KGML) framework that addresses the above challenges by integrating knowledge embedded in a process-based model, high-resolution remote sensing observations, and machine learning (ML) techniques. Using the U.S. Corn Belt as a testbed, we demonstrate that KGML can outperform conventional process-based and black-box ML models in quantifying carbon cycle dynamics. Our high-resolution approach quantitatively reveals 86% more spatial detail of soil organic carbon changes than conventional coarse-resolution approaches. Moreover, we outline a protocol for improving KGML via various paths, which can be generalized to develop hybrid models to better predict complex earth system dynamics.

54 ENVIRONMENTAL SCIENCES↗

Global flow structure and exact formal transseries of the Gubser flow in kinetic theory

In this work we introduce the generic conditions for the existence of a non-equilibrium attractor that is an invariant manifold determined by the long-wavelength modes of the physical system. We investigate the topological properties of the global flow structure of the Gubser flow for the Israel-Stewart theory and a kinetic model for the Boltzmann equation by employing Morse-Smale theory. We present a complete classification of the invariant submanifolds of the flow and determine all the possible flow lines connecting any pair of UV/IR fixed points. The formal transseries solutions to the Gubser dynamical system around the early-time (UV) and late-time (IR) fixed points are constructed and analyzed. It is proven that these solutions are purely perturbative (or power-law asymptotic) series with a finite radius of convergence. Based on these analyses, we find that Gubser-like expanding kinetic systems do not hydrodynamize owing to the failure of the hydrodynamization process which heavily relies on the classification of (non)hydrodynamic modes in the IR regime. This is in contrast to longitudinal boost-invariant plasmas where the asymptotic dynamics is described by a few terms of the hydrodynamic gradient expansion. We finally compare our results for both Bjorken and Gubser conformal kinetic models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Unlocking hidden information in sparse small-angle neutron scattering measurements

Hypothesis Small-Angle Neutron Scattering (SANS) is a powerful technique for studying soft matter systems such as colloids, polymers, and lyotropic phases, providing nanoscale structural insights. However, its effectiveness is limited by low neutron flux, leading to long acquisition times and noisy data. Here, we hypothesize that Bayesian statistical inference using Gaussian Process Regression (GPR) can reconstruct high-fidelity scattering data from sparse measurements by leveraging intensity smoothness and continuity. Experiments and Simulations The method was benchmarked computationally and validated through SANS experiments on various soft matter systems, including wormlike micelles, colloidal suspensions, polymeric structures, and lyotropic phases. GPR-based inference was applied to both experimental and synthetic data to evaluate its effectiveness in noise reduction and intensity reconstruction. Findings GPR significantly enhances SANS data quality and therefore reducing measurement times by up to two orders of magnitude. This cost-effective approach maximizes experimental efficiency, enabling high-throughput studies and real-time monitoring of dynamic systems. It is particularly beneficial for weakly scattering and time-sensitive studies. Beyond SANS, this framework applies to other low-SNR techniques, including laboratory-based small-angle X-ray scattering and various dynamical scattering methods. Furthermore, it offers transformative potential for compact neutron sources, enhancing their viability for structural analysis in resource-limited settings.

Small angle neutron scattering↗

Transient Efficiency Flexibility and Reliability Optimization of Coal-Fired Power Plants: Model-Predictive Control Library Development (Report)

This document pertains to the reporting requirements of DOE contract FE-0031767. The document covers the development of a model predictive control (MPC) library for implementing MPC for a general dynamic system. The library is implemented in a standardized manner in Matlab/Simulink, where core functions on model prediction, linearization and formulation and solution of a quadratic programming (QP) optimization problem is done in the core library - independent of the specific application. The user can provide the application-specific dynamic model in continuous and discrete time, to rapidly implement and test the MPC performance in a desktop simulation. The MPC optimization objective and constraints are also easily configured via an Excel file to allow iterative refinement as needed. Finally, the MPC library enables a rapid deployment to a target environment through auto C-code generation and containerization. The MPC library works seamlessly with the model based estimation (MBE) library to obtain the overall output feedback control solution. In this program, the reduced order model (ROM) of a coal-fired power plant (CFPP) is used to implement and test the MPC solution.

