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At least 739 records · Page 41

Deep Koopman Neural Network for Analyzing High-Energy-Density Simulations of Electrical Wire Explosions

Megaampere-scale electrical wire experiments (EWEs) provide a platform for studying magnetohydrodynamic (MHD) instability growth in magneto-inertial fusion (MIF) devices. Even when nonlinear simulations of these experiments can digitally reproduce much of the experimentally observed instability growth, interpreting the results and understanding mode growth and evolution can be non-trivial. As a first step toward providing better interpretation of these simulation features, this work investigates the use of a deep neural network that uses Koopman operator theory to analyze the dynamics of pulsed-power-driven explosions of EWEs. This deep neural network is trained on 1-D resistive MHD simulations of EWEs. This neural network learns to transform the nonlinear data into a lower-dimensional representation where the time dynamics are linear. Layers of this neural network are shown to learn features of the simulations, including the locations of shock waves and different physical regimes of the simulation. Using the learned features, the network can compress a time state of the simulation consisting of 5120 data point into a 36-parameter lower-dimensional latent space embedding. Furthermore, these embeddings are shown to be clustered in the latent space by initial radius and time state.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The matrix product approximation for the dynamic cavity method

Stochastic dynamics of classical degrees of freedom, defined on vertices of locally tree-like graphs, can be studied in the framework of the dynamic cavity method which is exact for tree graphs. Such models correspond for example to spin-glass systems, Boolean networks, neural networks, and other technical, biological, and social networks. The central objects in the cavity method are edge messages—conditional probabilities of two vertex variable trajectories. In this paper, we discuss a rather pedagogical derivation for the dynamic cavity method, give a detailed account of the novel matrix product edge message (MPEM) algorithm for the solution of the dynamic cavity equation as introduced, and present optimizations and extensions. Matrix product approximations of the edge messages are constructed recursively in an iteration over time. Computation costs and precision can be tuned by controlling the matrix dimensions of the MPEM in truncations. Without truncations, the dynamics is exact. Data for Glauber–Ising dynamics shows a linear growth of computation costs in time. In contrast to Monte Carlo simulations, the approach has a much better error scaling. Hence, it gives for example access to low probability events and decaying observables like temporal correlations. Here, we discuss optimized truncation schemes and an extension that allows to capture models which have a continuum time limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental evaluation of dynamic data allocation strategies in a distributed database with changing workloads

Traditionally, allocation of data in distributed database management systems has been determined by off-line analysis and optimization. This technique works well for static database access patterns, but is often inadequate for frequently changing workloads. In this paper we address how to dynamically reallocate data for partionable distributed databases with changing access patterns. Rather than complicated and expensive optimization algorithms, a simple heuristic is presented and shown, via an implementation study, to improve system throughput by 30 percent in a local area network based system. Based on artificial wide area network delays, we show that dynamic reallocation can improve system throughput by a factor of two and a half for wide area networks. We also show that individual site load must be taken into consideration when reallocating data, and provide a simple policy that incorporates load in the reallocation decision.

Brunstrom, Anna↗

Optimizing dynamic wireless charging for electric buses: A data-driven approach to infrastructure planning

The network configuration significantly impacts the performance of dynamic wireless charging (DWC) technology for electric buses. Here, this study presents a novel approach to planning charging infrastructure for public transit using data-driven nonconvex mixed-integer optimization. Integrating DWC and charging station technologies reveals a trade-off between enroute and stationary charging times. Our framework optimizes bus frequency settings and transmitter coil arrangements to minimize operational and infrastructure costs. A case study in Chattanooga, Tennessee, demonstrates the method's effectiveness in mitigating range anxiety and reducing charging expenses. This research implies that integrating DWC technology into public transit systems can enhance the feasibility and cost-effectiveness of electric bus operations, promoting sustainable urban mobility.

33 ADVANCED PROPULSION SYSTEMS↗

Insights into Rotational and Translational Dynamics in Mixtures of Ethylene Glycol and Choline Chloride Using Nuclear Magnetic Resonance Techniques

