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

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At least 163 records · Page 9

What we have learned from the magnetosphere

Three significant discoveries resulting from recent studies of earth's magnetosphere are discussed: (1) the central role of magnetic-field-line reconnection in determining the topology, geometry, and dynamics of the magnetosphere; (2) the realization that auroral arcs result from coupling of solar-wind stresses to the ionosphere and neutral atmosphere; and (3) the role of plasma turbulence in affecting both the microscopic state and macroscopic observables of the magnetospheric plasma. Magnetic-field-line reconnection is described in terms of Dungey's (1961) model of the magnetosphere, a simple picture of magnetic-substorm evolution is outlined, and questions concerning the reconnection rate are considered. The production of aurorae by field-aligned electron beams is examined, and an analogy is made between earth's magnetosphere and that of a pulsar with aligned dipole and spin axes. Plasma-turbulence problems are reviewed which concern anomalously fast electron and proton losses from the Van Allen belts, whistler-electron interactions, and anomalous resistance in auroral arcs. The Pioneer 10 encounter with Jupiter's magnetosphere is briefly noted.

Kennel, C. F.↗

The distribution of singly ionized ionospheric helium from 304 A backscatter observations

The theoretical distribution of helium ions in the ionosphere is studied as a function of such ionospheric parameters as the remaining ion composition and distribution, temperature, magnetic field topology, and ionospheric dynamics. An attempt is made to verify the theoretical predictions of the H(+) distribution in the ionosphere on the basis of observations of 304 A radiation resonantly scattered from He(+).

Chakrabarti, S.↗

Tracking flow features using overset grids

A method is proposed to use overset grid topology to track dynamic flow features. Features of interest such as moving shock waves and vortices are overset with relatively fine tracker grids. Solutions are computed on the various grids and information is exchanged at intergrid boundaries. A grid track-sensor variable such as pressure is used to track the position of the flow feature to be resolved. The tracker grid is moved to the position where the track-sensor variable has the desired value (generally a maximum or a minimum) and new interpolation coefficients are computed for information exchange across grid boundaries. Solutions are computed at the current location and time-step, and grid motion is brought into the solution via time metrics. The method is demonstrated by tracking a moving shock and vortices shed behind a circular cylinder. It is conjectured that the method would show significant benefits in resolving features such as wakes behind oscillating airfoils and trajectories of jets issuing from rotating nozzles as encountered during thrust-vectoring.

Chawla, Kalpana↗

Topology induced crossover between Langevin, subdiffusion, and Brownian diffusion regimes in supercooled water

Despite extensive studies of supercooled water, it remains challenging to understand its peculiar dynamic anomalous properties. In this work, we integrated full atomistic simulations of supercooled water over the temperature range of room temperature to 200 K using a quantum-mechanics-based polarizable force field with the dressed dynamics method that couples fast collision events and slow reorganization dynamics of hydrogen-bond networks. Our analysis unveils the salient multiscale features in the transient relaxation dynamics of supercooled water. A classical Langevin behavior dominates at fast timescales, while long-time relaxations unveil two different activation barriers in two temperature regions: below and above 230 K. The modulation of the entropy spectrum by temperature is elucidated in terms of a three-state model underlined by the complexity of the water dynamics associated with a topological transition of a strong hydrogen-bond network. This state-dependent network topology is quantitatively characterized by power-law exponents of inverse network connectivity from 200 to 298 K. Finally, this work provides valuable guidance for further studies on the transient relaxation dynamics of supercooled water.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ToPolyAgent: AI agents for coarse-grained bead-spring topological polymer simulations

We introduce ToPolyAgent, a multi-agent AI framework for performing coarse-grained molecular dynamics (MD) simulations of topological polymers through natural language instructions. By integrating large language models (LLMs) with domain-specific computational tools, ToPolyAgent supports both interactive and autonomous simulation workflows across diverse polymer architectures, including linear, ring, brush, and star polymers, as well as dendrimers. The system consists of four LLM-powered agents: a Config Agent for generating initial polymer–solvent configurations, a Simulation Agent for executing LAMMPS-based MD simulations and conformational analyses, a Report Agent for compiling markdown reports, and a Workflow Agent for streamlined autonomous operations. Interactive mode incorporates user feedback loops for iterative refinements, while autonomous mode enables end-to-end task execution from detailed prompts. We demonstrate ToPolyAgent's versatility through case studies involving diverse polymer architectures under varying solvent conditions, thermostats, and simulation lengths. Furthermore, we highlight its potential as a research assistant by directing it to investigate the effect of interaction parameters on the linear polymer conformation, and the influence of grafting density on the persistence length of the brush polymer. By coupling natural language interfaces with rigorous simulation tools, ToPolyAgent lowers barriers to complex computational workflows and advances AI-driven materials discovery in polymer science. It lays the foundation for autonomous and extensible multi-agent scientific research ecosystems.