01 COAL, LIGNITE, AND PEAT↗

Simulation of the Multi-Wake Evolution of Two Sandia National Labs/National Rotor Testbed Turbines Operating in a Tandem Layout

The future of wind power systems deployment is in the form of wind farms comprised of scores of such large turbines, most likely at offshore locations. Individual turbines have grown in span from a few tens of meters to today’s large turbines with rotor diameters that dwarf even the largest commercial aircraft. These massive dynamical systems present unique challenges at scales unparalleled in prior applications of wind science research. Fundamental to this effort is the understanding of the wind turbine wake and its evolution. Furthermore, the optimization of the entire wind farm depends on the evolution of the wakes of different turbines and their interactions within the wind farm. In this article, we use the capabilities of the Common ODE Framework (CODEF) model for the analysis of the effects of wake–rotor and wake-to-wake interactions between two turbines situated in a tandem layout fully and partially aligned with the incoming wind. These experiments were conducted in the context of a research project supported by the National Rotor Testbed (NRT) program of Sandia National Labs (SNL). Results are presented for a layout which emulates the turbine interspace and relative turbine emplacement found at SNL’s Scaled Wind Technologies Facility (SWiFT), located in Lubbock, Texas. The evolution of the twin-wake interaction generates a very rich series of secondary transitions in the vortex structure of the combined wake. These ultimately affect the wake’s axial velocity patterns, altering the position, number, intensity, and shape of localized velocity-deficit zones in the wake’s cross-section. This complex distribution of axial velocity patterns has the capacity to substantially affect the power output, peak loads, fatigue damage, and aeroelastic stability of turbines located in subsequent rows downstream on the farm.

Baruah, Apurva (ORCID:0000000252354068)↗

Simulation of open quantum systems via low-depth convex unitary evolutions

Simulating physical systems on quantum devices is one of the most promising applications of quantum technology. Current quantum approaches to simulating open quantum systems are still practically challenging on NISQ-era devices, because they typically require ancilla qubits and extensive controlled sequences. In this work, we propose a hybrid quantum-classical approach for simulating a class of open system dynamics called random-unitary channels. These channels naturally decompose into a series of convex unitary evolutions, which can then be efficiently sampled and run as independent circuits. The method does not require deep ancilla frameworks and thus can be implemented with lower noise costs. We implement simulations of open quantum systems up to dozens of qubits and with large channel ranks. Published by the American Physical Society 2024

Peetz, Joseph (ORCID:0000000274458028)↗

FOCAL Campaign IV: Integrated System Control: Turbine + Hull

Campaign IV of the Floating Offshore-wind Controls Advanced Laboratory Experimental Program (FOCAL) aimed to generate a dataset enabling the validation of a floating offshore wind turbine with turbine and hull controls. The turbine considered in this campaign is the scaled IEA 15MW Reference Wind Turbine similar to the setup considered in FOCAL Campaign I. This turbine is mounted on the VolturnUS platform with integrated hull controls similar to the hull considered in FOCAL Campaign II/III. This system is deployed for a fully-coupled wind and wave testing campaign at the University of Maine's Harold Alfond Wind and Wave (W2) facility. System dynamics and turbine characteristics are measured to determine global performance and assess the effect of the control strategies employed. NREL's reference open-source controller (ROSCO) is used for active blade pitch control and hull structural control is examined through the use of tuned mass dampers (TMD's) tuned to the systems pitch and tower-bending natural frequency. The naming convention of the load cases considered are described in the data details section. Detailed properties on the modeled system are found in the following reference: Lenfest E., Floating Offshore-wind Controls Advanced Laboratory (FOCAL) Experimental Program - Campaign IV: 1:70 Model-scale Testing of the IEA-Wind 15MW Reference Turbine and the VolturnUS-S Platform. UMaine ASCC Report Number 23-57-1183.

