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At least 973 records · Page 54

PowerModelsGAT-AI: Physics-Informed Graph Attention for Multi-System Power Flow With Continual Learning

Solving the alternating current power flow equations in real time is essential for secure grid operation, yet classical Newton–Raphson solvers can be slow under stressed conditions. Existing graph neural networks for power flow are typically trained on a single system and often degrade on different systems. We present PowerModelsGAT-AI, a physics-informed graph attention network that predicts bus voltages and generator injections. The model uses bus-type-aware masking to handle different bus types and balances multiple loss terms, including a power-mismatch penalty, using learned weights. We evaluate the model on 14 benchmark systems (4 to 6,470 buses) and train a unified model on 13 of these under contingency conditions with up to two branch outages, achieving an average normalized mean absolute error of 0.89% for voltage magnitudes and R 2 >0.99 for voltage angles. We also show continual learning: when adapting a base model to a new 1,354-bus system, standard fine-tuning causes severe forgetting with error increases exceeding 1000% on base systems, while our experience replay and elastic weight consolidation strategy keeps error increases below 2% and in some cases improves base-system performance. Interpretability analysis shows that learned attention weights correlate with physical branch parameters (susceptance: r=0.38 ; thermal limits: r=0.22 ), and feature importance analysis supports that the model captures established power flow relationships.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Techniques for determining physical zones of influence

Techniques for analyzing flow of a quantity in a given domain are provided. In one aspect, a method for modeling regions in a domain affected by a flow of a quantity is provided which includes the following steps. A physical representation of the domain is provided. A grid that contains a plurality of grid-points in the domain is created. Sources are identified in the domain. Given a vector field that defines a direction of flow of the quantity within the domain, a boundary value problem is defined for each of one or more of the sources identified in the domain. Each of the boundary value problems is solved numerically to obtain a solution for the boundary value problems at each of the grid-points. The boundary problem solutions are post-processed to model the regions affected by the flow of the quantity on the physical representation of the domain.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Capability Building Progression of an Insider Threat Mitigation Program at an International Research Reactor

The nuclear industry recognizes the difficulties involved in developing effective managerial and leadership skills in a highly technical and proficient workforce such as that found in nuclear facilities. Implementing an insider threat mitigation program (ITMP) within the nuclear industry is a complex and ongoing process that demands a comprehensive understanding of human behavior, an organization’s security culture, and rigorous regulatory requirements yet also accounts for facility characteristics, physical security, material flow, and activities involving nuclear material. Given the high-consequence nature of research reactor operations, even minor lapses can lead to safety, security, and reputational risks. An effective ITMP requires a defense-in-depth approach that incorporates behavioral analysis, robust vetting procedures, continuous monitoring, and cross-disciplinary coordination. It must also promote a culture of vigilance and accountability at all levels up to and including executive leadership but be flexible enough to adapt to evolving global threats and technological advances. Insider threat mitigation is not a one-time effort but rather a sustained commitment to excellence in safety and security. Establishing a culture in which personnel proactively report incidents and issues that could affect nuclear safety and security is vital to maintaining a safe and secure operational environment. This document was developed to guide senior management and research reactor organizations in creating comprehensive programs to effectively manage and mitigate insider threat behaviors and actions. It focuses on the key pillars of an effective ITMP, including the national legal framework, security culture, preventive and protective measures, cyber security, and performance evaluation. By using a systematic approach during implementation, facilities can foster environments conducive to insider threat detection and support long-term program sustainability. The document also provides strategies for improving communication across all levels of an organization, helping to eliminate barriers that hinder the development of robust ITMPs and enhance overall security culture. In today’s organizations, the concept of leveraging safety and security culture lessons to facilitate knowledge transfer is rapidly evolving to expedite insider threat management and security culture improvements. This document outlines the rationale for evaluating an ITMP based on national customs, culture, and stakeholders. The elements are all germane to reliability and trustworthiness and relate to security concerns that states may encounter. The document focuses not only on individual perceptions regarding security issues and capability building but also on team building and how to resolve concerns. The implementers of a facility’s ITMP may zero in on indicators of insider threats within their enterprise. This material will benefit organizations when it is applied using a systematic and structured approach as demonstrated throughout the document.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments

Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.