This work examines molecular dynamics and interactions in ethylene glycol–choline chloride (EG–ChCl) mixtures across 0–33 mol % ChCl, spanning the true eutectic region near 17–20 mol % and the commonly used 1:2 formulation. We combine pulsed-field-gradient (PFG) diffusion, fast-field-cycling (FFC) relaxometry, temperature-dependent 13 C T 1 , and nuclear Overhauser effect spectroscopy (NOESY) to disentangle local from macroscopic dynamics. PFG and FFC show that both translational and average rotational motions largely track the strong increase in viscosity with ChCl content, with ethylene glycol consistently diffusing faster than the choline cation and no global dynamical anomaly at the eutectic composition. More subtle, site-specific composition effects nevertheless emerge. The ratio of the diffusion coefficient of the hydroxyl group of choline to the diffusion coefficient of the methyl group of choline displays a shallow minimum in the 17–25 mol % region, indicating a modest change in how the hydroxyl-bearing end of choline samples the underlying translational motion relative to the methyl groups. 13 C T 1 analysis shows that rotational correlation times at 25 °C generally increase with ChCl, reflecting viscosity-coupled slowing, while the CH 2 –N α site exhibits a small but reproducible deviation from this monotonic trend near the eutectic. NOESY spectra at similar compositions reveal enhanced cross-relaxation between EG and choline protons, consistent with increased headgroup–solvent contact density rather than a wholesale structural rearrangement. Overall, our multitechnique study demonstrates that EG–ChCl dynamics are predominantly viscosity-dominated, with the eutectic region acting as a subtle dynamical crossover where specific choline segments become maximally coupled to the hydrogen-bond network. These insights refine the structure–dynamics picture of choline-chloride DESs and provide practical guidance for tuning composition in electrochemical, separation, and catalytic applications.

diffusion↗

Oscillation Risks of Grid-Following and Grid-Forming Inverter-Based Resources in Series-Compensated Networks

Here, this paper investigates the dynamic behavior of a grid-connected inverter-based resource (IBR) when connected radially to a series compensated line. Potential interactions between the series compensation and the IBR have been identified for both types: grid-following (GFL) or grid-forming (GFM). The study begins with electromagnetic transient (EMT) simulations to demonstrate stability issues. Subsequently, nonlinear analytical models are formulated in the dq frame, validated against the EMT simulation, and leveraged to assess eigenvalues and participation factors. Influencing factors of the dominant oscillation modes have been identified. The analysis results show that series compensation may make a mode associated with the synchronization unit unstable. Furthermore, customized feedback systems are built for the synchronizing loop. Series compensation can increase the sensitivity of the voltage phase angle towards the synchronizing angle, and introduce phase lag in the real power response towards the synchronizing angle. These factors may cause interactions with the phase-locked loop in GFL-IBR systems and with power-based synchronization in GFM-IBR systems, potentially leading to instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Algorithm For A Self-Growing Neural Network

CID3 algorithm simulates self-growing neural network. Constructs decision trees equivalent to hidden layers of neural network. Based on ID3 algorithm, which dynamically generates decision tree while minimizing entropy of information. CID3 algorithm generates feedforward neural network by use of either crisp or fuzzy measure of entropy.

Cios, Krzysztof J.↗

Tree tensor network hierarchical equations of motion based on time-dependent variational principle for efficient open quantum dynamics in structured thermal environments

In this work, we introduce an efficient method, TTN-HEOM, for exactly calculating the open quantum dynamics for driven quantum systems interacting with highly structured bosonic baths by combining the tree tensor network (TTN) decomposition scheme with the bexcitonic generalization of the numerically exact hierarchical equations of motion (HEOM). The method yields a series of quantum master equations for all core tensors in the TTN that efficiently and accurately capture the open quantum dynamics for non-Markovian environments to all orders in the system–bath interaction. These master equations are constructed based on the time-dependent Dirac–Frenkel variational principle, which isolates the optimal dynamics for the core tensors given the TTN ansatz. The dynamics converges to the HEOM when increasing the rank of the core tensors, a limit in which the TTN ansatz becomes exact. We introduce TENSO, tensor equations for non-Markovian structured open systems, as a general-purpose Python code to propagate the TTN-HEOM dynamics. We implement three general propagators for the coupled master equations: two fixed-rank methods that require a constant memory footprint during the dynamics and one adaptive-rank method with a variable memory footprint controlled by the target level of computational error. We exemplify the utility of these methods by simulating a two-level system coupled to a structured bath containing one Drude–Lorentz component and eight Brownian oscillators, which is beyond what can presently be computed using the standard HEOM. Our results show that the TTN-HEOM is capable of simulating both dephasing and relaxation dynamics of driven quantum systems interacting with structured baths, even those of chemical complexity, with an affordable computational cost.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shear-Induced Gelation of Self-Yielding Active Networks

An enticing feature of active materials is the possibility of controlling macroscale rheological properties through the activity of the microscopic constituents. Using a unique combination of microscopy and rheology we study three dimensional microtubule-based active materials whose autonomous flows are powered by a continually rearranging connected network. We quantify the relationship between the microscopic dynamics and the bulk mechanical properties of these nonequilibrium networks. Experiments reveal a surprising nonmonotonic viscosity that strongly depends on the relative magnitude of the rate of internally generated activity and the externally applied shear. Here, a simple two-state mechanical model that accounts for both the solidlike and yielded fluidlike elements of the network accurately describes the rheological measurements.