17 WIND ENERGY↗

Rapid depletion analysis of flowing-pebble reactor systems at equilibrium using SCALE

Several high-temperature gas-cooled reactor concepts (and more recently, salt-cooled designs such as the fluoride salt-cooled high-temperature reactor) feature core designs employing continuously circulating fuel pebbles. These reactor designs permit both continuous online refueling of fuel elements as well as higher overall achievable discharge burnups. However, rapid calculation of time-dependent fuel isotopic inventories proves challenging for this class of dynamic systems with current analysis tools. While iterative approaches employing coupled neutron transport have been developed to solve this issue, rapid depletion analysis techniques are needed to calculate time-dependent inventories for individual pebbles and batches (and thus the construction of full- core inventory at equilibrium). We propose a depletion analysis strategy for this type of system for cores at equilibrium. Drawing upon previous neutronic analysis of the PBMR-400 equilibrium core, we demonstrate the viability of developing collapsed one-group cross section libraries suitable for performing rapid depletion analyses with SCALE. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Dynamics Informed Optimization for Resilient Energy Systems

Optimal mitigation planning for highly disruptive contingencies to a transmission-level power system requires optimization with dynamic power system constraints, due to the key role of dynamics in system stability to major perturbations. We formulate a generalized disjunctive program to determine optimal grid component hardening choices for protecting against major failures, with differential algebraic constraints representing system dynamics (specifically, differential equations representing generator and load behavior and algebraic equations representing instantaneous power balance over the transmission system). We optionally allow stochastic optimal pre-positioning across all considered failure scenarios, and optimal emergency control within each scenario. This novel formulation allows, for the first time, analyzing the resilience interdependencies of mitigation planning, preventive control, and emergency control. Using all three strategies in concert is particularly effective at maintaining robust power system operation under severe contingencies, as we demonstrate on the Western System Coordinating Council (WSCC) 9-bus test system using synthetic multi-device outage scenarios. Towards integrating our modeling framework with real threats and more realistic power systems, we explore applying hybrid dynamics to power systems. Our work is applied to basic RL circuits with the ultimate goal of using the methodology to model protective tripping schemes in the grid. Finally, we survey mitigation techniques for HEMP threats and describe a GIS application developed to create threat scenarios in a grid with geographic detail.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Multi-resolution partial differential equations preserved learning framework for spatiotemporal dynamics

Traditional data-driven deep learning models often struggle with high training costs, error accumulation, and poor generalizability in complex physical processes. Physics-informed deep learning (PiDL) addresses these challenges by incorporating physical principles into the model. Most PiDL approaches regularize training by embedding governing equations into the loss function, yet this depends heavily on extensive hyperparameter tuning to weigh each loss term. To this end, we propose to leverage physics prior knowledge by “baking” the discretized governing equations into the neural network architecture via the connection between the partial differential equations (PDE) operators and network structures, resulting in a PDE-preserved neural network (PPNN). This method, embedding discretized PDEs through convolutional residual networks in a multi-resolution setting, largely improves the generalizability and long-term prediction accuracy, outperforming conventional black-box models. The effectiveness and merit of the proposed methods have been demonstrated across various spatiotemporal dynamical systems governed by spatiotemporal PDEs, including reaction-diffusion, Burgers’, and Navier-Stokes equations.