Ding, Lijie [Oak Ridge National Laboratory (ORNL),↗

Core reactivity estimation in space reactors using recurrent dynamic networks

A recurrent multilayer perceptron network topology is used in the identification of nonlinear dynamic systems from only the input/output measurements. The identification is performed in the discrete time domain, with the learning algorithm being a modified form of the back propagation (BP) rule. The recurrent dynamic network (RDN) developed is applied for the total core reactivity prediction of a spacecraft reactor from only neutronic power level measurements. Results indicate that the RDN can reproduce the nonlinear response of the reactor while keeping the number of nodes roughly equal to the relative order of the system. As accuracy requirements are increased, the number of required nodes also increases, however, the order of the RDN necessary to obtain such results is still in the same order of magnitude as the order of the mathematical model of the system. It is believed that use of the recurrent MLP structure with a variety of different learning algorithms may prove useful in utilizing artificial neural networks for recognition, classification, and prediction of dynamic systems.

Parlos, Alexander G.↗

Flexible dynamic boundary microgrid operation considering network and load unbalances

Flexible microgrids with dynamic boundaries have recently been introduced in the literature. With the ability to reconfigure the topology of the microgrids dynamically through remotely controlled switches, flexible microgrids with dynamic boundaries can further improve the resiliency and energy efficiency of microgrids with distributed energy resources (DERs). This paper focuses on the optimal operation considering one of the predominant characteristics of microgrids and distribution systems – unbalanced networks and loads. In existing literature, balanced modeling of microgrids is more common due to its attractive simplicity. The three-phase power unbalance has not been considered as a constraint on the generation units in a microgrid. Further, negative sequence constraints have also been neglected. In this article, we propose a set of constraints that is specifically related to the capabilities of inverter interfaced resources to supply unbalanced current/power when the microgrid is islanded from the main distribution grid. We incorporate the new set of constraints into two optimization formulations leveraging two convex relaxations of the three-phase power flow equations: mixed-integer linear programming (MILP) and mixed-integer semidefinite programming (MISDP) that optimize the dispatch of controllable switches and DERs in the microgrid. The algorithms are then extended to networked microgrids with grid-forming sources. We test the algorithms on a realistic community microgrid model in Puerto Rico as well as standardized IEEE distribution test feeders. The testing results demonstrate the performance of the proposed algorithms. The MILP is fast and scalable, and the MISDP enforces the negative sequence voltage constraints.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Flexspander: augmenting expander networks in high-performance systems with optical bandwidth steering

Communication efficiency is one of the deciding factors in determining many of today’s high-performance computing (HPC) applications. Traditionally, HPC systems have been on static network topologies, making them inflexible to the variety of skewed traffic demands that may arise due to the spatial locality inherent in many applications. To handle traffic locality, researchers have proposed integrating optical circuit switches (OCSs) into the network architecture, which reconfigures the network topology to alter and dynamically adapt to the predicted traffic. In this paper, we present a novel reconfigurable network topology called Flexspander. Beyond offering a flexible interconnect, Flexspander also offers full flexibility in terms of construction and can be built with any arbitrary combination of commercial electrical packet switches and OCSs. We evaluate Flexspander performance through extensive simulations with multiple network traces, and our results show improved performance for Flexspander over currently proposed static and reconfigurable topologies in terms of the flow completion time.