benchmark↗

Relating flow resistance to equivalent roughness

Describing flow resistance using the physical properties of an underlying surface is a recalcitrant problem in overland flow models. If discharge measurements are available, an equivalent roughness (e.g., Manning’s n) can be calibrated to represent the effects of surface properties within the domain with a single numerical value. Alternatively, the flow resistance can be estimated from discharge and velocity measured at a point, typically a runoff plot outlet. However, such experimental estimates are often inconsistent with the equivalent roughness determined from calibration to discharge, even if both derive from the same dataset. For example, if Manning’s equation is used to parameterize flow resistance, the Manning’s n obtained by calibrating a model to discharge differs from the value of n calculated from measured flow and velocity at the hillslope outlet. Here, this discrepancy is resolved by deriving a correction factor relating experimentally-determined flow resistance to the equivalent roughness. The derived correction factor is tested for four commonly-used resistance formulations using 129 rainfall simulator experiments. The correction factor is necessary to reproduce measured velocities, and yields minor improvements in discharge prediction. Plain Language Summary: Accurate runoff prediction is needed for land and water management in dryland regions, where sporadic and limited rainfall necessitate efficient water use and drought mitigation strategies. The skill of runoff models is known to be hindered by out ability to estimate flow resistance, which is the quantity that describes how energy is lost from flowing water to the underlying surface. Typically, models represent flow resistance with an equivalent roughness, e.g., Manning’s n, that is adjusted until the model can reproduce available discharge observations at watershed scale. However, the flow resistance measured in plot-scale experiments (1–10 m) often exceeds equivalent roughness coefficients by a factor of 10. This means that the direct use of plot-scale experimental data to parameterize runoff models could cause errors in discharge and runoff velocity predictions. Here, we resolve these differences by deriving an analytic correction factor that relates flow resistance to the equivalent roughness required for models to reproduce experimental velocity and discharge data. This correction factor is tested using rainfall simulator data from 129 experiments performed in the US Southwest covering a wide range of precipitation intensities, soil textures and vegetation types. Use of the correction factor substantially improves model prediction of flow velocity, which is needed for reproducing the timing of flood events and the estimation of erosion.

54 ENVIRONMENTAL SCIENCES↗

Direct molecular diffusion and micro-mixing for rapid dewatering of LiBr solution

A slow molecular diffusion rate often limits the desorption process of an absorbate molecule from a liquid absorbent. To enhance the desorption rate, the absorbent is often boiled to increase the liquid vapor interfacial area. However, the growth of bubbles generated during the nucleate boiling process still remains mass-diffusion limited. Here, it is shown that a desorption rate higher than that of boiling can be achieved, if the vapor absorbent interface is continuously replenished with the absorbate-rich solution to limit the concentration boundary layer growth. The study is conducted in a LiBr-water-solution, in which the water molecules' diffusion rate is quite slow. The manipulation of the vapor solution interface concentration distribution is enabled by the mechanical confinement of the solution flow within microchannels, using a hydrophobic vapor-venting membrane and the implementation of microstructures on the flow channel's bottom wall. The microstructures stretch and fold the laminar streamlines within the solution film and produce vortices. The vortices continuously replace the concentrated solution at the vapor solution interface with the water-rich solution brought from the bottom and middle of the flow channel. The physics of the process is described using a combination of experimental and numerical studies. Published by Elsevier Ltd.

Bigham, S↗

Application of predictive data analytics to model daily hydrocarbon production using petrophysical, geomechanical, fiber-optic, completions, and surface data: A case study from the Marcellus Shale, North America

Predicting gas production from stimulated unconventional reservoirs has always been a challenge to oil and gas companies because the physics of fluid flow through such reservoirs is not well understood. On the other hand, modeling gas production from shale reservoirs is a complex multi-variate problem that requires proper integration of data from multiple disciplines, such as geology, petrophysics, geomechanics, completions, and surface-based measurements, etc. Here this study demonstrates the application of data-driven machine learning algorithms, integrating geoscientific, distributed acoustic sensing (DAS), distributed temperature sensing (DTS) fiber-optic, completions, flow scanner production log, and surface data to model daily gas production from a 28-stage stimulated horizontal well drilled in the Marcellus Shale of the Appalachian basin in North America. In addition, this study aims to utilize the data from a fiber-optic monitoring system, such as DAS and DTS to evaluate the well performance. We build supervised data-driven machine learning models using Random Forest (RF), Artificial Neural Network (ANN), and Support Vector Machine (SVM) algorithms to understand the well performance and forecast the daily gas production. The study compares the forecasted results, tests the level of accuracy, and addresses different issues with these machine learning algorithms. A spatio-temporal database is constructed and used to perform sensitivity analyses to identify the key drivers for gas production. The results show that RF and ANN algorithms can be used to predict daily gas production with significantly high accuracy; however, RF algorithm is the best predictor in terms of highest accuracy (96%), less computational time and cost. Based on sensitivity analysis, it appears that Poisson's ratio, minimum horizontal stress, DAS, casing pressure, gamma log are the most important parameters to predict gas production.

