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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 1,477 records · Page 82
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantum Versus Classical Switching Dynamics of Driven Dissipative Kerr Resonators

Here, we report a first-principles study of the driven dissipative dynamics for Kerr oscillators in the mesoscopic regime. This regime is characterized by large Kerr nonlinearity, realized here using the nonlinear kinetic inductance of a large array of Josephson junctions. The experimentally measured nonlinear resonance lineshapes of the junction array modes show significant deviations from steady-state numerical predictions, and necessitate time-dependent numerical simulations indicative of strong measurement-induced dephasing in the system arising from the large cross-Kerr effect between array modes. Analytical and numerical calculations of switching rate corroborate this by showing the emergence of a slow time scale, which is much longer than the linear decay rate and is set by fluctuation-induced switching times in the bistable regime. Furthermore, our analysis shows that the usual quantum-activated escape treatment is inadequate for prediction of the switching rates at large frequency shifts caused by strong nonlinearities, necessitating a quantum treatment that utilizes the full system Liouvillian. Based on our analysis, we identify a universal crossover parameter that delineates the regimes of validity of semiclassical and quantum descriptions, respectively. Our work shows how dynamical switching effects in strongly nonlinear systems provide a platform to study quantum-to-classical transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Capturing dynamical correlations using implicit neural representations

Abstract Understanding the nature and origin of collective excitations in materials is of fundamental importance for unraveling the underlying physics of a many-body system. Excitation spectra are usually obtained by measuring the dynamical structure factor, S ( Q , ω ), using inelastic neutron or x-ray scattering techniques and are analyzed by comparing the experimental results against calculated predictions. We introduce a data-driven analysis tool which leverages ‘neural implicit representations’ that are specifically tailored for handling spectrographic measurements and are able to efficiently obtain unknown parameters from experimental data via automatic differentiation. In this work, we employ linear spin wave theory simulations to train a machine learning platform, enabling precise exchange parameter extraction from inelastic neutron scattering data on the square-lattice spin-1 antiferromagnet La 2 NiO 4 , showcasing a viable pathway towards automatic refinement of advanced models for ordered magnetic systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Preserving nonlinear constraints in variational flow filtering data assimilation

Data assimilation aims to estimate the states of a dynamical system by optimally combining sparse and noisy observations of the physical system with uncertain forecasts produced by a computational model. The states of many dynamical systems of interest obey nonlinear physical constraints, and the corresponding dynamics is confined to a certain sub-manifold of the state space. Standard data assimilation techniques applied to such systems yield posterior states lying outside the manifold, violating the physical constraints. This work focuses on particle flow filters which use stochastic differential equations to evolve state samples from a prior distribution to samples from an observation-informed posterior distribution. The variational Fokker-Planck (VFP)—a generic particle flow filtering framework—is extended to incorporate non-linear, equality state constraints in the analysis. To this end, two algorithmic approaches that modify the VFP stochastic differential equation are discussed: (i) VFPSTAB, to inexactly preserve constraints with the addition of a stabilizing drift term, and (ii) VFPDAE, to exactly preserve constraints by treating the VFP dynamics as a stochastic differential-algebraic equation (SDAE). Additionally, an implicit-explicit time integrator is developed to evolve the VFPDAE dynamics. The strength of the proposed approach for constraint preservation in data assimilation is demonstrated on three test problems: the double pendulum, Korteweg-de-Vries, and the incompressible Navier-Stokes equations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Dynamics of trusses having nonlinear joints

The transient analysis of trusses having nonlinear joints can be accomplished using the residual force technique. The technique was applied a two degree of freedom spring mass system, a four bay planar truss, and an actual ten bay deployable truss. Joints chosen for analysis were the nonlinear gap joints and the linear Voigt joints. Results from the nonlinear gap analyses generally indicate that coupling between the modes can display some interesting effects during free vibration. One particularly interesting effect was that the damping of the structure appeared to be higher than could be accounted for from modal damping alone. Energy transferral from the lower to the higher modes was found to exist as a result of the modal coupling. The apparently increased damping was due to the fact that the energy transferred to the higher modes is inherently dissipated more quickly. Another interesting phenomenon was that the lower modes could drive the higher modes even during free vibration and that these modes could display a rather large quasi-steady state behavior even when modal damping was present. Gaps were also found to increase the amplitude and period of the free vibration response as expected.