Teh, Min Yee↗

Constraint Embedding Technique for Multibody System Dynamics

Multibody dynamics play a critical role in simulation testbeds for space missions. There has been a considerable interest in the development of efficient computational algorithms for solving the dynamics of multibody systems. Mass matrix factorization and inversion techniques and the O(N) class of forward dynamics algorithms developed using a spatial operator algebra stand out as important breakthrough on this front. Techniques such as these provide the efficient algorithms and methods for the application and implementation of such multibody dynamics models. However, these methods are limited only to tree-topology multibody systems. Closed-chain topology systems require different techniques that are not as efficient or as broad as those for tree-topology systems. The closed-chain forward dynamics approach consists of treating the closed-chain topology as a tree-topology system subject to additional closure constraints. The resulting forward dynamics solution consists of: (a) ignoring the closure constraints and using the O(N) algorithm to solve for the free unconstrained accelerations for the system; (b) using the tree-topology solution to compute a correction force to enforce the closure constraints; and (c) correcting the unconstrained accelerations with correction accelerations resulting from the correction forces. This constraint-embedding technique shows how to use direct embedding to eliminate local closure-loops in the system and effectively convert the system back to a tree-topology system. At this point, standard tree-topology techniques can be brought to bear on the problem. The approach uses a spatial operator algebra approach to formulating the equations of motion. The operators are block-partitioned around the local body subgroups to convert them into aggregate bodies. Mass matrix operator factorization and inversion techniques are applied to the reformulated tree-topology system. Thus in essence, the new technique allows conversion of a system with closure-constraints into an equivalent tree-topology system, and thus allows one to take advantage of the host of techniques available to the latter class of systems. This technology is highly suitable for the class of multibody systems where the closure-constraints are local, i.e., where they are confined to small groupings of bodies within the system. Important examples of such local closure-constraints are constraints associated with four-bar linkages, geared motors, differential suspensions, etc. One can eliminate these closure-constraints and convert the system into a tree-topology system by embedding the constraints directly into the system dynamics and effectively replacing the body groupings with virtual aggregate bodies. Once eliminated, one can apply the well-known results and algorithms for tree-topology systems to solve the dynamics of such closed-chain system.

Woo, Simon S.↗

Hydrodynamic Interactions in Topologically Linked Ring Polymers.

Despite decades of interdisciplinary research on topologically linked ring polymers, their dynamics remain largely unstudied. These systems represent a major scientific challenge as they are often subject to both topological and hydrodynamic interactions (HI), which render dynamical solutions either mathematically intractable or computationally prohibitive. Here we circumvent these limitations by preaveraging the HI of linked rings. We show that the symmetry of ring polymers leads to a hydrodynamic decoupling of ring dynamics. This decoupling is valid even for nonideal polymers and nonequilibrium conditions. Physically, our findings suggest that the effects of topology and HI are nearly independent and do not act cooperatively to influence polymer dynamics. We use this result to develop highly efficient Brownian dynamics algorithms that offer enormous performance improvements over conventional methods and apply these algorithms to simulate catenated ring polymers at equilibrium, confirming the independence of topological effects and HI. The methods developed here can be used to study and simulate large systems of linked rings with HI, including kinetoplast DNA, Olympic gels, and poly[n]catenanes.

Rauscher, Phillip M.↗

Defect Spirograph: Dynamical Behavior of Defects in Spatially Patterned Active Nematics

We report that topological defects in active liquid crystals can be confined by introducing gradients of activity. Here, we examine the dynamical behavior of two defects confined by a sharp gradient of activity that separates an active circular region and a surrounding passive nematic material. Continuum simulations are used to explain how the interplay among energy injection into the system, hydrodynamic interactions, and frictional forces governs the dynamics of topologically required self-propelling + 1/2 defects. Our findings are rationalized in terms of a phase diagram for the dynamical response of defects in terms of activity and frictional damping strength. Different regions of the underlying phase diagram correspond to distinct dynamical modes, namely immobile defects, steady rotation of defects, bouncing defects, bouncing-cruising defects, dancing defects, and multiple defects with irregular dynamics. These dynamic states raise the prospect of generating synchronized defect arrays for microfluidic applications.

36 MATERIALS SCIENCE↗

Evidence of Magnon-Mediated Orbital Magnetism in a Quasi-2D Topological Magnon Insulator

Here, we explore spin dynamics in Cu(1,3-bdc), a quasi-2D topological magnon insulator. The results show that the thermal evolution of the Landé $\textit{g}$ factor ($\textit{g}$) is anisotropic: $g_{\text{in-plane}}$ decreases while $g_{\text{out-of-plane}}$ increases with increasing temperature $\textit{T}$. Moreover, the anisotropy of the $\textit{g}$ factor (Δ$\textit{g}$) and the anisotropy of saturation magnetization ($ΔM_s$) are correlated below 4 K, but they diverge above 4 K. We show that the electronic orbital moment contributes to the g anisotropy at lower $\textit{T}$, while the topological orbital moment induced by thermally excited spin chirality dictates the g anisotropy at higher $\textit{T}$. Our work suggests an interplay among topology, spin chirality, and orbital magnetism in Cu(1,3-bdc).