97 MATHEMATICS AND COMPUTING↗

Tidal Love numbers and Green’s functions in black hole spacetimes

Tidal interactions play a crucial role in deciphering gravitational wave signals emitted by the coalescence of binary systems. They are usually quantified by a set of complex coefficients which include tidal Love numbers, describing the conservative response to an external perturbation. In the static case, these are found to vanish exactly for asymptotically flat black holes in general relativity in four space-time dimensions, and recently they have been generalized to dynamical interactions. In the context of response theory, the retarded Green’s function provides the complete description of the behavior of dynamical systems. Here, in this work we investigate the relation between Love numbers and Green’s functions, and highlight the relevance of radiation reaction effects to their connection. As a special case, we discuss Banados-Teitelboim-Zanelli black holes, where the absence of radiative modes allows us to make a direct link between them.

classical black holes↗

Exploring strongly correlated quantum spin systems with quantum computers

At inception, quantum annealing leveraged quantum mechanics for classical optimization tasks. However, as machine coherence increases, the realization of quantum spin systems has emerged as an even more fruitful application of this computational model. Alternatives to the standard gate model deserve exploration, to achieve useful quantum advantage via analog quantum computing. The recent demonstration of so-called coherent quantum annealing with 1,000s of qubits, further expands the potential for this hardware to explore quantum system dynamics where the effects of quantum fluctuations can be carefully controlled and observed directly. Implementing existing celebrated spin models—or in fact new and dedicated ones—into quantum annealers will lead to observation and detection of quantum phenomena not yet observed, or not visualized directly, in experimental physics laboratories. Rather than computing or simulating quantum systems, these quantum computers allow one to simply build quantum systems, and experiment on them in an uniquely controlled way, with characterization down to the constitutive degree of freedom. This provides an unprecedented opportunity for understanding the physics of quantum spin systems. Keywords: Theoretical physics currently abounds of interesting theoretical spin models to explore frustration, strongly correlated spins, spin liquids, fractionalized excitations, and topological matter. However enticing, such models are generally only weak proxies for the properties of actual materials. In quantum annealers these models could be realized and experimented upon. Moreover, many more realistic models of such materials could be realized in quantum annealers. Employed in this way, quantum annealers provide an extraordinary versatile platform to explore quantum effects that are hard to find, detect, and characterize in natural materials.

36 MATERIALS SCIENCE↗

A Study of the Properties and Dynamics of the Disk of Satellites in a Milky-Way-like Galaxy System

The dynamics of the satellite systems of Milky-Way-like galaxies offer a useful means by which to study the galaxy formation process in the cosmological context. It has been suggested that the currently observed anisotropic distribution of the satellites in such galaxy systems is inconsistent with the concordance ΛCDM cosmology model on the galactic scale if the observed satellites are random samples of the dark matter (DM) sub-halos that are nearly isotropically distributed around the central galaxy. In this study, we present original high-resolution zoom-in studies of central galaxies and satellite systems based upon initial conditions for the DM distribution from the Aquarius simulations but with substantial high-resolution baryon physics added. We find that the galaxy most like the Milky Way in this study does indeed contain a disk of satellites (DOS). Although one galaxy DOS system does not answer the question of how common such disks are, it does allow the opportunity to explore the properties and dynamics of the DOS system. Our investigation centers on the spatial arrangement (distances, angles, etc.) of satellites in this Milky-Way-like galaxy system with a specific emphasis on identifying and analyzing the disk-like structure along with its dynamical and morphological properties. Among the conclusions from this study, we find that the satellites and DM sub-halos in the galaxy simulations are anisotropically distributed. The dynamical properties of the satellites, however, indicate that the direction of the angular momentum vector of the whole satellite system is different from the normal direction of the fitted DOS and from the normal direction of the velocity dispersion of the system. Hence, the fitted DOS appears to be comprised of infalling sub-halos and is not a rotationally supported system.

Zhao, Xinghai↗

Polynomial chaos expansions on principal geodesic Grassmannian submanifolds for surrogate modeling and uncertainty quantification