Chapman, J. M.↗
NASA NTRS1992

Decentralized-feedback pole placement of linear systems

A projectile product spaces model is used to analyze decentralized systems. The degree of the pole placement map is computed. The conditions under which the degree is odd are also given. Twin lift systems are studied. It is proved that the poles of a twin lift system can be assigned to any values by local static and local dynamic feedback laws if and only if the system is jointly controllable.

Wang, X.↗
DOE OSTI2022

Investigation of the thermal conductivity of molten LiF-NaF-KF with experiments, theory, and equilibrium molecular dynamics

Molten salts are being proposed for numerous advanced energy applications, including advanced nuclear reactors, concentrating solar power plants, thermal energy storage, and fusion reactors. Accurate knowledge of the thermophysical properties of molten salts directly impact the performance of these energy systems and are essential for design and safety analyses. Thermal conductivity data for fluoride molten salts and mixtures are especially lacking. In this work, experimental measurements of thermal conductivity using the steady-state variable gap technique were performed on eutectic LiF-NaF-KF from 834 to 1195 K. The experiment accounts for radiative, convective, and conductive heat losses. In addition, theoretical and molecular dynamics models are used, from 750 K up to 1300 K, to estimate the thermal conductivity for comparison with the experimental results. The results of experiments show a weak negative deviation of thermal conductivity with temperature, unlike previous experimental results in the literature. The measured thermal conductivity magnitudes agree with the theoretical and molecular dynamics predictions, aside from the data above 1100 K, where heat losses and radiative errors are the most significant, having a 16% maximum deviation from theory. These experimental results provide new thermal conductivity data for the LiF-NaF-KF system and further validation of the predictive models. The theoretical model was used to map the composition and temperature dependent thermal conductivity of LiF-NaF-KF and the mapping’s deviation from a linear additivity estimation of thermal conductivity. Additionally, this mapping showed the highest deviations from linearity for KF-LiF rich mixtures and increasing deviation with temperature. Notably, the deviation from linearity near the LiF-NaF-KF eutectic composition was around 25%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

From neural-based object recognition toward microelectronic eyes

Engineering neural network systems are best known for their abilities to adapt to the changing characteristics of the surrounding environment by adjusting system parameter values during the learning process. Rapid advances in analog current-mode design techniques have made possible the implementation of major neural network functions in custom VLSI chips. An electrically programmable analog synapse cell with large dynamic range can be realized in a compact silicon area. New designs of the synapse cells, neurons, and analog processor are presented. A synapse cell based on Gilbert multiplier structure can perform the linear multiplication for back-propagation networks. A double differential-pair synapse cell can perform the Gaussian function for radial-basis network. The synapse cells can be biased in the strong inversion region for high-speed operation or biased in the subthreshold region for low-power operation. The voltage gain of the sigmoid-function neurons is externally adjustable which greatly facilitates the search of optimal solutions in certain networks. Various building blocks can be intelligently connected to form useful industrial applications. Efficient data communication is a key system-level design issue for large-scale networks. We also present analog neural processors based on perceptron architecture and Hopfield network for communication applications. Biologically inspired neural networks have played an important role towards the creation of powerful intelligent machines. Accuracy, limitations, and prospects of analog current-mode design of the biologically inspired vision processing chips and cellular neural network chips are key design issues.

Sheu, Bing J.↗
DOE OSTI2021

AENET–LAMMPS and AENET–TINKER : Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular dynamics and Monte Carlo simulations, an integration of the MLPs with sampling software is needed. Here, we develop two interfaces that link the atomic energy network (ænet) MLP package with the popular sampling packages TINKER and LAMMPS. The three packages, ænet, TINKER, and LAMMPS, are free and open-source software that enable, in combination, accurate simulations of large and complex systems with low computational cost that scales linearly with the number of atoms. Scaling tests show that the parallel efficiency of the ænet–TINKER interface is nearly optimal but is limited to shared-memory systems. The ænet–LAMMPS interface achieves excellent parallel efficiency on highly parallel distributed memory systems and benefits from the highly optimized neighbor list implemented in LAMMPS. We demonstrate the utility of the two MLP interfaces for two relevant example applications: the investigation of diffusion phenomena in liquid water and the equilibration of nanostructured amorphous battery materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Control of Fractional Diffusion Problems via Dynamic Programming Equations