02 PETROLEUM↗

SimELIT: A Novel GUI-Based Comprehensive Ion Trajectory Simulation Software for Mass Spectrometry

Ion trajectory simulation in mass spectrometry systems from injection to detection is technically challenging but very important for better understanding the ion dynamics in instrument development. Here, in this work, we present SimELIT (Simulator of Eulerian and Lagrangian Ion Trajectories), a novel ion trajectory simulation platform. SimELIT is built upon a suite of multiphysics solvers compiled into OpenFOAM (an open-source numerical solver library particularly used for computational mechanics), with a simple web-based graphical user interface (GUI) allowing users to define the details of OpenFOAM cases and run simulations. SimELIT is a modular program and can provide extensions of physics (e.g., gas flows, electrodynamic fields) and thus enable ion trajectory simulations from the ion source to detector. The current version (SimELIT) provides two numerical solvers for ion trajectory simulations–(1) a Lagrangian particle tracker in vacuum and (2) a Eulerian ion density solver in background gas in the presence of electric fields. Here, we describe the architecture of SimELIT, including its use of Docker and the React Framework, and demonstrate the computation of ion trajectories of multiple m/z values in a static/linear voltage drop in vacuum (across a 1 m long flight tube). Further, the drift motion of ions under 1 Torr pressure conditions in a static background (N 2 ) gas through a 20 V/cm static electric field is shown. The results produced from SimELIT were compared with SIMION and theoretical estimates. In addition, we report the computation of ion trajectories in electrodynamic fields within a planar FAIMS device operating at atmospheric pressure.

97 MATHEMATICS AND COMPUTING↗

Bridging microscopy with molecular dynamics and quantum simulations: an atomAI based pipeline

Recent advances in (scanning) transmission electron microscopy have enabled a routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for atomistic simulations. In this fashion, the theory will address experimentally emerging structures, as opposed to the full range of theoretically possible atomic configurations. However, this challenge is highly nontrivial due to the extreme disparity between intrinsic timescales accessible to modern simulations and microscopy, as well as latencies of microscopy and simulations per se. Addressing this issue requires as a first step bridging the instrumental data flow and physics-based simulation environment, to enable the selection of regions of interest and exploring them using physical simulations. Here we report the development of the machine learning workflow that directly bridges the instrument data stream into Python-based molecular dynamics and density functional theory environments using pre-trained neural networks to convert imaging data to physical descriptors. Additionally, the pathways to ensure structural stability and compensate for the observational biases universally present in the data are identified in the workflow. This approach is used for a graphene system to reconstruct optimized geometry and simulate temperature-dependent dynamics including adsorption of Cr as an ad-atom and graphene healing effects. However, it is universal and can be used for other material systems.

36 MATERIALS SCIENCE↗

Charges on a suspended silicon nitride membrane under a high-energy electron beam

Thin silicon nitride (SiN x ) membranes are widely used in gas and liquid phase transmission electron microscopy (TEM) and as phase plates to enhance imaging contrast. SiN x contains trap sites for both positive and negative charges, which can be manipulated by high-energy electron irradiation, external potential biasing, or light exposure. Charge accumulation on the membrane can significantly affect in situ TEM processes, including chemical and electrochemical reactions, nanoparticle dynamics, and catalytic activity, or introduce unwanted phase shifts when used as a phase plate. Here, in this study, charge accumulation on suspended SiN x membranes was investigated using off-axis electron holography combined with model-free charge analysis, supported by custom finite element analysis (FEA) simulations. An average residual positive charge density of approximately 2.8 × 10 −4 C m −2 was measured. Localized and stable regions of both positive and negative charges were identified on the membrane. The global positive and localized positive/negative charges give rise to strong electric fields and electroosmotic slip velocities at the membrane surface, which are sufficient to induce non-Brownian particle behavior and directional fluid flow, offering a physical explanation for previously observed anomalies in particle dynamics, nucleation, and growth during gas and liquid phase TEM experiments. These results provide a benchmark for understanding charge behavior at SiNx interfaces in gas and liquid phase TEM. Furthermore, the FEA simulations establish a framework for future investigations into charge distribution, electrostatic potentials, and electrical double layers at solid–liquid interfaces, particularly in complex geometries and chemically dynamic environments.