36 MATERIALS SCIENCE↗

Hidden Markov Models and Neural Networks for Fault Detection

Continuous online monitoring of complex dynamic systems is common in applications as diverse as industrial plant operations, telecommunications network, and biomedical health monitoring. For monitoring purposes, the exact nature of the system under observation is typically not relevant provided there exist some measurements or symptoms which provide diagnostics information regarding the underlying system state.

Markov Fault Detection↗

Distribution of blackouts in the power grid and the Motter and Lai model

Carreras, Dobson, and colleagues have studied empirical data on the sizes of the blackouts in real grids and modeled them with computer simulations using the direct current approximation. They have found that the resulting blackout sizes are distributed as a power law and suggested that this is because the grids are driven to the self-organized critical state. In contrast, more recent studies found that the distribution of cascades is bimodal resulting in either a very small blackout or a very large blackout, engulfing a finite fraction of the system. Here we reconcile the two approaches and investigate how the distribution of the blackouts changes with model parameters, including the tolerance criteria and the dynamic rules of failure of the overloaded lines during the cascade. Finally, we study the same problem for the Motter and Lai model and find similar results, suggesting that the physical laws of flow on the network are not as important as network topology, overload conditions, and dynamic rules of failure.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Learning Based Edge Computing in Air-to-Air Communication Network

This paper studies learning-based edge computing and communication in a dynamic Air-to-Air Ad-hoc Network (AAAN). Due to spectrum scarcity, we assume the number of Air-to-Air (A2A) communication links is greater than that of the available frequency channels, such that some communication links have to share the same channel, causing co-channel interference. We formulate the joint channel selection and power control optimization problem to maximize the aggregate spectrum utilization efficiency under resource and fairness constraints. A distributed deep Q learning-based edge computing and communication algorithm is proposed to find the optimal solution. In particular, we design two different neural network structures and each communication link can converge to the optimal operation by exploiting only the local information from its neighbors, making it scalable to large networks. Finally, experimental results demonstrate the effectiveness of the proposed solution in various AAAN scenarios.

Zhe Wang↗

Structural Dynamics in UV Curable Resins Resolved by In Situ 3D Printing X-ray Photon Correlation Spectroscopy

Additive manufacturing (AM) is a promising technique to rapidly produce polymeric materials into complex 3-dimensional (3D) geometries. While AM is widespread and relevant for a range of applications, implementation in industry has outpaced our fundamental understanding of polymer dynamics and structure development during the printing process. Characterization and quantification of such dynamics is necessary to optimize final material properties and design future materials and processes for 3D printing. Here, we utilize X-ray photon correlation spectroscopy (XPCS) to measure spatial and time-resolved, out-of-equilibrium dynamics during direct ink write (DIW) 3D printing. Specifically, we investigate the progression of structural dynamics in a dual cure (UV/thermal) nanocomposite during and directly after printing. As the filament is printed and cured in situ, the relaxation processes of the cross-linking network are measured through the dynamics of inorganic filler particles. The characteristic relaxation time of the dynamics is calculated through the intensity–intensity autocorrelation function g 2 and directly correlated to the printing process parameters, such as printhead velocity and UV light intensity. The time-resolved evolution of nanoscale dynamics follows a power-law dependence as the filament is cured. Additionally, bulk rheological characterizations reveal the macroscopic solidification of the resin, providing correlation of material properties across a wide range of length and time scales. Overall, the measurement of multiscale, out-of-equilibrium dynamics provides insight into the development of structure in polymer nanocomposite filaments during 3D printing and is used to further understand the influence of such parameters on the AM process.

36 MATERIALS SCIENCE↗

The Real Time Mission Monitor: A Situational Awareness Tool For Managing Experiment Assets

The NASA Real Time Mission Monitor (RTMM) is a situational awareness tool that integrates satellite, airborne and surface data sets; weather information; model and forecast outputs; and vehicle state data (e.g., aircraft navigation, satellite tracks and instrument field-of-views) for field experiment management RTMM optimizes science and logistic decision-making during field experiments by presenting timely data and graphics to the users to improve real time situational awareness of the experiment's assets. The RTMM is proven in the field as it supported program managers, scientists, and aircraft personnel during the NASA African Monsoon Multidisciplinary Analyses experiment during summer 2006 in Cape Verde, Africa. The integration and delivery of this information is made possible through data acquisition systems, network communication links and network server resources built and managed by collaborators at NASA Dryden Flight Research Center (DFRC) and Marshall Space Flight Center (MSFC). RTMM is evolving towards a more flexible and dynamic combination of sensor ingest, network computing, and decision-making activities through the use of a service oriented architecture based on community standards and protocols.