In this work we introduce a manifold learning-based surrogate modeling framework for uncertainty quantification in high-dimensional stochastic systems. Our first goal is to perform data mining on the available simulation data to identify a set of low-dimensional (latent) descriptors that efficiently parameterize the response of the high-dimensional computational model. To this end, we employ Principal Geodesic Analysis on the Grassmann manifold of the response to identify a set of disjoint principal geodesic submanifolds, of possibly different dimension, that captures the variation in the data. Since operations on the Grassmann require the data to be concentrated, we propose an adaptive algorithm based on Riemannian K-means and the minimization of the sample Fréchet variance on the Grassmann manifold to identify “local” principal geodesic submanifolds that represent different system behavior across the parameter space. Polynomial chaos expansion is then used to construct a mapping between the random input parameters and the projection of the response on these local principal geodesic submanifolds. Here, the method is demonstrated on four test cases, a toy-example that involves points on a hypersphere, a Lotka-Volterra dynamical system, a continuous-flow stirred-tank chemical reactor system, and a two-dimensional Rayleigh-Bénard convection problem.

42 ENGINEERING↗

Measurement and feedback-driven adaptive dynamics in the classical and quantum kicked top

In classical dynamical systems, stochastic feedback can stabilize otherwise unstable periodic orbits, giving rise to distinct controlled and uncontrolled phases as the rate of control application is varied. In this work, we apply these control protocols in classical, semiclassical, and quantum regimes to the kicked top, a paradigmatic model of quantum chaos. The quantum kicked top, modeled as the dynamics of a spin-S object, naturally interpolates between these regimes with the spin size S acting as an effective Planck constant. We show that the dynamics of the kicked top in classical, semiclassical, and fully quantum limits can all be controlled using stochastic feedback protocols. Comparing the full quantum dynamics to a truncated Wigner approximation that captures quantum noise but neglects interference beyond the Ehrenfest time, we find that low-moment observables are largely accounted for semiclassically, while the remaining discrepancy in higher moments is consistent with contributions from interference and possibly nonlinearities in rare trajectories that explore the compact phase space. We also find rapid purification in the numerics studied for all rates of control considered, suggesting that control quenches the top's ability to encode a qubit of quantum information even in the uncontrolled phase.

Prasad, Mahaveer [Tata Inst.; Singapore U. Tech. D↗

Neural network representation of electronic structure from ab initio molecular dynamics

Despite their rich information content, electronic structure data amassed at high volumes in ab initio molecular dynamics simulations are generally under-utilized. Here we introduce a transferable high-fidelity neural network representation of such data in the form of tight-binding Hamiltonians for crystalline materials. This predictive representation of ab initio electronic structure, combined with machine-learning boosted molecular dynamics, enables efficient and accurate electronic evolution and sampling. When it is applied to a one-dimension charge-density wave material, carbyne, we are able to compute the spectral function and optical conductivity in the canonical ensemble. The spectral functions evaluated during soliton-antisoliton pair annihilation process reveal significant renormalization of low-energy edge modes due to retarded electron-lattice coupling beyond the Born–Oppenheimer limit. The availability of an efficient and reusable surrogate model for the electronic structure dynamical system will enable calculating many interesting physical properties, paving the way to previously inaccessible or challenging avenues in materials modeling.

74 ATOMIC AND MOLECULAR PHYSICS↗

Optimization of distributed compute resources utilization in the CMS Global Pool

The CMS Submission Infrastructure is the primary system for managing computing resources for CMS workflows, including data processing, simulation, and analysis. It integrates geographically distributed resources from Grid, HPC, and cloud providers into federated pools managed by HTCondor and Glidein- WMS, for a total of around 500k CPU cores. This system dynamically manages workloads based on priorities defined by the collaboration. Additionally, CMS scheduling strategies must be flexible to handle multiple concurrent workloads while considering changing processing demands and resource availability from various providers.Efficient utilization of vast amounts of distributed compute resources is a key element for the success of the scientific programs of the LHC experiments. Optimizing the system is essential to maximize resource efficiency and fully utilize the distributed computing power. The CMS Submission Infrastructure team thus systematically investigates sources of inefficiency in workload scheduling to reduce their impact. In addition, a strategy of pilot overloading has been introduced to compensate for other inefficiency sources, thereby optimizing resource utilization and enhancing computational throughput.

Mascheroni, Marco [UC, San Diego (main)]↗