Suspended silicon↗

Computational general relativistic force-free electrodynamics: I. Multi-coordinate implementation and testing

General relativistic force-free electrodynamics is one possible plasma-limit employed to analyze energetic outflows in which strong magnetic fields are dominant over all inertial phenomena. The amazing images of black hole (BH) shadows from the Galactic Center and the M87 galaxy provide a first direct glimpse into the physics of accretion flows in the most extreme environments of the universe. The efficient extraction of energy in the form of collimated outflows or jets from a rotating BH is directly linked to the topology of the surrounding magnetic field. We aim at providing a tool to numerically model the dynamics of such fields in magnetospheres around compact objects, such as BHs and neutron stars. To do so, we probe their role in the formation of high energy phenomena such as magnetar flares and the highly variable teraelectronvolt emission of some active galactic nuclei. In this work, we present numerical strategies capable of modeling fully dynamical force-free magnetospheres of compact astrophysical objects. Here, we provide implementation details and extensive testing of our implementation of general relativistic force-free electrodynamics in Cartesian and spherical coordinates using the infrastructure of the E INSTEIN T OOLKIT . The employed hyperbolic/parabolic cleaning of numerical errors with full general relativistic compatibility allows for fast advection of numerical errors in dynamical spacetimes. Such fast advection of divergence errors significantly improves the stability of the general relativistic force-free electrodynamics modeling of BH magnetospheres.

79 ASTRONOMY AND ASTROPHYSICS↗

Evolution of Kelvin-Helmholtz instability at Venus in the presence of the parallel magnetic field

Two-dimensional MHD simulations were performed to study the evolution of the Kelvin-Helmholtz (KH) instability at the Venusian ionopause in response to the strong flow shear in presence of the in-plane magnetic field parallel to the flow direction. The physical behavior of the KH instability as well as the triggering and occurrence conditions for highly rolled-up vortices are characterized through several physical parameters, including Alfvén Mach number on the upper side of the layer, the density ratio, and the ratio of parallel magnetic fields between two sides of the layer. Using these parameters, the simulations show that both the high density ratio and the parallel magnetic field component across the boundary layer play a role of stabilizing the instability. In the high density ratio case, the amount of total magnetic energy in the final quasi-steady status is much more than that in the initial status, which is clearly different from the case with low density ratio. We particularly investigate the nonlinear development of the case that has a high density ratio and uniform magnetic field. Before the instability saturation, a single magnetic island is formed and evolves into two quasi-steady islands in the non-linear phase. A quasi-steady pattern eventually forms and is embedded within a uniform magnetic field and a broadened boundary layer. The estimation of loss rates of ions from Venus indicates that the stabilizing effect of the parallel magnetic field component on the KH instability becomes strong in the case of high density ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

HIGH-RESOLUTION X-RAY SPECTROSCOPY OF THE BURSTING PULSAR GRO J1744-28

The bursting pulsar GRO J1744-28 is a Galactic low-mass X-ray binary that distinguishes itself by displaying type-II X-ray bursts: brief, bright flashes of X-ray emission that likely arise from spasmodic accretion. Combined with its coherent 2.1 Hz X-ray pulsations and relatively high estimated magnetic field, it is a particularly interesting source to study the physics of accretion flows around neutron stars. Here we report on Chandra/High Energy Transmission Grating observations obtained near the peak of its bright 2014 accretion outburst. Spectral analysis suggests the presence of a broad iron emission line centered at E {sub l} ≅ 6.7 keV. Fits with a disk reflection model yield an inclination angle of i ≅ 52° and an inner disk radius of R {sub in} ≅ 85 GM/c {sup 2}, which is much further out than typically found for neutron star low-mass X-ray binaries. Assuming that the disk is truncated at the magnetospheric radius of the neutron star, we estimate a magnetic field strength of B ≅ (2-6) × 10{sup 10} G. Furthermore, we identify an absorption feature near ≅ 6.85 keV that could correspond to blue-shifted Fe XXV and point to a fast disk wind with an outflow velocity of v {sub out} ≅ (7.5-8.2) × 10{sup 3} km s{sup –1} (≅ 0.025c-0.027c). If the covering fraction and filling factor are large, this wind could be energetically important and perhaps account for the fact that the companion star lost significant mass while the magnetic field of the neutron star remained strong.