Blakeslee, Richard↗

The NASA Real Time Mission Monitor - A Situational Awareness Tool for Conducting Tropical Cyclone Field Experiments

The NASA Real Time Mission Monitor (RTMM) is a situational awareness tool that integrates satellite, aircraft state information, airborne and surface instruments, and weather state data in to a single visualization package for real time field experiment management. RTMM optimizes science and logistic decision-making during field experiments by presenting timely data and graphics to the users to improve real time situational awareness of the experiment's assets. The RTMM is proven in the field as it supported program managers, scientists, and aircraft personnel during the NASA African Monsoon Multidisciplinary Analyses (investigated African easterly waves and Tropical Storm Debby and Helene) during August-September 2006 in Cape Verde, the Tropical Composition, Cloud and Climate Coupling experiment during July-August 2007 in Costa Rica, and the Hurricane Aerosonde mission into Hurricane Noel in 2-3 November 2007. The integration and delivery of this information is made possible through data acquisition systems, network communication links, and network server resources built and managed by collaborators at NASA Marshall Space Flight Center (MSFC) and Dryden Flight Research Center (DFRC). RTMM is evolving towards a more flexible and dynamic combination of sensor ingest, network computing, and decision-making activities through the use of a service oriented architecture based on community standards and protocols. Each field experiment presents unique challenges and opportunities for advancing the functionality of RTMM. A description of RTMM, the missions it has supported, and its new features that are under development will be presented.

Goodman, Michael↗

Active and Transfer Learning of High-Dimensional Neural Network Potentials for Transition Metals

Classical molecular dynamics (MD) simulations represent a very popular and powerful tool for materials modeling and design. The predictive power of MD hinges on the ability of the interatomic potential to capture the underlying physics and chemistry. There have been decades of seminal work on developing interatomic potentials, albeit with a focus predominantly on capturing the properties of bulk materials. Such physics-based models, while extensively deployed for predicting the dynamics and properties of nanoscale systems over the past two decades, tend to perform poorly in predicting nanoscale potential energy surfaces (PESs) when compared to high-fidelity first-principles calculations. These limitations stem from the lack of flexibility in such models, which rely on a predefined functional form. Machine learning (ML) models and approaches have emerged as a viable alternative to capture the diverse size-dependent cluster geometries, nanoscale dynamics, and the complex nanoscale PESs, without sacrificing the bulk properties. Here, in this study, we introduce an ML workflow that combines transfer and active learning strategies to develop high-dimensional neural networks (NNs) for capturing the cluster and bulk properties for several different transition metals with applications in catalysis, microelectronics, and energy storage, to name a few. Our NN first learns the bulk PES from the high-quality physics-based models in literature and subsequently augments this learning via retraining with a higher-fidelity first-principles training data set to concurrently capture both the nanoscale and bulk PES. Our workflow departs from status-quo in its ability to learn from a sparsely sampled data set that nonetheless covers a diverse range of cluster configurations from near-equilibrium to highly nonequilibrium as well as learning strategies that iteratively improve the fingerprinting depending on model fidelity. All the developed models are rigorously tested against an extensive first-principles data set of energies and forces of cluster configurations as well as several properties of bulk configurations for 10 different transition metals. Our approach is material agnostic and provides a methodology to transfer and build upon the learnings from decades of seminal work in molecular simulations on to a new generation of ML-trained potentials to accelerate materials discovery and design.

36 MATERIALS SCIENCE↗

Dynamic heterogeneity and nanophase separation in rubber-toughened amine-cured highly cross-linked polymer networks

Solid state nuclear magnetic resonance (NMR) spectroscopy and small-to wide-angle X-ray scattering (SWAXS) methods were used to characterize the heterogeneous dynamics and polymer domain structure in rubber modified thermoset materials containing the diglycidyl ether of bisphenol A (DGEBA) epoxy resin and a mixture of Jeffamine reactive rubber and 4,4-diaminodicyclohexylmethane (PACM) amine curing agent. The polymer chain dynamics and morphologies as a function of the PACM/Jeffamine ratio were determined. Using dipolar-filtered NMR experiments, the resulting networks are shown to be composed of mobile and rigid regions that are separated on nanometer length scales, along with a dynamically immobilized interface region. Proton NMR spin diffusion experiments measured the dimensions of the mobile phase to range between 9 and 66 nm and varied with the relative PACM concentration. Solid state 13 C magic angle spinning NMR experiments show that the highly mobile phase is composed entirely of the dynamically flexible polyether chains of the Jeffamine rubber, the immobilized interface region is a mixture of DGEBA, PACM, and the Jeffamine rubber, with the PACM cross-linked to DGEBA predominantly residing in the rigid phase. The SWAXS results showed compositional nanophase separation spanning the 11–77 nm range. These measurements of the nanoscale compositional and dynamic heterogeneity provide molecular level insight into the very broad and controllable glass transition temperature distributions observed for these highly cross-linked polymer networks.

36 MATERIALS SCIENCE↗