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Dynamics of Quantum Phase Transitions

This presentation covers a study of the formation of topological defects and excitations in dynamical (quenched) quantum phase transitions (theory, numerics, & BEC experiment). The FY20 main accomplishment has been the establishment of the role of the “sonic horizon” in the Kibble-Zurek mechanism (KZM). Experimental aspects of the study, such as the numerical simulation of the expected dynamics) have been “on hold” due to COVID. Plans for the future entail studying the dynamics of quantum phase transition in 2D quantum Ising, as well as a BEC miscibility/immiscibility phase transition experiment (COVID permitting). The mission impact of this study is a contribution to LANL's “Science Discovery and Innovation” mission, e.g. to “Information Science and Technology”. (D-Wave is a dynamical phase transition.)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nematic Colloidal Micro‐Robots as Physically Intelligent Systems

Abstract Physically intelligent micro‐robotic systems exploit information embedded in micro‐robots, their colloidal cargo, and their milieu to interact, assemble, and form functional structures. Nonlinear anisotropic fluids such as nematic liquid crystals (NLCs) provide untapped opportunities to embed interactions via their topological defects, complex elastic responses, and ability to dramatically restructure in dynamic settings. Here a four‐armed ferromagnetic micro‐robot is designed and fabricated to embed and dynamically reconfigure information in the nematic director field, generating a suite of physical interactions for cargo manipulation. The micro‐robot shape and surface chemistry are designed to generate a nemato‐elastic energy landscape in the domain that defines multiple modes of emergent, bottom‐up interactions with passive colloids. Micro‐robot rotation expands the ability to sculpt interactions; the energy landscape around a rotating micro‐robot is dynamically reconfigured by complex far‐from‐equilibrium dynamics of the micro‐robot's companion topological defect. These defect dynamics allow transient information to be programmed into the domain and exploited. Robust micro‐robotic manipulation strategies are demonstrated that exploit these diverse modes of nemato‐elastic interaction to achieve cargo docking, transport, release, and assembly of complex reconfigurable structures at multi‐stable sites. Such structures are of great interest to future developments of LC‐based advanced optical device and micro‐manufacturing in anisotropic environments.

Yao, Tianyi↗

Efficient Topology Design Algorithms for Power Grid Stability

The dynamic response of power grids to small disturbances influences their overall stability. This letter examines the effect of network topology on the linearized time-invariant dynamics of electric power systems. The proposed framework utilizes H 2 -norm based stability metrics to study the optimal placement of lines on existing networks as well as the topology design of new networks. The design task is first posed as an NP-hard mixed-integer nonlinear program (MINLP) that is exactly reformulated as a mixed-integer linear program (MILP) using McCormick linearization. To improve computation time, graph-theoretic properties are exploited to derive valid inequalities (cuts) and tighten bounds on the continuous optimization variables. Moreover, a cutting plane generation procedure is put forth that is able to interject the MILP solver and augment additional constraints to the problem on-the-fly. Finally, the efficacy of our approach in designing optimal grid topologies is demonstrated through numerical tests on the IEEE 39-bus network.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Electric-field control of the nucleation and motion of isolated three-fold polar vertices

Recently various topological polar structures have been discovered in oxide thin films. Despite the increasing evidence of their switchability under electrical and/or mechanical fields, the dynamic property of isolated ones, which is usually required for applications such as data storage, is still absent. Here, we show the controlled nucleation and motion of isolated three-fold vertices under an applied electric field. At the PbTiO 3 /SrRuO 3 interface, a two-unit-cell thick SrTiO 3 layer provides electrical boundary conditions for the formation of three-fold vertices. Utilizing the SrTiO 3 layer and in situ electrical testing system, we find that isolated three-fold vertices can move in a controllable and reversible manner with a velocity up to ~629 nm s -1 . Microstructural evolution of the nucleation and propagation of isolated three-fold vertices is further revealed by phase-field simulations. This work demonstrates the ability to electrically manipulate isolated three-fold vertices, shedding light on the dynamic property of isolated topological polar structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Synthetically non-Hermitian nonlinear wave-like behavior in a topological mechanical metamaterial

Topological mechanical metamaterials have enabled new ways to control stress and deformation propagation. Exemplified by Maxwell lattices, they have been studied extensively using a linearized formalism. Herein, we study a two-dimensional topological Maxwell lattice by exploring its large deformation quasi-static response using geometric numerical simulations and experiments. We observe spatial nonlinear wave-like phenomena such as harmonic generation, localized domain switching, amplification-enhanced frequency conversion, and solitary waves. We further map our linearized, homogenized system to a non-Hermitian, nonreciprocal, one-dimensional wave equation, revealing an equivalence between the deformation fields of two-dimensional topological Maxwell lattices and nonlinear dynamical phenomena in one-dimensional active systems. Our study opens a regime for topological mechanical metamaterials and expands their application potential in areas including adaptive and smart materials and mechanical logic, wherein concepts from nonlinear dynamics may be used to create intricate, tailored spatial deformation and stress fields greatly transcending conventional elasticity.

36 MATERIALS SCIENCE↗