In this study, we explore the approximation of feedback control of integro-differential equations containing a fractional Laplacian term. To obtain feedback control for the state variable of this nonlocal equation, we use the Hamilton–Jacobi–Bellman equation. It is well known that this approach suffers from the curse of dimensionality, and to mitigate this problem we couple semi-Lagrangian schemes for the discretization of the dynamic programming principle with the use of Shepard approximation. This coupling enables approximation of high-dimensional problems. Numerical convergence toward the solution of the continuous problem is provided together with linear and nonlinear examples. The robustness of the method with respect to disturbances of the system is illustrated by comparisons with an open-loop control approach.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

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),↗
DOE OSTI2024

Resistive hose modes in tokamak runaway electron beams

Beams of energetic runaway electrons are generated during disruptions in tokamaks, and fluid models are used to study their effects on macroscale dynamics. Linear computations of a massless, runaway electron beam coupled to MHD plasma show that resistive hose instabilities grow faster than tearing modes at large resistivity. Eigenvalue results with reduced models of the resistive hose instability are compared with results from the full MHD and beam system, showing that the resistive hose decouples from any plasma response. An estimate of plasma temperature at which growth of the resistive hose dominates tearing for post-disruption DIII-D plasma parameters is in a physically relevant regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Capacitive response of biological membranes

We present a minimal model to analyze the capacitive response of a biological membrane subjected to a step voltage via blocking electrodes. Through a perturbative analysis of the underlying electrolyte transport equations, we show that the leading-order relaxation of the transmembrane potential is governed by a capacitive timescale, τ_{C}=λ_{D}L/D(2+Γδ^{M}/L/4+Γδ^{M}/λ_{D}), where λ_{D} is the Debye screening length, L is the electrolyte width, Γ is the ratio of the permittivity of the electrolyte to the membrane, δ^{M} is the membrane thickness, and D is the ionic diffusivity. This timescale is considerably shorter than the traditional RC timescale λ_{D}L/D for a bare electrolyte due to the membrane's low permittivity and finite thickness. Beyond the linear regime, however, salt diffusion in the bulk electrolyte drives a secondary, nonlinear relaxation process of the transmembrane potential over a longer timescale τ_{L}=L^{2}/4π^{2}D. A simple equivalent-circuit model accurately captures the linear behavior, and the perturbation expansion remains applicable across the entire range of observed physiological transmembrane potentials. Together, these findings underscore the importance of the faster capacitive timescale and nonlinear effects on the bulk diffusion timescale in determining transmembrane potential dynamics for a range of biological systems.

Farhadi, Jafar↗
DOE OSTI2020

Development of Control System Functional Capabilities within the IES Plug-and-Play Simulation Environment

The concept of an Integrated Energy System (IES) is meant to combine different energy technologies in synergistic ways to achieve a more secure and economical energy supply. The RAVEN-based HYBRID framework is used to find the optimal installed capacity and the optimal economical dispatch of each component of the IES. A new RAVEN (Risk Analysis Virtual ENvironment) plugin for grid and capacity optimization (HERON) has been developed for optimizing the production variables of the IES given the demand profile. Currently, only the limits that affect the production variables and their corresponding time rates of change are considered (explicit constraints). However, other variables are additionally subject to constraints, but the associated limits are not accounted for (implicit constraints). In particular, for the power dispatch problem, the optimization algorithm takes into account the limits on the electrical power output and the corresponding hourly power variations but does not consider other constraints on process variables whose response effects the service life of the IES. This report describes a scheme that allows accounting for implicit constraints without increasing the size of the optimization problem. The Reference Governor (RG) algorithm is traditionally used for enforcing state and control constraints by modifying the set-point trajectories supplied to the feedback regulators. In our application, the RG is coupled within an iterative loop with the HERON-power dispatcher to generate optimal trajectories that ensure the operational constraints are met. A data-driven procedure to derive a representation of the dynamics of the controlled system was developed. First, the variables that represented the state of the system are selected (PCA-based approach), and then state-space representation matrices are derived from the collected measurements (DMDc algorithm). A preliminary version of the developed workflow based on Linear Time Invariant matrices was assessed by adopting a two-unit test case. More sophisticated versions of this workflow foreseeing the on-line derivation of system matrices will be deployed in FY 2021. Finally, a “plug-and-play” library of controllers and state observers was developed in Dymola. Some aspects of the current configuration of the IES unit components, e.g., the encapsulation of the control schemes into dedicated blocks, are consistent with the “plug-and-play” philosophy. Other features, e.g., the system buses collecting the input and the output variables, are not. For this reason, once listed and described the limits of the current configuration, necessary modifications to the plant model interface are presented. As a test-case, the interfaces of the SES model in the RAVEN-based HYBRID framework were reworked accordingly, and two different control schemes were applied to the same plant model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1971