79 ASTRONOMY AND ASTROPHYSICS↗

Multiparticle correlations, cumulants, and moments sensitive to fluctuations in rare-probe azimuthal anisotropy in heavy ion collisions

Correlations of two or more particles have been an essential tool for understanding the hydrodynamic behavior of the quark-gluon plasma created in ultrarelativistic nuclear collisions. In this work, we extend that framework to introduce a mathematical construction of multiparticle correlators that utilize correlations between arbitrary numbers of particles of interest (e.g., particles selected for their strangeness, heavy flavor, and conserved charges) and inclusive reference particles to estimate the azimuthal anisotropies of rare probes. To estimate the fluctuations and correlations in the azimuthal anisotropies of these particle of interest, we use these correlators in a system of cumulants, raw moments, and central moments. Finally, we introduce two classes of observables that can compare the fluctuations in the azimuthal anisotropies of particles of interest with reference particles at each order.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Phenomenological models of two-particle correlation distributions on transverse momentum in relativistic heavy-ion collisions

Two-particle, pair-number correlation distributions on two-dimensional transverse momentum (p t1 , p t2 ) constructed from the particle production in relativistic heavy-ion collisions allow access to dynamical processes in these systems beyond what can be studied with angular correlations alone. Only a few measurements of this type have been reported in the literature, and phenomenological models, which facilitate physical interpretation of the correlation structures, are nonexistent. Ongoing efforts at the Relativistic Heavy-Ion Collider (RHIC) will provide a significant volume of these correlation measurements in the future. In anticipation of these new data, two phenomenological models are developed which describe two-dimensional (2D) correlation distributions on transverse momentum. One model is based on a collision event-by-event fluctuating blast wave. The other is based on event-by-event fluctuations in fragmenting color-flux tubes and in jets. Both models are shown to be capable of accurately describing the measured single-particle p t distributions for minimum-bias Au+Au collisions at √s NN = 200 GeV. Both models are then applied to preliminary, charged-particle correlation measurements on 2D transverse momentum. Here, the capabilities of the two models for describing the overall structure of these correlations, the stability of the fitting results with respect to collision centrality, and the resulting trends of the dynamical fluctuations are evaluated. In general, both phenomenological models are capable of qualitatively describing the major correlation structures on transverse momentum and can be used to establish the required magnitudes and centrality trends of the fluctuations. Both models will be useful for interpreting the forthcoming correlation data from the RHIC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Grand Challenges in the Science of Wind Energy

The energy system of the future that depends on 80% or more renewable energy will put new demands on the wind systems that support it. There are significant areas of scientific uncertainly that need to be addressed to enable the innovation required for success. This presentation, based on a 2019 article in Science, lays out those areas of scientific challenges and proposes an integrated wind energy discipline that encompasses the needed research.

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

Closure Schemes for Stably Stratified Atmospheric Flows without Turbulence Cutoff

Two recently proposed turbulence closure schemes are compared against the conventional Mellor–Yamada (MY) model for stably stratified atmospheric flows. The Energy- and Flux-Budget (EFB) approach solves the budgets of turbulent momentum and heat fluxes and turbulent kinetic and potential energies. The Cospectral Budget (CSB) approach is formulated in wavenumber space and integrated across all turbulent scales to obtain flow variables in physical space. Unlike the MY model, which is subject to a “critical gradient Richardson number,” both EFB and CSB models allow turbulence to exist at any gradient Richardson number R i and predict a saturation of flux Richardson number ( R f → R fm ) at sufficiently large R i . The CSB approach further predicts the value of R fm and reveals a unique expression linking the Rotta and von Kármán constants. Hence, all constants in the CSB model are nontunable and stability independent. All models agree that the dimensionless sensible heat flux decays with increasing R i . However, the decay rate and subsequent cutoff in the MY model appear abrupt. The MY model further exhibits an abrupt cutoff in the turbulent stress normalized by vertical velocity variance, while the CSB and EFB models display increasing trends. The EFB model produces a rapid increase in the ratio of turbulent potential energy and vertical velocity variance as R fm is approached, suggesting a strong self-preservation mechanism. Vertical anisotropy in the turbulent kinetic energy is parameterized in different ways in MY and EFB, but this consideration is not required in CSB. Differences between EFB and CSB model predictions originate from how the vertical anisotropy is specified in the EFB model.

54 ENVIRONMENTAL SCIENCES↗

V&V Framework Part 1 Release

The objective of this document is to accurately predict, assess and optimize wind plant performance utilizing High Performance Modeling (HPC) tools developed in a community-based, open-source simulation environment to understand and accurately predict the fundamental physics and complex flows of the atmospheric boundary layer, interaction with the wind plant, as well as the response of individual turbines to the complex flows within that plant

54 ENVIRONMENTAL SCIENCES↗