Dynamic behavior of the mercury damper

The dynamic behavior of the mercury nutation damper is investigated. Particular attention is paid to the eccentric annular mercury configuration, which is the final continuous ring phase that occurs in the operation of all mercury dampers. In this phase, damping is poorest, and the system is closely linear. During the investigation, the hydrodynamic problem is treated as three dimensional, and extensive use is made of a variational principle of least-viscous frictional power loss. A variational principle of least-constraint is also used to advantage. Formulas for calculating the behavior of the mercury damper are obtained. Some confirmatory experiments were performed with transparent ring channels on a laboratory gyroscope. Selected movie frames taken during wobble damping are shown along with the results of film measurements.

Crout, P. D.↗
NASA NTRS1973

A manual control theory analysis of vertical situation displays for STOL aircraft

Pilot-vehicle-display systems theory is applied to the analysis of proposed vertical situation displays for manual control in approach-to-landing of a STOL aircraft. The effects of display variables on pilot workload and on total closed-loop system performance was calculated using an optimal-control model for the human operator. The steep approach of an augmentor wing jet STOL aircraft was analyzed. Both random turbulence and mean-wind shears were considered. Linearized perturbation equations were used to describe longitudinal and lateral dynamics of the aircraft. The basic display configuration was one that abstracted the essential status information (including glide-slope and localizer errors) of an EADI display. Proposed flight director displays for both longitudinal and lateral control were also investigated.

Baron, S.↗
NASA NTRS1976

Regions of constrained maximum likelihood parameter identifiability

This short paper considers the parameter-identification problem of general discrete-time, nonlinear, multiple input-multiple output dynamic systems with Gaussian white distributed measurement errors. Knowledge of the system parameterization is assumed to be available. Regions of constrained maximum likelihood (CML) parameter identifiability are established. A computation procedure employing interval arithmetic is proposed for finding explicit regions of parameter identifiability for the case of linear systems.

Lee, C.-H.↗
NASA NTRS1987

Control-System Design Program

Control-theory design package, Optimal Regulator Algorithms for Control of Linear Systems (ORACLS), developed to aid in design of controllers and optimal filters for systems modeled by linear, time-invariant differential and difference equations. Optimal linear quadratic regulator theory, Linear-Quadratic-Gaussian (LQG) problem, most widely accepted method of determining optimal control policy. Provides for solution to time-in-variant continuous or discrete LQG problems. Attractive to control-system designer providing rigorous tool for dealing with multi-input and multi-output dynamic systems in continuous and discrete form. CDO version written in FORTRAN IV. VAX version written in FORTRAN 77.

Frisch, Harold P.↗
NASA NTRS1990

General Rotorcraft Aeromechanical Stability Program (GRASP): Theory manual

The general rotorcraft aeromechanical stability program (GRASP) was developed to calculate aeroelastic stability for rotorcraft in hovering flight, vertical flight, and ground contact conditions. GRASP is described in terms of its capabilities and its philosophy of modeling. The equations of motion that govern the physical system are described, as well as the analytical approximations used to derive them. The equations include the kinematical equation, the element equations, and the constraint equations. In addition, the solution procedures used by GRASP are described. GRASP is capable of treating the nonlinear static and linearized dynamic behavior of structures represented by arbitrary collections of rigid-body and beam elements. These elements may be connected in an arbitrary fashion, and are permitted to have large relative motions. The main limitation of this analysis is that periodic coefficient effects are not treated, restricting rotorcraft flight conditions to hover, axial flight, and ground contact. Instead of following the methods employed in other rotorcraft programs. GRASP is designed to be a hybrid of the finite-element method and the multibody methods used in spacecraft analysis. GRASP differs from traditional finite-element programs by allowing multiple levels of substructure in which the substructures can move and/or rotate relative to others with no small-angle approximations. This capability facilitates the modeling of rotorcraft structures, including the rotating/nonrotating interface and the details of the blade/root kinematics for various types. GRASP differs from traditional multibody programs by considering aeroelastic effects, including inflow dynamics (simple unsteady aerodynamics) and nonlinear aerodynamic coefficients.

Hodges, Dewey H.↗